data_19681 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; NMR structure of E. coli LpoB ; _BMRB_accession_number 19681 _BMRB_flat_file_name bmr19681.str _Entry_type original _Submission_date 2013-12-13 _Accession_date 2013-12-13 _Entry_origination author _NMR_STAR_version 2.1.1 _Experimental_method NMR _Details 'Ensemble of 20 NMR structures of E. coli LpoB after refinement in water' loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Egan Alexander J.F. . 2 Jean Nicolas L. . 3 Koumoutsi Alexandra . . 4 Bougault Catherine M. . 5 Biboy Jacob . . 6 Sassine Jad . . 7 Solovyova Alexandra S. . 8 Breukink Eefjan . . 9 Typas Athanasios . . 10 Vollmer Waldemar . . 11 Simorre Jean-Pierre . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 953 "13C chemical shifts" 756 "15N chemical shifts" 197 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2014-04-11 original author . stop_ _Original_release_date 2014-04-11 save_ ############################# # Citation for this entry # ############################# save_entry_citation_1 _Saveframe_category entry_citation _Citation_full . _Citation_title 'Solution NMR assignment of LpoB, an outer-membrane anchored Penicillin-Binding Protein activator from Escherichia coli.' _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 24691651 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Jean Nicolas L. . 2 Bougault Catherine M. . 3 Egan Alexander J.F. . 4 Vollmer Waldemar . . 5 Simorre Jean-Pierre . . stop_ _Journal_abbreviation 'Biomol. NMR Assignments' _Journal_name_full 'Biomolecular NMR assignments' _Journal_volume . _Journal_issue . _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first . _Page_last . _Year 2014 _Details . save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name 'E. coli LpoB' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label 'E. coli LpoB' $LpoB 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_LpoB _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common LpoB _Molecular_mass 20770.459 _Mol_thiol_state 'not present' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 197 _Mol_residue_sequence ; GSHMVGQREPAPVEEVKPAP EQPAEPQQPVPTVPSVPTIP QQPGPIEHEDQTAPPAPHIR HYDWNGAMQPMVSKMLGADG VTAGSVLLVDSVNNRTNGSL NAAEATETLRNALANNGKFT LVSAQQLSMAKQQLGLSPQD SLGTRSKAIGIARNVGAHYV LYSSASGNVNAPTLQMQLML VQTGEIIWSGKGAVSQQ ; loop_ _Residue_seq_code _Residue_author_seq_code _Residue_label 1 1 GLY 2 2 SER 3 3 HIS 4 4 MET 5 5 VAL 6 6 GLY 7 7 GLN 8 8 ARG 9 9 GLU 10 10 PRO 11 11 ALA 12 12 PRO 13 13 VAL 14 14 GLU 15 15 GLU 16 16 VAL 17 17 LYS 18 18 PRO 19 19 ALA 20 20 PRO 21 21 GLU 22 22 GLN 23 23 PRO 24 24 ALA 25 25 GLU 26 26 PRO 27 27 GLN 28 28 GLN 29 29 PRO 30 30 VAL 31 31 PRO 32 32 THR 33 33 VAL 34 34 PRO 35 35 SER 36 36 VAL 37 37 PRO 38 38 THR 39 39 ILE 40 40 PRO 41 41 GLN 42 42 GLN 43 43 PRO 44 44 GLY 45 45 PRO 46 46 ILE 47 47 GLU 48 48 HIS 49 49 GLU 50 50 ASP 51 51 GLN 52 52 THR 53 53 ALA 54 54 PRO 55 55 PRO 56 56 ALA 57 57 PRO 58 58 HIS 59 59 ILE 60 60 ARG 61 61 HIS 62 62 TYR 63 63 ASP 64 64 TRP 65 65 ASN 66 66 GLY 67 67 ALA 68 68 MET 69 69 GLN 70 70 PRO 71 71 MET 72 72 VAL 73 73 SER 74 74 LYS 75 75 MET 76 76 LEU 77 77 GLY 78 78 ALA 79 79 ASP 80 80 GLY 81 81 VAL 82 82 THR 83 83 ALA 84 84 GLY 85 85 SER 86 86 VAL 87 87 LEU 88 88 LEU 89 89 VAL 90 90 ASP 91 91 SER 92 92 VAL 93 93 ASN 94 94 ASN 95 95 ARG 96 96 THR 97 97 ASN 98 98 GLY 99 99 SER 100 100 LEU 101 101 ASN 102 102 ALA 103 103 ALA 104 104 GLU 105 105 ALA 106 106 THR 107 107 GLU 108 108 THR 109 109 LEU 110 110 ARG 111 111 ASN 112 112 ALA 113 113 LEU 114 114 ALA 115 115 ASN 116 116 ASN 117 117 GLY 118 118 LYS 119 119 PHE 120 120 THR 121 121 LEU 122 122 VAL 123 123 SER 124 124 ALA 125 125 GLN 126 126 GLN 127 127 LEU 128 128 SER 129 129 MET 130 130 ALA 131 131 LYS 132 132 GLN 133 133 GLN 134 134 LEU 135 135 GLY 136 136 LEU 137 137 SER 138 138 PRO 139 139 GLN 140 140 ASP 141 141 SER 142 142 LEU 143 143 GLY 144 144 THR 145 145 ARG 146 146 SER 147 147 LYS 148 148 ALA 149 149 ILE 150 150 GLY 151 151 ILE 152 152 ALA 153 153 ARG 154 154 ASN 155 155 VAL 156 156 GLY 157 157 ALA 158 158 HIS 159 159 TYR 160 160 VAL 161 161 LEU 162 162 TYR 163 163 SER 164 164 SER 165 165 ALA 166 166 SER 167 167 GLY 168 168 ASN 169 169 VAL 170 170 ASN 171 171 ALA 172 172 PRO 173 173 THR 174 174 LEU 175 175 GLN 176 176 MET 177 177 GLN 178 178 LEU 179 179 MET 180 180 LEU 181 181 VAL 182 182 GLN 183 183 THR 184 184 GLY 185 185 GLU 186 186 ILE 187 187 ILE 188 188 TRP 189 189 SER 190 190 GLY 191 191 LYS 192 192 GLY 193 193 ALA 194 194 VAL 195 195 SER 196 196 GLN 197 197 GLN stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2015-11-25 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 2MII "Nmr Structure Of E. Coli Lpob" 100.00 197 100.00 100.00 4.74e-138 PDB 4Q6Z "Lpob C-terminal Domain From Escherichia Coli" 69.04 136 100.00 100.00 4.58e-91 DBJ BAA35912 "predicted outer membrane lipoprotein [Escherichia coli str. K12 substr. W3110]" 97.97 213 100.00 100.00 5.63e-135 DBJ BAB34906 "hypothetical protein [Escherichia coli O157:H7 str. Sakai]" 97.97 213 100.00 100.00 5.63e-135 DBJ BAG76694 "conserved hypothetical protein [Escherichia coli SE11]" 97.97 213 100.00 100.00 5.63e-135 DBJ BAI24739 "predicted outer membrane lipoprotein [Escherichia coli O26:H11 str. 11368]" 97.97 213 100.00 100.00 5.63e-135 DBJ BAI29989 "predicted outer membrane lipoprotein [Escherichia coli O103:H2 str. 12009]" 97.97 213 100.00 100.00 5.63e-135 EMBL CAP75597 "Uncharacterized protein ycfM [Escherichia coli LF82]" 97.97 213 100.00 100.00 5.63e-135 EMBL CAQ31626 "predicted outer membrane lipoprotein [Escherichia coli BL21(DE3)]" 97.97 213 100.00 100.00 5.63e-135 EMBL CAQ98004 "putative outer membrane lipoprotein [Escherichia coli IAI1]" 97.97 213 100.00 100.00 5.63e-135 EMBL CAR02445 "putative outer membrane lipoprotein [Escherichia coli S88]" 97.97 213 100.00 100.00 5.63e-135 EMBL CAR07449 "putative outer membrane lipoprotein [Escherichia coli ED1a]" 97.97 213 100.00 100.00 5.63e-135 GB AAC74189 "OM lipoprotein stimulator of MrcB transpeptidase [Escherichia coli str. K-12 substr. MG1655]" 97.97 213 100.00 100.00 5.63e-135 GB AAG55851 "orf, hypothetical protein [Escherichia coli O157:H7 str. EDL933]" 97.97 213 100.00 100.00 5.63e-135 GB AAN79848 "Hypothetical protein ycfM [Escherichia coli CFT073]" 97.97 214 99.48 99.48 7.28e-134 GB AAP16615 "hypothetical protein S1189 [Shigella flexneri 2a str. 2457T]" 97.97 213 98.96 99.48 5.35e-134 GB AAZ87850 "conserved hypothetical protein [Shigella sonnei Ss046]" 97.97 213 100.00 100.00 5.63e-135 REF NP_309510 "hypothetical protein ECs1483 [Escherichia coli O157:H7 str. Sakai]" 97.97 213 100.00 100.00 5.63e-135 REF NP_415623 "OM lipoprotein stimulator of MrcB transpeptidase [Escherichia coli str. K-12 substr. MG1655]" 97.97 213 100.00 100.00 5.63e-135 REF WP_000164436 "MULTISPECIES: penicillin-binding protein activator LpoB [Escherichia]" 97.97 213 98.45 98.45 3.44e-132 REF WP_000164438 "penicillin-binding protein activator LpoB [Escherichia coli]" 97.97 213 99.48 99.48 6.10e-134 REF WP_000164439 "MULTISPECIES: penicillin-binding protein activator LpoB [Proteobacteria]" 97.97 213 100.00 100.00 5.63e-135 SP P0AB38 "RecName: Full=Penicillin-binding protein activator LpoB; Short=PBP activator LpoB; AltName: Full=Lipoprotein activator of PBP f" 97.97 213 100.00 100.00 5.63e-135 SP P0AB39 "RecName: Full=Penicillin-binding protein activator LpoB; Short=PBP activator LpoB; Flags: Precursor" 97.97 213 100.00 100.00 5.63e-135 SP Q3Z312 "RecName: Full=Penicillin-binding protein activator LpoB; Short=PBP activator LpoB; Flags: Precursor" 97.97 213 100.00 100.00 5.63e-135 stop_ save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species _Strain $LpoB 'E. coli' 562 Bacteria . Escherichia coli K-12 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 $LpoB 'recombinant technology' . Escherichia coli BL21(DE3) pET28LpoB stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_LpoB(sol) _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $LpoB 0.8 mM '[U-100% 13C; U-100% 15N]' 'CH3COOH/CH3COONa buffer' 100.0 mM 'natural abundance' H2O 90 % 'natural abundance' D2O 10 % '[U-100% 2H]' stop_ save_ ############################ # Computer software used # ############################ save_Aria _Saveframe_category software _Name Aria _Version 2.3.1 loop_ _Vendor _Address _Electronic_address 'Linge, O'Donoghue and Nilges' . http://aria.pasteur.fr/ stop_ loop_ _Task 'structure calculation' stop_ _Details . save_ save_CNS _Saveframe_category software _Name CNS _Version 1.2 loop_ _Vendor _Address _Electronic_address 'Brunger, Adams, Clore, Gros, Nilges and Read' . http://cns-online.org/v1.3/ stop_ loop_ _Task Refinement stop_ _Details . save_ save_CcpNmr_Analysis _Saveframe_category software _Name CcpNmr_Analysis _Version 2.2 loop_ _Vendor _Address _Electronic_address CCPN 'Department of Biochemistry, Cambridge CB2 1GA, UK' http://www.ccpn.ac.uk stop_ loop_ _Task 'data analysis' stop_ _Details . save_ save_Talos+ _Saveframe_category software _Name Talos+ _Version . loop_ _Vendor _Address _Electronic_address 'Yang Shen, Frank Delaglio, Gabriel Cornilescu, and Ad Bax' . http://spin.niddk.nih.gov/NMRPipe/talos/ stop_ loop_ _Task 'data analysis' stop_ _Details . save_ save_Unio10' _Saveframe_category software _Name Unio10' _Version 2.0.2 loop_ _Vendor _Address _Electronic_address 'Torsten Herrmann' . http://perso.ens-lyon.fr/torsten.herrmann/Herrmann/Software.html stop_ loop_ _Task peakpicking stop_ _Details . save_ save_nmrDraw _Saveframe_category software _Name nmrDraw _Version . loop_ _Vendor _Address _Electronic_address 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . http://spin.niddk.nih.gov/NMRPipe 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' . http://spin.niddk.nih.gov/NMRPipe stop_ loop_ _Task processing stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Varian _Model vnmrs _Field_strength 800 _Details . save_ save_spectrometer_2 _Saveframe_category NMR_spectrometer _Manufacturer Varian _Model vnmrs _Field_strength 600 _Details . save_ save_spectrometer_3 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model US2 _Field_strength 950 _Details . save_ ############################# # NMR applied experiments # ############################# save_2D_1H-15N_HSQC_1 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N HSQC' _Sample_label $LpoB(sol) save_ save_3D_HNCO_2 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCO' _Sample_label $LpoB(sol) save_ save_3D_HN(CA)CO_3 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HN(CA)CO' _Sample_label $LpoB(sol) save_ save_3D_BEST-HNCACB_4 _Saveframe_category NMR_applied_experiment _Experiment_name '3D BEST-HNCACB' _Sample_label $LpoB(sol) save_ save_3D_BEST-HN(CO)CACB_5 _Saveframe_category NMR_applied_experiment _Experiment_name '3D BEST-HN(CO)CACB' _Sample_label $LpoB(sol) save_ save_3D_HN(COCA)N(H)_6 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HN(COCA)N(H)' _Sample_label $LpoB(sol) save_ save_2D_Pro-HN(COCAN)_7 _Saveframe_category NMR_applied_experiment _Experiment_name '2D Pro-HN(COCAN)' _Sample_label $LpoB(sol) save_ save_2D_Pro-iHN(CAN)_8 _Saveframe_category NMR_applied_experiment _Experiment_name '2D Pro-iHN(CAN)' _Sample_label $LpoB(sol) save_ save_2D_1H-13C_HSQC_aliphatic_9 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-13C HSQC aliphatic' _Sample_label $LpoB(sol) save_ save_2D_1H-13C_HSQC_aromatic_10 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-13C HSQC aromatic' _Sample_label $LpoB(sol) save_ save_2D_methyl_1H-13C-CT-HSQC_11 _Saveframe_category NMR_applied_experiment _Experiment_name '2D methyl 1H-13C-CT-HSQC' _Sample_label $LpoB(sol) save_ save_2D_1H-15N_HMQC_optimized_for_His_sidechains_12 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N HMQC optimized for His sidechains' _Sample_label $LpoB(sol) save_ save_3D_H(C)CH-TOCSY_13 _Saveframe_category NMR_applied_experiment _Experiment_name '3D H(C)CH-TOCSY' _Sample_label $LpoB(sol) save_ save_3D_H(CCO)NH_14 _Saveframe_category NMR_applied_experiment _Experiment_name '3D H(CCO)NH' _Sample_label $LpoB(sol) save_ save_3D_C(CO)NH_15 _Saveframe_category NMR_applied_experiment _Experiment_name '3D C(CO)NH' _Sample_label $LpoB(sol) save_ save_3D_1H-15N_NOESY_16 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-15N NOESY' _Sample_label $LpoB(sol) save_ save_3D_1H-13C_NOESY_aliphatic_17 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-13C NOESY aliphatic' _Sample_label $LpoB(sol) save_ save_3D_1H-13C_NOESY_aromatic_18 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-13C NOESY aromatic' _Sample_label $LpoB(sol) save_ save_3D_methyl_1H-13C_NOESY_19 _Saveframe_category NMR_applied_experiment _Experiment_name '3D methyl 1H-13C NOESY' _Sample_label $LpoB(sol) save_ save_Heteronuclear_1H-15N_NOE_20 _Saveframe_category NMR_applied_experiment _Experiment_name 'Heteronuclear 1H-15N NOE' _Sample_label $LpoB(sol) 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' 0.100 . M pH 5.000 . pH pressure 1.000 . atm temperature 308.000 . 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 external direct cylindrical 'separate tube (no insert) similar to the experimental sample tube' . 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 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Experiment_label '2D 1H-15N HSQC' '3D HNCO' '3D HN(CA)CO' '3D BEST-HNCACB' '3D BEST-HN(CO)CACB' '2D Pro-HN(COCAN)' '2D Pro-iHN(CAN)' '2D 1H-13C HSQC aliphatic' '2D 1H-13C HSQC aromatic' '2D methyl 1H-13C-CT-HSQC' '2D 1H-15N HMQC optimized for His sidechains' '3D H(C)CH-TOCSY' '3D H(CCO)NH' '3D C(CO)NH' '3D 1H-15N NOESY' '3D 1H-13C NOESY aliphatic' '3D 1H-13C NOESY aromatic' '3D methyl 1H-13C NOESY' stop_ loop_ _Sample_label $LpoB(sol) stop_ _Sample_conditions_label $sample_conditions_1 _Chem_shift_reference_set_label $chemical_shift_reference_1 _Mol_system_component_name 'E. coli LpoB' _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 3 3 HIS HA H 4.674 0.0 1 2 3 3 HIS HB2 H 3.177 0.008 1 3 3 3 HIS HB3 H 3.177 0.008 1 4 3 3 HIS C C 173.984 . 1 5 3 3 HIS CA C 55.399 0.001 1 6 3 3 HIS CB C 29.078 0.0 1 7 4 4 MET H H 8.424 0.001 1 8 4 4 MET HA H 4.485 0.002 1 9 4 4 MET HB2 H 2.031 0.002 2 10 4 4 MET HB3 H 1.937 0.002 2 11 4 4 MET HG2 H 2.529 0.0 2 12 4 4 MET HG3 H 2.477 0.007 2 13 4 4 MET C C 175.849 . 1 14 4 4 MET CA C 55.353 0.002 1 15 4 4 MET CB C 33.158 0.009 1 16 4 4 MET CG C 31.982 0.014 1 17 4 4 MET N N 122.806 0.01 1 18 5 5 VAL H H 8.226 0.001 1 19 5 5 VAL HA H 4.075 0.006 1 20 5 5 VAL HB H 2.039 0.005 1 21 5 5 VAL HG1 H 0.918 0.005 2 22 5 5 VAL HG2 H 0.918 0.005 2 23 5 5 VAL C C 176.576 . 1 24 5 5 VAL CA C 62.630 0.014 1 25 5 5 VAL CB C 32.769 0.005 1 26 5 5 VAL CG1 C 20.864 0.014 2 27 5 5 VAL CG2 C 20.860 0.016 2 28 5 5 VAL N N 122.038 0.01 1 29 6 6 GLY H H 8.502 0.014 1 30 6 6 GLY HA2 H 3.957 0.004 2 31 6 6 GLY HA3 H 3.917 0.001 2 32 6 6 GLY C C 173.893 . 1 33 6 6 GLY CA C 45.246 0.01 1 34 6 6 GLY N N 112.836 0.003 1 35 7 7 GLN H H 8.116 0.001 1 36 7 7 GLN HE21 H 6.831 0.003 1 37 7 7 GLN HE22 H 7.513 0.002 1 38 7 7 GLN C C 175.757 . 1 39 7 7 GLN CA C 55.645 . 1 40 7 7 GLN CB C 29.790 . 1 41 7 7 GLN CG C 33.882 . 1 42 7 7 GLN CD C 180.525 0.011 1 43 7 7 GLN N N 119.793 0.002 1 44 7 7 GLN NE2 N 112.298 0.005 1 45 8 8 ARG H H 8.398 0.001 1 46 8 8 ARG HA H 4.313 0.004 1 47 8 8 ARG HB2 H 1.815 0.001 2 48 8 8 ARG HB3 H 1.734 0.006 2 49 8 8 ARG HG2 H 1.608 0.001 2 50 8 8 ARG HG3 H 1.607 0.002 2 51 8 8 ARG HD2 H 3.171 0.0 1 52 8 8 ARG HD3 H 3.171 0.0 1 53 8 8 ARG C C 175.932 . 1 54 8 8 ARG CA C 56.069 0.007 1 55 8 8 ARG CB C 30.942 0.018 1 56 8 8 ARG CG C 27.089 0.009 1 57 8 8 ARG CD C 43.358 0.001 1 58 8 8 ARG N N 122.587 0.013 1 59 9 9 GLU H H 8.391 0.0 1 60 9 9 GLU C C 174.195 . 1 61 9 9 GLU CA C 54.026 . 1 62 9 9 GLU CB C 29.231 . 1 63 9 9 GLU N N 123.302 0.006 1 64 12 12 PRO HA H 4.419 0.0 1 65 12 12 PRO HB2 H 2.250 0.0 1 66 12 12 PRO HB3 H 2.250 0.0 1 67 12 12 PRO HG2 H 1.987 0.0 1 68 12 12 PRO HG3 H 1.987 0.0 1 69 12 12 PRO HD2 H 3.620 . 1 70 12 12 PRO HD3 H 3.620 . 1 71 12 12 PRO C C 176.901 . 1 72 12 12 PRO CA C 63.035 0.001 1 73 12 12 PRO CB C 32.013 . 1 74 12 12 PRO CG C 27.410 0.0 1 75 12 12 PRO CD C 50.445 . 1 76 13 13 VAL H H 8.122 0.001 1 77 13 13 VAL HA H 4.045 0.004 1 78 13 13 VAL HB H 2.003 0.002 1 79 13 13 VAL HG1 H 0.910 0.002 2 80 13 13 VAL HG2 H 0.910 0.002 2 81 13 13 VAL C C 176.109 . 1 82 13 13 VAL CA C 62.376 . 1 83 13 13 VAL CB C 32.756 0.003 1 84 13 13 VAL CG1 C 20.889 0.003 2 85 13 13 VAL CG2 C 20.882 0.001 2 86 13 13 VAL N N 120.126 0.004 1 87 14 14 GLU H H 8.363 0.001 1 88 14 14 GLU HA H 4.318 0.0 1 89 14 14 GLU C C 175.866 . 1 90 14 14 GLU CA C 55.975 0.002 1 91 14 14 GLU CB C 29.928 0.006 1 92 14 14 GLU N N 124.120 0.012 1 93 15 15 GLU HA H 4.306 0.0 1 94 15 15 GLU C C 175.899 . 1 95 15 15 GLU CA C 56.101 0.001 1 96 15 15 GLU CB C 29.999 . 1 97 15 15 GLU CG C 35.039 . 1 98 16 16 VAL H H 8.176 0.011 1 99 16 16 VAL HA H 4.057 0.004 1 100 16 16 VAL HB H 1.999 0.003 1 101 16 16 VAL HG1 H 0.887 0.006 2 102 16 16 VAL HG2 H 0.887 0.006 2 103 16 16 VAL C C 175.740 . 1 104 16 16 VAL CA C 62.320 0.01 1 105 16 16 VAL CB C 32.687 0.026 1 106 16 16 VAL CG1 C 20.899 0.002 2 107 16 16 VAL CG2 C 20.899 0.003 2 108 16 16 VAL N N 122.468 0.006 1 109 17 17 LYS H H 8.369 0.002 1 110 17 17 LYS HA H 4.597 0.003 1 111 17 17 LYS HB2 H 1.689 0.001 2 112 17 17 LYS HB3 H 1.795 0.001 2 113 17 17 LYS HG2 H 1.440 0.002 1 114 17 17 LYS HG3 H 1.440 0.002 1 115 17 17 LYS HD2 H 1.672 0.001 1 116 17 17 LYS HD3 H 1.672 0.001 1 117 17 17 LYS HE2 H 2.986 0.001 1 118 17 17 LYS HE3 H 2.986 0.001 1 119 17 17 LYS C C 174.199 . 1 120 17 17 LYS CA C 53.895 0.003 1 121 17 17 LYS CB C 32.620 0.007 1 122 17 17 LYS CG C 24.591 0.003 1 123 17 17 LYS CD C 29.154 0.004 1 124 17 17 LYS CE C 42.204 0.001 1 125 17 17 LYS N N 126.968 0.002 1 126 23 23 PRO HA H 4.382 0.005 1 127 23 23 PRO HB2 H 1.884 0.007 2 128 23 23 PRO HB3 H 2.265 0.007 2 129 23 23 PRO HG2 H 2.001 0.005 1 130 23 23 PRO HG3 H 2.001 0.005 1 131 23 23 PRO HD2 H 3.652 0.001 2 132 23 23 PRO HD3 H 3.766 0.009 2 133 23 23 PRO C C 176.407 . 1 134 23 23 PRO CA C 63.038 0.054 1 135 23 23 PRO CB C 32.117 0.042 1 136 23 23 PRO CG C 27.375 0.001 1 137 23 23 PRO CD C 50.614 0.028 1 138 24 24 ALA H H 8.345 0.007 1 139 24 24 ALA HA H 4.278 0.005 1 140 24 24 ALA HB H 1.353 0.002 1 141 24 24 ALA C C 177.471 . 1 142 24 24 ALA CA C 52.324 0.012 1 143 24 24 ALA CB C 19.340 0.001 1 144 24 24 ALA N N 124.440 0.052 1 145 25 25 GLU H H 8.219 0.011 1 146 25 25 GLU HA H 4.612 0.006 1 147 25 25 GLU HB2 H 1.919 0.003 2 148 25 25 GLU HB3 H 2.076 0.003 2 149 25 25 GLU HG2 H 2.359 0.005 2 150 25 25 GLU HG3 H 2.359 0.005 2 151 25 25 GLU C C 174.313 . 1 152 25 25 GLU CA C 53.742 . 1 153 25 25 GLU CB C 29.088 0.007 1 154 25 25 GLU CG C 33.687 0.09 1 155 25 25 GLU N N 120.662 0.006 1 156 29 29 PRO HA H 4.419 0.0 1 157 29 29 PRO HD2 H 3.661 0.0 2 158 29 29 PRO HD3 H 3.779 0.0 2 159 29 29 PRO CA C 62.995 0.002 1 160 29 29 PRO CB C 32.062 . 1 161 29 29 PRO CG C 27.365 . 1 162 29 29 PRO CD C 50.673 0.001 1 163 30 30 VAL H H 8.161 0.0 1 164 30 30 VAL HB H 2.070 0.0 1 165 30 30 VAL CA C 59.806 . 1 166 30 30 VAL CB C 32.511 0.004 1 167 30 30 VAL N N 121.551 0.008 1 168 31 31 PRO C C 176.894 . 1 169 32 32 THR H H 8.184 0.0 1 170 32 32 THR HA H 4.276 0.002 1 171 32 32 THR HB H 4.130 0.003 1 172 32 32 THR HG2 H 1.182 0.003 1 173 32 32 THR C C 174.345 . 1 174 32 32 THR CA C 61.925 0.019 1 175 32 32 THR CB C 69.930 0.019 1 176 32 32 THR CG2 C 21.747 0.014 1 177 32 32 THR N N 115.226 0.008 1 178 33 33 VAL H H 8.097 0.008 1 179 33 33 VAL C C 174.291 . 1 180 33 33 VAL CA C 59.600 . 1 181 33 33 VAL CB C 32.697 . 1 182 33 33 VAL N N 123.624 0.014 1 183 34 34 PRO HA H 4.425 0.011 1 184 34 34 PRO HB2 H 1.888 0.003 2 185 34 34 PRO HB3 H 2.275 0.003 2 186 34 34 PRO HG2 H 1.984 0.0 2 187 34 34 PRO HG3 H 2.013 0.003 2 188 34 34 PRO HD2 H 3.681 0.0 2 189 34 34 PRO HD3 H 3.839 0.01 2 190 34 34 PRO C C 176.745 . 1 191 34 34 PRO CA C 63.203 0.003 1 192 34 34 PRO CB C 32.217 0.016 1 193 34 34 PRO CG C 27.361 0.008 1 194 34 34 PRO CD C 51.037 0.003 1 195 35 35 SER H H 8.316 0.011 1 196 35 35 SER HA H 4.427 0.008 1 197 35 35 SER HB2 H 3.824 0.002 2 198 35 35 SER HB3 H 3.824 0.002 2 199 35 35 SER C C 174.178 . 1 200 35 35 SER CA C 58.196 0.028 1 201 35 35 SER CB C 63.911 0.037 1 202 35 35 SER N N 116.407 0.026 1 203 36 36 VAL H H 8.047 0.001 1 204 36 36 VAL C C 174.385 . 1 205 36 36 VAL CA C 59.656 . 1 206 36 36 VAL CB C 32.719 . 1 207 36 36 VAL N N 122.591 0.015 1 208 37 37 PRO HA H 4.421 0.0 1 209 37 37 PRO HB2 H 2.278 0.002 2 210 37 37 PRO HB3 H 1.887 0.003 2 211 37 37 PRO HG2 H 1.990 0.0 2 212 37 37 PRO HG3 H 1.996 0.009 2 213 37 37 PRO HD2 H 3.679 0.003 2 214 37 37 PRO HD3 H 3.845 0.001 2 215 37 37 PRO C C 176.894 . 1 216 37 37 PRO CA C 63.203 0.003 1 217 37 37 PRO CB C 32.217 0.016 1 218 37 37 PRO CG C 27.373 0.002 1 219 37 37 PRO CD C 51.011 0.051 1 220 38 38 THR H H 8.185 0.001 1 221 38 38 THR HA H 4.273 0.005 1 222 38 38 THR HB H 4.131 0.003 1 223 38 38 THR HG2 H 1.181 0.001 1 224 38 38 THR C C 174.267 . 1 225 38 38 THR CA C 61.924 0.016 1 226 38 38 THR CB C 69.928 0.022 1 227 38 38 THR CG2 C 21.747 0.014 1 228 38 38 THR N N 115.193 0.032 1 229 39 39 ILE H H 8.105 0.001 1 230 39 39 ILE HA H 4.488 0.013 1 231 39 39 ILE HB H 1.840 0.004 1 232 39 39 ILE HG12 H 1.466 0.004 2 233 39 39 ILE HG13 H 1.143 0.007 2 234 39 39 ILE HG2 H 0.924 0.004 1 235 39 39 ILE HD1 H 0.838 0.001 1 236 39 39 ILE C C 174.378 . 1 237 39 39 ILE CA C 58.549 0.052 1 238 39 39 ILE CB C 38.787 0.003 1 239 39 39 ILE CG1 C 26.921 0.044 1 240 39 39 ILE CG2 C 17.154 0.002 1 241 39 39 ILE CD1 C 12.788 0.021 1 242 39 39 ILE N N 124.643 0.006 1 243 43 43 PRO HA H 4.436 0.0 1 244 43 43 PRO HB2 H 2.268 0.001 1 245 43 43 PRO HB3 H 2.268 0.001 1 246 43 43 PRO HG2 H 1.981 0.01 1 247 43 43 PRO HG3 H 1.981 0.01 1 248 43 43 PRO C C 177.013 . 1 249 43 43 PRO CA C 63.271 0.002 1 250 43 43 PRO CB C 32.178 0.0 1 251 43 43 PRO CG C 27.298 0.0 1 252 43 43 PRO CD C 50.684 . 1 253 44 44 GLY H H 8.193 0.012 1 254 44 44 GLY HA2 H 3.975 0.005 2 255 44 44 GLY HA3 H 4.179 0.007 2 256 44 44 GLY C C 171.702 . 1 257 44 44 GLY CA C 44.517 0.023 1 258 44 44 GLY N N 109.111 0.005 1 259 45 45 PRO HA H 4.424 0.006 1 260 45 45 PRO HB2 H 2.240 0.006 2 261 45 45 PRO HB3 H 1.881 0.0 2 262 45 45 PRO HG2 H 1.997 0.0 1 263 45 45 PRO HG3 H 1.997 0.0 1 264 45 45 PRO HD2 H 3.606 0.001 1 265 45 45 PRO HD3 H 3.606 0.001 1 266 45 45 PRO C C 176.988 . 1 267 45 45 PRO CA C 63.072 0.004 1 268 45 45 PRO CB C 32.063 0.004 1 269 45 45 PRO CG C 27.309 0.004 1 270 45 45 PRO CD C 49.788 0.002 1 271 46 46 ILE H H 8.165 0.001 1 272 46 46 ILE HA H 4.097 0.005 1 273 46 46 ILE HB H 1.796 0.0 1 274 46 46 ILE HG12 H 1.446 0.003 2 275 46 46 ILE HG13 H 1.156 0.012 2 276 46 46 ILE HG2 H 0.824 0.001 1 277 46 46 ILE HD1 H 0.836 0.005 1 278 46 46 ILE C C 176.217 . 1 279 46 46 ILE CA C 61.129 0.004 1 280 46 46 ILE CB C 38.700 0.001 1 281 46 46 ILE CG1 C 27.333 0.042 1 282 46 46 ILE CG2 C 17.535 0.003 1 283 46 46 ILE CD1 C 12.800 0.023 1 284 46 46 ILE N N 120.850 0.006 1 285 47 47 GLU H H 8.356 0.0 1 286 47 47 GLU HA H 4.288 0.0 1 287 47 47 GLU C C 175.841 . 1 288 47 47 GLU CA C 56.080 0.001 1 289 47 47 GLU CB C 29.777 . 1 290 47 47 GLU CG C 34.678 . 1 291 47 47 GLU N N 124.520 0.024 1 292 48 48 HIS H H 8.490 0.016 1 293 48 48 HIS HA H 4.673 0.003 1 294 48 48 HIS HB2 H 3.162 0.004 2 295 48 48 HIS HB3 H 3.246 0.006 2 296 48 48 HIS HD2 H 7.280 . 1 297 48 48 HIS C C 174.208 . 1 298 48 48 HIS CA C 55.247 . 1 299 48 48 HIS CB C 29.080 0.049 1 300 48 48 HIS CD2 C 120.290 . 1 301 48 48 HIS N N 119.469 0.007 1 302 48 48 HIS NE2 N 176.527 . 1 303 49 49 GLU H H 8.494 0.002 1 304 49 49 GLU HA H 4.313 0.0 1 305 49 49 GLU HB2 H 2.058 0.001 2 306 49 49 GLU HB3 H 1.941 0.004 2 307 49 49 GLU HG2 H 2.307 0.0 1 308 49 49 GLU HG3 H 2.307 0.0 1 309 49 49 GLU C C 175.778 . 1 310 49 49 GLU CA C 56.281 0.006 1 311 49 49 GLU CB C 29.736 0.025 1 312 49 49 GLU CG C 34.726 0.08 1 313 49 49 GLU N N 122.320 0.007 1 314 50 50 ASP H H 8.504 0.001 1 315 50 50 ASP HA H 4.598 0.0 1 316 50 50 ASP HB2 H 2.736 0.003 2 317 50 50 ASP HB3 H 2.662 0.002 2 318 50 50 ASP C C 176.075 . 1 319 50 50 ASP CA C 54.220 0.005 1 320 50 50 ASP CB C 40.686 0.01 1 321 50 50 ASP N N 121.363 0.004 1 322 51 51 GLN H H 8.378 0.0 1 323 51 51 GLN C C 176.088 . 1 324 51 51 GLN CA C 55.993 . 1 325 51 51 GLN CB C 29.448 . 1 326 51 51 GLN CG C 33.890 . 1 327 51 51 GLN N N 120.912 0.003 1 328 52 52 THR H H 8.185 0.0 1 329 52 52 THR HA H 4.272 0.006 1 330 52 52 THR HB H 4.169 0.002 1 331 52 52 THR HG2 H 1.181 0.001 1 332 52 52 THR C C 173.951 . 1 333 52 52 THR CA C 61.933 0.01 1 334 52 52 THR CB C 69.862 0.025 1 335 52 52 THR CG2 C 21.751 0.021 1 336 52 52 THR N N 115.165 0.01 1 337 53 53 ALA H H 8.164 0.001 1 338 53 53 ALA HA H 4.571 0.015 1 339 53 53 ALA HB H 1.334 0.006 1 340 53 53 ALA C C 174.813 . 1 341 53 53 ALA CA C 50.362 0.003 1 342 53 53 ALA CB C 18.247 0.0 1 343 53 53 ALA N N 127.799 0.006 1 344 54 54 PRO HG2 H 1.983 . 1 345 54 54 PRO HG3 H 1.983 . 1 346 54 54 PRO HD2 H 3.599 . 2 347 54 54 PRO HD3 H 3.783 . 2 348 57 57 PRO HA H 4.366 0.014 1 349 57 57 PRO HB2 H 2.242 0.006 2 350 57 57 PRO HB3 H 1.795 0.005 2 351 57 57 PRO HG2 H 1.982 0.008 2 352 57 57 PRO HG3 H 1.982 0.008 2 353 57 57 PRO HD2 H 3.763 0.007 2 354 57 57 PRO HD3 H 3.617 0.003 2 355 57 57 PRO C C 176.585 . 1 356 57 57 PRO CA C 62.976 0.034 1 357 57 57 PRO CB C 32.120 0.021 1 358 57 57 PRO CG C 27.321 0.001 1 359 57 57 PRO CD C 50.447 0.003 1 360 58 58 HIS H H 8.486 0.01 1 361 58 58 HIS HA H 4.674 0.0 1 362 58 58 HIS HB2 H 3.165 0.003 2 363 58 58 HIS HB3 H 3.166 0.002 2 364 58 58 HIS C C 173.957 . 1 365 58 58 HIS CA C 55.075 0.002 1 366 58 58 HIS CB C 29.079 0.013 1 367 58 58 HIS N N 118.990 0.009 1 368 59 59 ILE H H 8.187 0.001 1 369 59 59 ILE HA H 4.068 0.004 1 370 59 59 ILE HB H 1.747 0.001 1 371 59 59 ILE HG12 H 1.120 0.001 2 372 59 59 ILE HG13 H 1.377 0.004 2 373 59 59 ILE HG2 H 0.758 0.001 1 374 59 59 ILE HD1 H 0.814 0.001 1 375 59 59 ILE C C 175.517 . 1 376 59 59 ILE CA C 60.640 0.001 1 377 59 59 ILE CB C 38.691 0.002 1 378 59 59 ILE CG1 C 27.235 0.026 1 379 59 59 ILE CG2 C 17.456 0.001 1 380 59 59 ILE CD1 C 12.562 0.01 1 381 59 59 ILE N N 123.937 0.01 1 382 60 60 ARG H H 8.303 0.012 1 383 60 60 ARG HA H 4.205 0.0 1 384 60 60 ARG HB2 H 1.236 0.002 2 385 60 60 ARG HB3 H 1.482 0.004 2 386 60 60 ARG HG2 H 1.508 0.002 2 387 60 60 ARG HG3 H 1.415 0.005 2 388 60 60 ARG HD2 H 3.043 0.002 2 389 60 60 ARG HD3 H 3.042 0.002 2 390 60 60 ARG HE H 7.103 0.006 1 391 60 60 ARG C C 174.903 . 1 392 60 60 ARG CA C 55.609 0.001 1 393 60 60 ARG CB C 31.425 0.016 1 394 60 60 ARG CG C 27.752 0.075 1 395 60 60 ARG CD C 43.387 0.014 1 396 60 60 ARG N N 125.434 0.021 1 397 60 60 ARG NE N 84.846 . 1 398 61 61 HIS H H 8.535 0.008 1 399 61 61 HIS HA H 4.872 0.004 1 400 61 61 HIS HB2 H 3.030 0.003 2 401 61 61 HIS HB3 H 3.232 0.002 2 402 61 61 HIS HD2 H 7.346 0.002 1 403 61 61 HIS HE1 H 8.590 0.003 1 404 61 61 HIS C C 173.552 . 1 405 61 61 HIS CA C 54.172 0.014 1 406 61 61 HIS CB C 30.510 0.052 1 407 61 61 HIS CD2 C 120.260 0.067 1 408 61 61 HIS CE1 C 136.621 . 1 409 61 61 HIS N N 119.416 0.064 1 410 61 61 HIS ND1 N 173.333 . 1 411 61 61 HIS NE2 N 176.927 . 1 412 62 62 TYR H H 8.689 0.007 1 413 62 62 TYR HA H 4.477 0.002 1 414 62 62 TYR HB2 H 1.450 0.002 2 415 62 62 TYR HB3 H 1.340 0.009 2 416 62 62 TYR HD1 H 6.695 0.002 3 417 62 62 TYR HD2 H 6.695 0.002 3 418 62 62 TYR HE1 H 6.696 0.002 3 419 62 62 TYR HE2 H 6.696 0.002 3 420 62 62 TYR C C 175.754 . 1 421 62 62 TYR CA C 57.322 0.012 1 422 62 62 TYR CB C 38.989 0.012 1 423 62 62 TYR CD1 C 132.605 0.035 3 424 62 62 TYR CD2 C 132.605 0.035 3 425 62 62 TYR CE1 C 117.878 0.061 3 426 62 62 TYR CE2 C 117.878 0.061 3 427 62 62 TYR N N 120.068 0.002 1 428 63 63 ASP H H 8.625 0.003 1 429 63 63 ASP HA H 5.013 0.01 1 430 63 63 ASP HB2 H 2.893 0.0 2 431 63 63 ASP HB3 H 2.329 0.004 2 432 63 63 ASP C C 177.664 . 1 433 63 63 ASP CA C 51.243 0.061 1 434 63 63 ASP CB C 38.148 0.013 1 435 63 63 ASP N N 121.402 0.008 1 436 64 64 TRP H H 7.801 0.0 1 437 64 64 TRP HA H 4.407 0.006 1 438 64 64 TRP HB2 H 3.622 0.006 2 439 64 64 TRP HB3 H 3.237 0.008 2 440 64 64 TRP HD1 H 7.571 0.002 1 441 64 64 TRP HE1 H 11.038 0.01 1 442 64 64 TRP HZ2 H 6.939 0.003 1 443 64 64 TRP HZ3 H 6.635 0.003 1 444 64 64 TRP HH2 H 6.382 0.001 1 445 64 64 TRP C C 179.011 . 1 446 64 64 TRP CA C 60.455 0.003 1 447 64 64 TRP CB C 29.994 0.008 1 448 64 64 TRP CD1 C 128.313 0.029 1 449 64 64 TRP CZ2 C 115.332 0.034 1 450 64 64 TRP CZ3 C 120.782 0.07 1 451 64 64 TRP CH2 C 122.173 0.021 1 452 64 64 TRP N N 124.289 0.005 1 453 64 64 TRP NE1 N 131.774 . 1 454 65 65 ASN H H 9.399 0.01 1 455 65 65 ASN HA H 4.211 0.0 1 456 65 65 ASN HB2 H 2.801 0.001 2 457 65 65 ASN HB3 H 2.801 0.001 2 458 65 65 ASN HD21 H 7.817 0.001 1 459 65 65 ASN HD22 H 6.943 0.012 1 460 65 65 ASN C C 177.015 . 1 461 65 65 ASN CA C 57.907 . 1 462 65 65 ASN CB C 39.560 0.023 1 463 65 65 ASN CG C 175.449 0.01 1 464 65 65 ASN N N 117.954 0.001 1 465 65 65 ASN ND2 N 114.322 0.0 1 466 66 66 GLY H H 8.333 0.004 1 467 66 66 GLY HA2 H 3.896 0.005 2 468 66 66 GLY HA3 H 3.859 0.0 2 469 66 66 GLY C C 175.349 . 1 470 66 66 GLY CA C 47.020 0.008 1 471 66 66 GLY N N 106.308 0.01 1 472 67 67 ALA H H 7.123 0.005 1 473 67 67 ALA HA H 4.547 0.0 1 474 67 67 ALA HB H 1.556 0.001 1 475 67 67 ALA C C 179.562 . 1 476 67 67 ALA CA C 53.422 0.001 1 477 67 67 ALA CB C 20.778 0.004 1 478 67 67 ALA N N 119.330 0.001 1 479 68 68 MET H H 8.717 0.008 1 480 68 68 MET HA H 4.018 0.011 1 481 68 68 MET HB2 H 1.719 0.002 2 482 68 68 MET HB3 H 1.875 . 2 483 68 68 MET HG2 H 2.235 0.001 2 484 68 68 MET HG3 H 3.040 0.0 2 485 68 68 MET HE H 1.985 0.002 1 486 68 68 MET C C 177.663 . 1 487 68 68 MET CA C 59.740 0.008 1 488 68 68 MET CB C 33.145 0.0 1 489 68 68 MET CG C 35.324 0.02 1 490 68 68 MET CE C 19.621 0.021 1 491 68 68 MET N N 114.685 0.007 1 492 69 69 GLN H H 8.711 0.008 1 493 69 69 GLN HA H 4.032 0.001 1 494 69 69 GLN HB2 H 2.195 0.004 1 495 69 69 GLN HB3 H 2.195 0.004 1 496 69 69 GLN HG2 H 2.456 0.005 2 497 69 69 GLN HG3 H 2.538 0.003 2 498 69 69 GLN HE21 H 6.748 0.014 1 499 69 69 GLN HE22 H 7.472 0.012 1 500 69 69 GLN C C 175.803 . 1 501 69 69 GLN CA C 61.868 0.012 1 502 69 69 GLN CB C 25.159 0.007 1 503 69 69 GLN CG C 33.510 0.077 1 504 69 69 GLN CD C 179.599 0.006 1 505 69 69 GLN N N 118.509 0.001 1 506 69 69 GLN NE2 N 110.755 0.003 1 507 70 70 PRO HA H 4.408 0.001 1 508 70 70 PRO HB2 H 1.868 0.003 2 509 70 70 PRO HB3 H 2.396 0.003 2 510 70 70 PRO HG2 H 2.201 0.002 2 511 70 70 PRO HG3 H 2.058 0.001 2 512 70 70 PRO HD2 H 3.613 0.004 1 513 70 70 PRO HD3 H 3.613 0.004 1 514 70 70 PRO C C 179.663 . 1 515 70 70 PRO CA C 65.622 0.024 1 516 70 70 PRO CB C 31.139 0.027 1 517 70 70 PRO CG C 28.375 0.013 1 518 70 70 PRO CD C 50.869 . 1 519 71 71 MET H H 6.676 0.0 1 520 71 71 MET HA H 4.158 0.006 1 521 71 71 MET HB2 H 2.237 0.006 1 522 71 71 MET HB3 H 2.237 0.006 1 523 71 71 MET HG2 H 2.596 0.003 2 524 71 71 MET HG3 H 2.958 0.003 2 525 71 71 MET HE H 1.993 0.001 1 526 71 71 MET C C 177.129 . 1 527 71 71 MET CA C 59.926 0.002 1 528 71 71 MET CB C 34.221 0.069 1 529 71 71 MET CG C 33.743 0.014 1 530 71 71 MET CE C 17.243 0.018 1 531 71 71 MET N N 116.081 0.004 1 532 72 72 VAL H H 8.362 0.022 1 533 72 72 VAL HA H 3.293 0.003 1 534 72 72 VAL HB H 2.106 0.001 1 535 72 72 VAL HG1 H 0.798 0.001 2 536 72 72 VAL HG2 H 0.798 0.001 2 537 72 72 VAL C C 177.179 . 1 538 72 72 VAL CA C 66.777 0.005 1 539 72 72 VAL CB C 31.349 0.007 1 540 72 72 VAL CG1 C 21.537 0.002 2 541 72 72 VAL CG2 C 22.608 0.075 2 542 72 72 VAL N N 118.411 0.04 1 543 73 73 SER H H 7.751 0.001 1 544 73 73 SER HA H 4.007 0.0 1 545 73 73 SER HB2 H 3.894 0.004 2 546 73 73 SER HB3 H 3.874 0.0 2 547 73 73 SER C C 177.098 . 1 548 73 73 SER CA C 62.030 0.003 1 549 73 73 SER CB C 62.717 0.024 1 550 73 73 SER N N 112.325 0.001 1 551 74 74 LYS H H 7.402 0.006 1 552 74 74 LYS HA H 4.012 0.003 1 553 74 74 LYS HB2 H 2.135 0.003 2 554 74 74 LYS HB3 H 2.135 0.002 2 555 74 74 LYS HG2 H 1.653 0.001 2 556 74 74 LYS HG3 H 1.772 0.002 2 557 74 74 LYS HD2 H 1.908 0.006 2 558 74 74 LYS HD3 H 1.810 0.003 2 559 74 74 LYS HE2 H 3.105 0.002 1 560 74 74 LYS HE3 H 3.105 0.002 1 561 74 74 LYS C C 178.827 . 1 562 74 74 LYS CA C 58.879 0.009 1 563 74 74 LYS CB C 32.532 0.101 1 564 74 74 LYS CG C 25.527 0.007 1 565 74 74 LYS CD C 29.233 0.039 1 566 74 74 LYS CE C 42.365 0.001 1 567 74 74 LYS N N 120.769 0.011 1 568 75 75 MET H H 7.737 0.011 1 569 75 75 MET HA H 1.930 0.004 1 570 75 75 MET HB2 H 0.344 0.012 2 571 75 75 MET HB3 H 1.349 0.001 2 572 75 75 MET HG2 H 1.558 0.006 2 573 75 75 MET HG3 H 1.469 0.006 2 574 75 75 MET HE H 1.566 0.002 1 575 75 75 MET C C 177.036 . 1 576 75 75 MET CA C 58.624 0.006 1 577 75 75 MET CB C 32.344 0.042 1 578 75 75 MET CG C 31.245 0.06 1 579 75 75 MET CE C 17.053 0.018 1 580 75 75 MET N N 122.438 0.007 1 581 76 76 LEU H H 7.497 0.006 1 582 76 76 LEU HA H 3.737 0.005 1 583 76 76 LEU HB2 H 1.378 0.003 2 584 76 76 LEU HB3 H 1.656 0.004 2 585 76 76 LEU HG H 1.708 0.006 1 586 76 76 LEU HD1 H 0.728 0.007 2 587 76 76 LEU HD2 H 0.581 0.004 2 588 76 76 LEU C C 177.596 . 1 589 76 76 LEU CA C 56.513 0.019 1 590 76 76 LEU CB C 41.591 0.014 1 591 76 76 LEU CG C 27.140 0.041 1 592 76 76 LEU CD1 C 25.696 0.051 2 593 76 76 LEU CD2 C 23.485 0.031 2 594 76 76 LEU N N 114.339 0.009 1 595 77 77 GLY H H 7.297 0.0 1 596 77 77 GLY HA2 H 3.584 0.004 2 597 77 77 GLY HA3 H 4.238 0.0 2 598 77 77 GLY C C 174.095 . 1 599 77 77 GLY CA C 44.540 0.009 1 600 77 77 GLY N N 104.177 0.011 1 601 78 78 ALA H H 7.285 0.007 1 602 78 78 ALA HA H 4.325 0.0 1 603 78 78 ALA HB H 1.449 0.003 1 604 78 78 ALA C C 177.664 . 1 605 78 78 ALA CA C 52.321 0.016 1 606 78 78 ALA CB C 19.084 0.003 1 607 78 78 ALA N N 124.611 0.004 1 608 79 79 ASP H H 8.538 0.011 1 609 79 79 ASP HA H 4.427 . 1 610 79 79 ASP HB2 H 2.713 0.0 1 611 79 79 ASP HB3 H 2.713 0.0 1 612 79 79 ASP C C 177.171 . 1 613 79 79 ASP CA C 55.605 0.003 1 614 79 79 ASP CB C 40.492 0.002 1 615 79 79 ASP N N 121.546 0.007 1 616 80 80 GLY H H 8.610 0.0 1 617 80 80 GLY HA2 H 4.200 0.003 2 618 80 80 GLY HA3 H 3.765 0.0 2 619 80 80 GLY C C 174.559 . 1 620 80 80 GLY CA C 45.405 0.015 1 621 80 80 GLY N N 109.725 0.007 1 622 81 81 VAL H H 7.489 0.007 1 623 81 81 VAL HA H 3.800 . 1 624 81 81 VAL HB H 2.001 0.009 1 625 81 81 VAL HG1 H 0.567 0.001 2 626 81 81 VAL HG2 H 0.438 0.004 2 627 81 81 VAL C C 175.283 . 1 628 81 81 VAL CA C 63.250 . 1 629 81 81 VAL CB C 31.402 0.025 1 630 81 81 VAL CG1 C 21.764 0.026 2 631 81 81 VAL CG2 C 21.516 0.037 2 632 81 81 VAL N N 122.083 0.013 1 633 82 82 THR H H 7.864 0.004 1 634 82 82 THR HA H 4.396 0.004 1 635 82 82 THR HB H 4.026 0.001 1 636 82 82 THR HG2 H 1.215 0.003 1 637 82 82 THR C C 174.325 . 1 638 82 82 THR CA C 61.072 0.004 1 639 82 82 THR CB C 70.156 0.032 1 640 82 82 THR CG2 C 21.770 0.013 1 641 82 82 THR N N 122.356 0.035 1 642 83 83 ALA H H 8.729 0.007 1 643 83 83 ALA HA H 3.973 0.001 1 644 83 83 ALA HB H 1.308 0.0 1 645 83 83 ALA C C 177.978 . 1 646 83 83 ALA CA C 52.948 0.001 1 647 83 83 ALA CB C 18.468 0.017 1 648 83 83 ALA N N 130.021 0.018 1 649 84 84 GLY H H 8.675 0.009 1 650 84 84 GLY HA2 H 3.678 0.0 2 651 84 84 GLY HA3 H 4.122 0.001 2 652 84 84 GLY C C 174.787 . 1 653 84 84 GLY CA C 45.210 0.01 1 654 84 84 GLY N N 110.093 0.006 1 655 85 85 SER H H 7.452 0.009 1 656 85 85 SER HA H 4.569 0.001 1 657 85 85 SER HB2 H 3.994 0.004 2 658 85 85 SER HB3 H 3.991 0.008 2 659 85 85 SER C C 172.491 . 1 660 85 85 SER CA C 59.099 0.003 1 661 85 85 SER CB C 65.399 0.013 1 662 85 85 SER N N 115.189 0.008 1 663 86 86 VAL H H 9.431 0.009 1 664 86 86 VAL HA H 4.879 0.0 1 665 86 86 VAL HB H 2.186 0.007 1 666 86 86 VAL HG1 H 1.048 0.006 2 667 86 86 VAL HG2 H 0.745 0.005 2 668 86 86 VAL C C 176.013 . 1 669 86 86 VAL CA C 62.853 0.001 1 670 86 86 VAL CB C 32.239 0.003 1 671 86 86 VAL CG1 C 21.352 0.055 2 672 86 86 VAL CG2 C 22.177 0.054 2 673 86 86 VAL N N 124.331 0.0 1 674 87 87 LEU H H 9.198 0.001 1 675 87 87 LEU HA H 4.810 0.006 1 676 87 87 LEU HB2 H 1.433 0.002 2 677 87 87 LEU HB3 H 0.933 0.004 2 678 87 87 LEU HG H 1.013 0.003 1 679 87 87 LEU HD1 H 0.062 0.004 2 680 87 87 LEU HD2 H 0.228 0.005 2 681 87 87 LEU C C 173.896 . 1 682 87 87 LEU CA C 53.442 0.03 1 683 87 87 LEU CB C 46.178 0.039 1 684 87 87 LEU CG C 26.919 0.021 1 685 87 87 LEU CD1 C 26.267 0.023 2 686 87 87 LEU CD2 C 25.109 0.011 2 687 87 87 LEU N N 130.783 0.022 1 688 88 88 LEU H H 8.309 0.0 1 689 88 88 LEU HA H 4.453 0.003 1 690 88 88 LEU HB2 H 1.906 0.003 2 691 88 88 LEU HB3 H 1.102 0.001 2 692 88 88 LEU HG H 1.380 0.005 1 693 88 88 LEU HD1 H 0.773 0.008 2 694 88 88 LEU HD2 H 0.698 0.006 2 695 88 88 LEU C C 173.805 . 1 696 88 88 LEU CA C 54.418 0.007 1 697 88 88 LEU CB C 43.743 0.016 1 698 88 88 LEU CG C 28.017 0.045 1 699 88 88 LEU CD1 C 25.590 0.018 2 700 88 88 LEU CD2 C 24.933 0.076 2 701 88 88 LEU N N 128.383 0.009 1 702 89 89 VAL H H 8.767 0.013 1 703 89 89 VAL HA H 3.950 0.003 1 704 89 89 VAL HB H 1.934 0.0 1 705 89 89 VAL HG1 H 0.828 0.001 2 706 89 89 VAL HG2 H 0.737 0.001 2 707 89 89 VAL C C 174.512 . 1 708 89 89 VAL CA C 62.122 0.002 1 709 89 89 VAL CB C 32.017 0.0 1 710 89 89 VAL CG1 C 21.141 0.031 2 711 89 89 VAL CG2 C 23.428 0.021 2 712 89 89 VAL N N 128.767 0.008 1 713 90 90 ASP H H 7.857 0.001 1 714 90 90 ASP HA H 4.583 0.003 1 715 90 90 ASP HB2 H 2.102 0.005 2 716 90 90 ASP HB3 H 2.931 0.004 2 717 90 90 ASP C C 175.333 . 1 718 90 90 ASP CA C 53.311 . 1 719 90 90 ASP CB C 42.066 0.012 1 720 90 90 ASP N N 126.887 0.011 1 721 91 91 SER H H 7.701 0.002 1 722 91 91 SER HA H 4.238 0.003 1 723 91 91 SER HB2 H 3.744 0.001 2 724 91 91 SER HB3 H 3.577 0.001 2 725 91 91 SER C C 174.271 . 1 726 91 91 SER CA C 58.589 0.08 1 727 91 91 SER CB C 63.647 0.029 1 728 91 91 SER N N 116.168 0.007 1 729 92 92 VAL H H 7.869 0.009 1 730 92 92 VAL HA H 3.711 0.006 1 731 92 92 VAL HB H 1.557 0.004 1 732 92 92 VAL HG1 H 0.559 0.001 2 733 92 92 VAL HG2 H 0.278 0.005 2 734 92 92 VAL C C 175.840 . 1 735 92 92 VAL CA C 62.687 0.009 1 736 92 92 VAL CB C 31.163 0.019 1 737 92 92 VAL CG1 C 19.745 0.034 2 738 92 92 VAL CG2 C 20.598 0.01 2 739 92 92 VAL N N 124.074 0.007 1 740 93 93 ASN H H 8.336 0.004 1 741 93 93 ASN HA H 4.689 . 1 742 93 93 ASN HB2 H 2.823 0.001 2 743 93 93 ASN HB3 H 2.678 0.006 2 744 93 93 ASN HD21 H 6.966 0.0 1 745 93 93 ASN HD22 H 7.281 0.009 1 746 93 93 ASN C C 174.982 . 1 747 93 93 ASN CA C 52.616 . 1 748 93 93 ASN CB C 40.407 0.062 1 749 93 93 ASN CG C 175.803 0.012 1 750 93 93 ASN N N 126.619 0.008 1 751 93 93 ASN ND2 N 111.630 0.001 1 752 94 94 ASN H H 9.086 0.011 1 753 94 94 ASN HA H 4.870 0.003 1 754 94 94 ASN HB2 H 3.334 0.004 2 755 94 94 ASN HB3 H 2.499 0.008 2 756 94 94 ASN HD21 H 8.038 0.012 1 757 94 94 ASN HD22 H 7.868 0.01 1 758 94 94 ASN C C 174.382 . 1 759 94 94 ASN CA C 53.069 0.044 1 760 94 94 ASN CB C 38.126 0.025 1 761 94 94 ASN CG C 176.765 . 1 762 94 94 ASN N N 122.103 0.011 1 763 94 94 ASN ND2 N 113.566 0.022 1 764 95 95 ARG H H 9.282 0.007 1 765 95 95 ARG HA H 4.766 0.002 1 766 95 95 ARG HB2 H 2.214 0.005 1 767 95 95 ARG HB3 H 2.214 0.005 1 768 95 95 ARG HG2 H 1.547 0.002 2 769 95 95 ARG HG3 H 1.471 0.003 2 770 95 95 ARG HD2 H 3.157 0.001 2 771 95 95 ARG HD3 H 3.156 0.001 2 772 95 95 ARG C C 177.101 . 1 773 95 95 ARG CA C 54.709 . 1 774 95 95 ARG CB C 29.410 0.041 1 775 95 95 ARG CG C 27.225 0.037 1 776 95 95 ARG CD C 43.321 0.016 1 777 95 95 ARG N N 128.351 0.009 1 778 96 96 THR H H 7.879 0.008 1 779 96 96 THR HA H 4.881 0.002 1 780 96 96 THR HB H 4.097 0.007 1 781 96 96 THR HG2 H 0.893 0.003 1 782 96 96 THR C C 174.207 . 1 783 96 96 THR CA C 61.844 0.024 1 784 96 96 THR CB C 71.436 0.025 1 785 96 96 THR CG2 C 21.073 0.018 1 786 96 96 THR N N 111.421 0.005 1 787 97 97 ASN H H 8.256 0.006 1 788 97 97 ASN HA H 4.717 . 1 789 97 97 ASN HB2 H 3.236 0.007 2 790 97 97 ASN HB3 H 2.788 0.001 2 791 97 97 ASN HD21 H 6.760 0.001 1 792 97 97 ASN HD22 H 7.564 0.001 1 793 97 97 ASN C C 175.369 . 1 794 97 97 ASN CA C 52.774 . 1 795 97 97 ASN CB C 37.321 0.003 1 796 97 97 ASN CG C 177.463 0.012 1 797 97 97 ASN N N 115.266 0.016 1 798 97 97 ASN ND2 N 110.757 0.005 1 799 98 98 GLY H H 8.190 0.001 1 800 98 98 GLY HA2 H 4.506 0.002 2 801 98 98 GLY HA3 H 3.595 . 2 802 98 98 GLY C C 171.871 . 1 803 98 98 GLY CA C 45.397 0.001 1 804 98 98 GLY N N 108.006 0.004 1 805 99 99 SER H H 8.513 0.01 1 806 99 99 SER HA H 4.451 0.003 1 807 99 99 SER HB2 H 3.755 0.0 2 808 99 99 SER HB3 H 3.803 0.003 2 809 99 99 SER C C 172.970 . 1 810 99 99 SER CA C 58.220 0.023 1 811 99 99 SER CB C 63.832 0.076 1 812 99 99 SER N N 116.352 0.007 1 813 100 100 LEU H H 7.654 0.009 1 814 100 100 LEU HA H 4.621 0.006 1 815 100 100 LEU HB2 H 1.601 0.004 2 816 100 100 LEU HB3 H 1.816 0.002 2 817 100 100 LEU HG H 1.614 0.002 1 818 100 100 LEU HD1 H 0.699 0.005 2 819 100 100 LEU HD2 H 0.666 0.008 2 820 100 100 LEU C C 175.209 . 1 821 100 100 LEU CA C 54.669 0.024 1 822 100 100 LEU CB C 45.025 0.02 1 823 100 100 LEU CG C 26.226 0.068 1 824 100 100 LEU CD1 C 24.276 0.032 2 825 100 100 LEU CD2 C 26.031 0.031 2 826 100 100 LEU N N 121.645 0.017 1 827 101 101 ASN H H 9.196 0.013 1 828 101 101 ASN HA H 4.922 0.001 1 829 101 101 ASN HB2 H 3.375 0.005 2 830 101 101 ASN HB3 H 2.891 0.008 2 831 101 101 ASN HD21 H 7.783 0.001 1 832 101 101 ASN HD22 H 7.182 0.0 1 833 101 101 ASN C C 175.370 . 1 834 101 101 ASN CA C 52.275 0.011 1 835 101 101 ASN CB C 36.776 0.018 1 836 101 101 ASN CG C 177.574 0.012 1 837 101 101 ASN N N 120.626 0.003 1 838 101 101 ASN ND2 N 112.027 0.001 1 839 102 102 ALA H H 8.444 0.012 1 840 102 102 ALA HA H 3.641 0.006 1 841 102 102 ALA HB H 1.407 0.002 1 842 102 102 ALA C C 178.968 . 1 843 102 102 ALA CA C 54.255 . 1 844 102 102 ALA CB C 18.233 0.01 1 845 102 102 ALA N N 130.306 0.017 1 846 103 103 ALA H H 8.397 0.001 1 847 103 103 ALA HA H 4.203 0.002 1 848 103 103 ALA HB H 1.534 0.001 1 849 103 103 ALA C C 180.431 . 1 850 103 103 ALA CA C 55.545 0.008 1 851 103 103 ALA CB C 17.534 0.003 1 852 103 103 ALA N N 124.649 0.009 1 853 104 104 GLU H H 7.489 0.007 1 854 104 104 GLU HA H 4.076 0.008 1 855 104 104 GLU HB2 H 2.176 0.001 2 856 104 104 GLU HB3 H 2.099 0.001 2 857 104 104 GLU HG2 H 2.433 0.006 2 858 104 104 GLU HG3 H 2.313 0.006 2 859 104 104 GLU C C 179.225 . 1 860 104 104 GLU CA C 58.553 0.035 1 861 104 104 GLU CB C 29.870 0.038 1 862 104 104 GLU CG C 36.223 0.023 1 863 104 104 GLU N N 119.504 0.023 1 864 105 105 ALA H H 6.793 0.005 1 865 105 105 ALA HA H 2.792 0.009 1 866 105 105 ALA HB H -0.072 0.002 1 867 105 105 ALA C C 178.157 . 1 868 105 105 ALA CA C 55.098 0.018 1 869 105 105 ALA CB C 15.570 0.009 1 870 105 105 ALA N N 122.877 0.008 1 871 106 106 THR H H 8.073 0.007 1 872 106 106 THR HA H 3.538 0.002 1 873 106 106 THR HB H 4.279 0.002 1 874 106 106 THR HG1 H 5.283 0.002 1 875 106 106 THR HG2 H 1.159 0.001 1 876 106 106 THR C C 175.624 . 1 877 106 106 THR CA C 67.165 0.018 1 878 106 106 THR CB C 68.903 0.027 1 879 106 106 THR CG2 C 22.121 0.016 1 880 106 106 THR N N 115.245 0.006 1 881 107 107 GLU H H 8.091 0.002 1 882 107 107 GLU HA H 3.937 0.0 1 883 107 107 GLU HB2 H 2.021 . 2 884 107 107 GLU HB3 H 2.123 . 2 885 107 107 GLU HG2 H 2.341 . 1 886 107 107 GLU HG3 H 2.341 . 1 887 107 107 GLU C C 178.498 . 1 888 107 107 GLU CA C 59.365 . 1 889 107 107 GLU CB C 28.844 . 1 890 107 107 GLU CG C 34.946 . 1 891 107 107 GLU N N 121.514 0.009 1 892 108 108 THR H H 7.764 0.007 1 893 108 108 THR HA H 3.935 0.0 1 894 108 108 THR HB H 4.132 0.005 1 895 108 108 THR HG2 H 1.374 0.002 1 896 108 108 THR C C 176.043 . 1 897 108 108 THR CA C 67.202 . 1 898 108 108 THR CB C 68.304 0.003 1 899 108 108 THR CG2 C 22.001 0.015 1 900 108 108 THR N N 116.209 0.01 1 901 109 109 LEU H H 7.919 0.0 1 902 109 109 LEU HA H 4.056 0.003 1 903 109 109 LEU HB2 H 1.377 0.009 2 904 109 109 LEU HB3 H 1.982 0.002 2 905 109 109 LEU HD1 H 0.760 0.002 2 906 109 109 LEU HD2 H 0.749 0.011 2 907 109 109 LEU C C 178.034 . 1 908 109 109 LEU CA C 58.424 0.006 1 909 109 109 LEU CB C 41.377 0.037 1 910 109 109 LEU CD1 C 21.898 0.018 2 911 109 109 LEU CD2 C 26.958 0.042 2 912 109 109 LEU N N 125.420 0.003 1 913 110 110 ARG H H 8.347 0.009 1 914 110 110 ARG HA H 3.651 0.004 1 915 110 110 ARG HB2 H 1.822 0.0 1 916 110 110 ARG HB3 H 1.822 0.0 1 917 110 110 ARG HG2 H 1.260 0.007 1 918 110 110 ARG HG3 H 1.260 0.007 1 919 110 110 ARG HD2 H 3.072 0.0 2 920 110 110 ARG HD3 H 3.346 0.003 2 921 110 110 ARG HE H 7.467 0.005 1 922 110 110 ARG C C 178.921 . 1 923 110 110 ARG CA C 60.916 0.001 1 924 110 110 ARG CB C 30.194 0.0 1 925 110 110 ARG CG C 29.049 0.03 1 926 110 110 ARG CD C 43.184 0.021 1 927 110 110 ARG N N 117.180 0.005 1 928 110 110 ARG NE N 83.473 . 1 929 111 111 ASN H H 8.091 0.017 1 930 111 111 ASN HA H 4.418 . 1 931 111 111 ASN HB2 H 2.904 0.002 2 932 111 111 ASN HB3 H 2.824 . 2 933 111 111 ASN HD21 H 6.977 0.001 1 934 111 111 ASN HD22 H 7.629 0.001 1 935 111 111 ASN C C 177.600 . 1 936 111 111 ASN CA C 56.229 . 1 937 111 111 ASN CB C 38.131 0.001 1 938 111 111 ASN CG C 176.030 0.006 1 939 111 111 ASN N N 117.043 0.008 1 940 111 111 ASN ND2 N 112.541 0.004 1 941 112 112 ALA H H 8.345 0.0 1 942 112 112 ALA HA H 4.265 0.002 1 943 112 112 ALA HB H 1.464 0.002 1 944 112 112 ALA C C 179.976 . 1 945 112 112 ALA CA C 54.637 0.003 1 946 112 112 ALA CB C 17.311 0.005 1 947 112 112 ALA N N 123.200 0.001 1 948 113 113 LEU H H 7.964 0.001 1 949 113 113 LEU HA H 4.083 0.004 1 950 113 113 LEU HB2 H 1.366 0.002 2 951 113 113 LEU HB3 H 1.930 0.004 2 952 113 113 LEU HG H 1.652 0.008 1 953 113 113 LEU HD1 H 0.623 0.004 2 954 113 113 LEU HD2 H 0.633 0.004 2 955 113 113 LEU C C 177.609 . 1 956 113 113 LEU CA C 56.673 0.068 1 957 113 113 LEU CB C 43.640 0.024 1 958 113 113 LEU CD1 C 27.776 0.043 2 959 113 113 LEU CD2 C 24.113 0.026 2 960 113 113 LEU N N 117.742 0.007 1 961 114 114 ALA H H 8.072 0.0 1 962 114 114 ALA HA H 4.327 0.002 1 963 114 114 ALA HB H 1.511 0.001 1 964 114 114 ALA C C 179.237 . 1 965 114 114 ALA CA C 54.112 0.012 1 966 114 114 ALA CB C 18.907 0.007 1 967 114 114 ALA N N 121.983 0.016 1 968 115 115 ASN H H 8.203 0.005 1 969 115 115 ASN HA H 4.526 0.015 1 970 115 115 ASN HB2 H 2.869 0.004 2 971 115 115 ASN HB3 H 2.813 0.003 2 972 115 115 ASN HD21 H 7.584 0.001 1 973 115 115 ASN HD22 H 6.888 0.001 1 974 115 115 ASN C C 175.964 . 1 975 115 115 ASN CA C 54.774 0.004 1 976 115 115 ASN CB C 38.663 0.02 1 977 115 115 ASN CG C 176.760 0.012 1 978 115 115 ASN N N 115.929 0.022 1 979 115 115 ASN ND2 N 112.914 0.005 1 980 116 116 ASN H H 7.977 0.001 1 981 116 116 ASN HA H 4.482 0.0 1 982 116 116 ASN HB2 H 2.779 0.01 2 983 116 116 ASN HB3 H 2.788 0.0 2 984 116 116 ASN C C 175.675 . 1 985 116 116 ASN CA C 55.278 0.003 1 986 116 116 ASN CB C 39.503 0.0 1 987 116 116 ASN N N 117.051 0.01 1 988 117 117 GLY H H 8.180 0.001 1 989 117 117 GLY HA2 H 4.056 0.002 2 990 117 117 GLY HA3 H 3.813 0.001 2 991 117 117 GLY C C 174.365 . 1 992 117 117 GLY CA C 46.066 0.01 1 993 117 117 GLY N N 105.952 0.009 1 994 118 118 LYS H H 7.721 0.004 1 995 118 118 LYS HA H 4.036 0.003 1 996 118 118 LYS HB2 H 1.315 0.004 2 997 118 118 LYS HB3 H 1.601 0.005 2 998 118 118 LYS HG2 H 1.262 0.003 2 999 118 118 LYS HG3 H 1.082 0.007 2 1000 118 118 LYS HD2 H 1.430 0.007 2 1001 118 118 LYS HD3 H 1.430 0.008 2 1002 118 118 LYS HE2 H 2.842 0.002 1 1003 118 118 LYS HE3 H 2.842 0.002 1 1004 118 118 LYS C C 175.620 . 1 1005 118 118 LYS CA C 58.039 0.049 1 1006 118 118 LYS CB C 32.592 0.04 1 1007 118 118 LYS CG C 25.095 0.077 1 1008 118 118 LYS CD C 28.924 0.048 1 1009 118 118 LYS CE C 42.104 0.018 1 1010 118 118 LYS N N 118.473 0.001 1 1011 119 119 PHE H H 8.252 0.005 1 1012 119 119 PHE HA H 5.016 0.003 1 1013 119 119 PHE HB2 H 2.424 0.005 2 1014 119 119 PHE HB3 H 2.984 . 2 1015 119 119 PHE HD1 H 7.114 0.006 3 1016 119 119 PHE HD2 H 7.114 0.006 3 1017 119 119 PHE HE1 H 6.776 0.003 3 1018 119 119 PHE HE2 H 6.776 0.003 3 1019 119 119 PHE HZ H 6.533 0.002 1 1020 119 119 PHE C C 176.477 . 1 1021 119 119 PHE CA C 56.762 0.004 1 1022 119 119 PHE CB C 42.443 0.016 1 1023 119 119 PHE CD1 C 132.296 0.057 3 1024 119 119 PHE CD2 C 132.296 0.057 3 1025 119 119 PHE CE1 C 130.505 0.044 3 1026 119 119 PHE CE2 C 130.505 0.044 3 1027 119 119 PHE CZ C 129.105 0.045 1 1028 119 119 PHE N N 114.490 0.005 1 1029 120 120 THR H H 8.539 0.007 1 1030 120 120 THR HA H 4.425 0.003 1 1031 120 120 THR HB H 3.931 0.004 1 1032 120 120 THR HG2 H 1.228 0.006 1 1033 120 120 THR C C 173.337 . 1 1034 120 120 THR CA C 62.038 0.024 1 1035 120 120 THR CB C 70.090 0.034 1 1036 120 120 THR CG2 C 21.739 0.023 1 1037 120 120 THR N N 118.873 0.026 1 1038 121 121 LEU H H 8.956 0.015 1 1039 121 121 LEU HA H 5.092 0.003 1 1040 121 121 LEU HB2 H 1.379 . 2 1041 121 121 LEU HB3 H 1.731 . 2 1042 121 121 LEU HG H 1.730 0.0 1 1043 121 121 LEU HD1 H 0.757 0.001 2 1044 121 121 LEU HD2 H 0.906 0.002 2 1045 121 121 LEU C C 178.286 . 1 1046 121 121 LEU CA C 54.089 0.016 1 1047 121 121 LEU CB C 41.860 0.034 1 1048 121 121 LEU CG C 28.233 . 1 1049 121 121 LEU CD1 C 25.392 0.004 2 1050 121 121 LEU CD2 C 24.495 0.018 2 1051 121 121 LEU N N 126.426 0.005 1 1052 122 122 VAL H H 7.932 0.014 1 1053 122 122 VAL HA H 3.947 0.0 1 1054 122 122 VAL HB H 1.996 0.003 1 1055 122 122 VAL HG1 H 1.050 0.002 2 1056 122 122 VAL HG2 H 0.830 0.001 2 1057 122 122 VAL C C 176.891 . 1 1058 122 122 VAL CA C 63.412 . 1 1059 122 122 VAL CB C 32.472 . 1 1060 122 122 VAL CG1 C 21.307 0.03 2 1061 122 122 VAL CG2 C 22.555 0.004 2 1062 122 122 VAL N N 123.765 0.004 1 1063 123 123 SER H H 9.131 0.014 1 1064 123 123 SER HA H 4.445 0.005 1 1065 123 123 SER HB2 H 4.106 0.008 2 1066 123 123 SER HB3 H 4.423 0.005 2 1067 123 123 SER C C 174.560 . 1 1068 123 123 SER CA C 57.975 0.025 1 1069 123 123 SER CB C 65.428 0.039 1 1070 123 123 SER N N 127.276 0.01 1 1071 124 124 ALA H H 9.028 0.01 1 1072 124 124 ALA HA H 4.058 0.005 1 1073 124 124 ALA HB H 1.443 0.001 1 1074 124 124 ALA C C 180.757 . 1 1075 124 124 ALA CA C 55.379 . 1 1076 124 124 ALA CB C 18.026 0.006 1 1077 124 124 ALA N N 124.708 0.018 1 1078 125 125 GLN H H 8.594 0.01 1 1079 125 125 GLN HA H 4.101 0.003 1 1080 125 125 GLN HB2 H 1.989 0.0 2 1081 125 125 GLN HB3 H 2.117 0.004 2 1082 125 125 GLN HG2 H 2.428 0.008 1 1083 125 125 GLN HG3 H 2.428 0.008 1 1084 125 125 GLN HE21 H 6.867 0.001 1 1085 125 125 GLN HE22 H 7.455 0.003 1 1086 125 125 GLN C C 178.419 . 1 1087 125 125 GLN CA C 59.253 . 1 1088 125 125 GLN CB C 28.174 0.061 1 1089 125 125 GLN CG C 33.911 . 1 1090 125 125 GLN CD C 180.260 0.008 1 1091 125 125 GLN N N 118.359 0.01 1 1092 125 125 GLN NE2 N 111.760 0.023 1 1093 126 126 GLN H H 7.907 0.01 1 1094 126 126 GLN HA H 3.983 0.006 1 1095 126 126 GLN HB2 H 1.892 0.0 1 1096 126 126 GLN HB3 H 1.892 0.0 1 1097 126 126 GLN HG2 H 2.451 0.001 1 1098 126 126 GLN HG3 H 2.451 0.001 1 1099 126 126 GLN HE21 H 7.629 0.012 1 1100 126 126 GLN HE22 H 6.865 0.0 1 1101 126 126 GLN C C 179.090 . 1 1102 126 126 GLN CA C 58.929 0.004 1 1103 126 126 GLN CB C 29.084 0.001 1 1104 126 126 GLN CG C 34.593 0.057 1 1105 126 126 GLN CD C 179.809 0.012 1 1106 126 126 GLN N N 120.054 0.003 1 1107 126 126 GLN NE2 N 111.787 0.0 1 1108 127 127 LEU H H 8.100 0.0 1 1109 127 127 LEU HA H 3.937 0.001 1 1110 127 127 LEU HB2 H 1.442 0.002 2 1111 127 127 LEU HB3 H 1.926 0.003 2 1112 127 127 LEU HG H 1.560 0.004 1 1113 127 127 LEU HD1 H 0.926 0.003 2 1114 127 127 LEU HD2 H 0.891 0.002 2 1115 127 127 LEU C C 177.893 . 1 1116 127 127 LEU CA C 58.050 0.04 1 1117 127 127 LEU CB C 41.704 0.01 1 1118 127 127 LEU CG C 27.037 0.012 1 1119 127 127 LEU CD1 C 25.527 0.013 2 1120 127 127 LEU CD2 C 24.493 0.029 2 1121 127 127 LEU N N 119.998 0.019 1 1122 128 128 SER H H 8.258 0.008 1 1123 128 128 SER HB2 H 3.991 0.011 2 1124 128 128 SER HB3 H 3.971 0.01 2 1125 128 128 SER C C 177.333 . 1 1126 128 128 SER CA C 62.123 . 1 1127 128 128 SER CB C 62.821 0.048 1 1128 128 128 SER N N 114.373 0.006 1 1129 129 129 MET H H 7.918 0.009 1 1130 129 129 MET HA H 4.246 0.006 1 1131 129 129 MET HB2 H 2.142 0.001 1 1132 129 129 MET HB3 H 2.142 0.001 1 1133 129 129 MET HG2 H 2.696 0.001 2 1134 129 129 MET HG3 H 2.566 0.002 2 1135 129 129 MET C C 178.083 . 1 1136 129 129 MET CA C 58.410 0.004 1 1137 129 129 MET CB C 32.333 0.061 1 1138 129 129 MET CG C 32.124 0.031 1 1139 129 129 MET N N 120.405 0.003 1 1140 130 130 ALA H H 8.023 0.004 1 1141 130 130 ALA HA H 4.113 . 1 1142 130 130 ALA HB H 1.444 0.004 1 1143 130 130 ALA C C 180.056 . 1 1144 130 130 ALA CA C 55.068 . 1 1145 130 130 ALA CB C 19.307 0.034 1 1146 130 130 ALA N N 122.811 0.009 1 1147 131 131 LYS H H 8.216 0.004 1 1148 131 131 LYS HA H 3.710 0.005 1 1149 131 131 LYS HB2 H 1.690 0.001 2 1150 131 131 LYS HB3 H 1.693 0.005 2 1151 131 131 LYS HG2 H 1.084 0.002 2 1152 131 131 LYS HG3 H 1.705 0.004 2 1153 131 131 LYS HD2 H 1.715 0.005 2 1154 131 131 LYS HD3 H 1.648 0.001 2 1155 131 131 LYS HE2 H 2.622 0.005 2 1156 131 131 LYS HE3 H 2.761 0.003 2 1157 131 131 LYS C C 178.321 . 1 1158 131 131 LYS CA C 60.930 0.027 1 1159 131 131 LYS CB C 32.371 0.047 1 1160 131 131 LYS CG C 27.255 0.023 1 1161 131 131 LYS CD C 30.297 0.03 1 1162 131 131 LYS CE C 42.306 0.02 1 1163 131 131 LYS N N 115.973 0.014 1 1164 132 132 GLN H H 7.814 0.004 1 1165 132 132 GLN HA H 4.209 0.005 1 1166 132 132 GLN HB2 H 2.217 0.001 1 1167 132 132 GLN HB3 H 2.217 0.001 1 1168 132 132 GLN HG2 H 2.515 0.001 2 1169 132 132 GLN HG3 H 2.360 0.004 2 1170 132 132 GLN HE21 H 7.319 0.01 1 1171 132 132 GLN HE22 H 6.788 0.008 1 1172 132 132 GLN C C 180.031 . 1 1173 132 132 GLN CA C 59.139 . 1 1174 132 132 GLN CB C 28.753 0.011 1 1175 132 132 GLN CG C 34.354 0.021 1 1176 132 132 GLN CD C 180.059 0.005 1 1177 132 132 GLN N N 118.311 0.012 1 1178 132 132 GLN NE2 N 111.479 0.0 1 1179 133 133 GLN H H 8.184 0.01 1 1180 133 133 GLN HA H 4.061 0.005 1 1181 133 133 GLN HB2 H 2.196 0.005 2 1182 133 133 GLN HB3 H 2.105 0.003 2 1183 133 133 GLN HG2 H 2.427 0.002 2 1184 133 133 GLN HG3 H 2.566 0.004 2 1185 133 133 GLN HE21 H 6.780 0.009 1 1186 133 133 GLN HE22 H 7.374 0.0 1 1187 133 133 GLN C C 177.492 . 1 1188 133 133 GLN CA C 58.553 0.033 1 1189 133 133 GLN CB C 28.441 0.036 1 1190 133 133 GLN CG C 34.159 0.015 1 1191 133 133 GLN CD C 180.032 0.008 1 1192 133 133 GLN N N 119.817 0.003 1 1193 133 133 GLN NE2 N 111.139 0.001 1 1194 134 134 LEU H H 7.537 0.007 1 1195 134 134 LEU HA H 4.387 0.002 1 1196 134 134 LEU HB2 H 1.722 0.013 2 1197 134 134 LEU HB3 H 1.642 0.0 2 1198 134 134 LEU HG H 1.738 0.0 1 1199 134 134 LEU HD1 H 0.833 0.0 2 1200 134 134 LEU HD2 H 0.792 0.0 2 1201 134 134 LEU C C 177.011 . 1 1202 134 134 LEU CA C 54.643 0.009 1 1203 134 134 LEU CB C 42.590 0.01 1 1204 134 134 LEU CG C 27.670 0.028 1 1205 134 134 LEU CD1 C 23.143 0.001 2 1206 134 134 LEU CD2 C 25.340 0.008 2 1207 134 134 LEU N N 118.048 0.009 1 1208 135 135 GLY H H 7.808 0.0 1 1209 135 135 GLY HA2 H 3.808 . 2 1210 135 135 GLY HA3 H 4.047 . 2 1211 135 135 GLY C C 174.507 . 1 1212 135 135 GLY CA C 46.108 . 1 1213 135 135 GLY N N 107.930 0.005 1 1214 136 136 LEU H H 8.074 0.012 1 1215 136 136 LEU HA H 4.541 0.001 1 1216 136 136 LEU HB2 H 1.642 0.007 2 1217 136 136 LEU HB3 H 1.464 0.003 2 1218 136 136 LEU HG H 1.597 0.001 1 1219 136 136 LEU HD1 H 0.840 0.006 2 1220 136 136 LEU HD2 H 0.839 0.008 2 1221 136 136 LEU C C 176.560 . 1 1222 136 136 LEU CA C 53.594 0.016 1 1223 136 136 LEU CB C 42.991 0.041 1 1224 136 136 LEU CG C 27.147 0.008 1 1225 136 136 LEU CD1 C 22.913 0.02 2 1226 136 136 LEU CD2 C 25.966 0.016 2 1227 136 136 LEU N N 120.357 0.001 1 1228 137 137 SER H H 8.852 0.001 1 1229 137 137 SER HA H 4.730 . 1 1230 137 137 SER HB2 H 4.032 0.002 2 1231 137 137 SER HB3 H 3.867 0.001 2 1232 137 137 SER C C 174.656 . 1 1233 137 137 SER CA C 56.467 . 1 1234 137 137 SER CB C 63.455 0.021 1 1235 137 137 SER N N 118.417 0.002 1 1236 138 138 PRO HA H 4.225 0.002 1 1237 138 138 PRO HB2 H 2.390 0.001 2 1238 138 138 PRO HB3 H 1.928 0.001 2 1239 138 138 PRO HG2 H 2.112 0.001 2 1240 138 138 PRO HG3 H 1.999 0.005 2 1241 138 138 PRO HD2 H 3.897 0.0 2 1242 138 138 PRO HD3 H 3.829 0.0 2 1243 138 138 PRO C C 177.560 . 1 1244 138 138 PRO CA C 65.266 0.017 1 1245 138 138 PRO CB C 32.096 0.021 1 1246 138 138 PRO CG C 27.853 0.044 1 1247 138 138 PRO CD C 50.845 0.003 1 1248 139 139 GLN H H 8.024 0.008 1 1249 139 139 GLN HA H 4.273 0.006 1 1250 139 139 GLN HB2 H 1.939 0.003 2 1251 139 139 GLN HB3 H 2.186 0.005 2 1252 139 139 GLN HG2 H 2.355 0.002 1 1253 139 139 GLN HG3 H 2.355 0.002 1 1254 139 139 GLN C C 176.293 . 1 1255 139 139 GLN CA C 56.073 0.007 1 1256 139 139 GLN CB C 28.734 0.069 1 1257 139 139 GLN CG C 34.089 0.053 1 1258 139 139 GLN N N 113.852 0.011 1 1259 140 140 ASP H H 7.657 0.007 1 1260 140 140 ASP HA H 4.590 0.012 1 1261 140 140 ASP HB2 H 2.827 0.003 2 1262 140 140 ASP HB3 H 2.678 0.001 2 1263 140 140 ASP C C 176.407 . 1 1264 140 140 ASP CA C 55.012 0.064 1 1265 140 140 ASP CB C 41.841 0.016 1 1266 140 140 ASP N N 121.584 0.002 1 1267 141 141 SER H H 8.479 0.0 1 1268 141 141 SER HA H 4.581 0.002 1 1269 141 141 SER HB2 H 4.073 0.002 2 1270 141 141 SER HB3 H 3.921 . 2 1271 141 141 SER C C 174.638 . 1 1272 141 141 SER CA C 57.729 0.041 1 1273 141 141 SER CB C 64.396 0.019 1 1274 141 141 SER N N 117.327 0.008 1 1275 142 142 LEU H H 9.184 0.009 1 1276 142 142 LEU HA H 4.100 0.001 1 1277 142 142 LEU HB2 H 1.816 0.011 2 1278 142 142 LEU HB3 H 1.445 . 2 1279 142 142 LEU HG H 1.780 0.008 1 1280 142 142 LEU HD1 H 0.750 0.006 2 1281 142 142 LEU HD2 H 0.737 0.004 2 1282 142 142 LEU C C 177.284 . 1 1283 142 142 LEU CA C 55.774 . 1 1284 142 142 LEU CB C 41.260 0.006 1 1285 142 142 LEU CG C 26.961 0.017 1 1286 142 142 LEU CD1 C 25.612 0.018 2 1287 142 142 LEU CD2 C 23.935 0.006 2 1288 142 142 LEU N N 121.973 0.002 1 1289 143 143 GLY H H 8.279 0.001 1 1290 143 143 GLY HA2 H 3.947 0.002 2 1291 143 143 GLY HA3 H 3.750 0.003 2 1292 143 143 GLY C C 174.932 . 1 1293 143 143 GLY CA C 46.219 0.017 1 1294 143 143 GLY N N 105.047 0.005 1 1295 144 144 THR H H 7.650 0.005 1 1296 144 144 THR HA H 4.406 0.0 1 1297 144 144 THR HB H 4.372 0.002 1 1298 144 144 THR HG2 H 1.235 0.002 1 1299 144 144 THR C C 174.957 . 1 1300 144 144 THR CA C 61.005 0.004 1 1301 144 144 THR CB C 70.202 0.01 1 1302 144 144 THR CG2 C 22.043 0.01 1 1303 144 144 THR N N 113.208 0.004 1 1304 145 145 ARG H H 8.758 0.0 1 1305 145 145 ARG HA H 4.021 0.002 1 1306 145 145 ARG HB2 H 1.852 0.0 1 1307 145 145 ARG HB3 H 1.852 0.0 1 1308 145 145 ARG HG2 H 1.666 0.002 2 1309 145 145 ARG HG3 H 1.608 0.004 2 1310 145 145 ARG HD2 H 3.195 0.005 1 1311 145 145 ARG HD3 H 3.195 0.005 1 1312 145 145 ARG HE H 7.063 0.002 1 1313 145 145 ARG C C 177.630 . 1 1314 145 145 ARG CA C 59.676 0.004 1 1315 145 145 ARG CB C 29.891 . 1 1316 145 145 ARG CG C 27.501 0.021 1 1317 145 145 ARG CD C 43.491 0.01 1 1318 145 145 ARG N N 125.189 0.024 1 1319 145 145 ARG NE N 84.324 . 1 1320 146 146 SER H H 8.443 0.0 1 1321 146 146 SER HA H 4.097 0.005 1 1322 146 146 SER HB2 H 3.882 0.0 1 1323 146 146 SER HB3 H 3.882 0.0 1 1324 146 146 SER C C 177.531 . 1 1325 146 146 SER CA C 61.516 . 1 1326 146 146 SER CB C 62.210 0.014 1 1327 146 146 SER N N 112.109 0.008 1 1328 147 147 LYS H H 7.444 0.003 1 1329 147 147 LYS HA H 4.170 0.005 1 1330 147 147 LYS HB2 H 1.814 0.001 2 1331 147 147 LYS HB3 H 1.947 0.003 2 1332 147 147 LYS HG2 H 1.518 0.005 2 1333 147 147 LYS HG3 H 1.453 0.003 2 1334 147 147 LYS HD2 H 1.707 0.0 1 1335 147 147 LYS HD3 H 1.707 0.0 1 1336 147 147 LYS HE2 H 2.990 0.003 1 1337 147 147 LYS HE3 H 2.990 0.003 1 1338 147 147 LYS C C 177.856 . 1 1339 147 147 LYS CA C 58.686 0.013 1 1340 147 147 LYS CB C 32.413 0.046 1 1341 147 147 LYS CG C 25.649 0.018 1 1342 147 147 LYS CD C 29.293 0.001 1 1343 147 147 LYS CE C 42.197 0.01 1 1344 147 147 LYS N N 122.809 0.014 1 1345 148 148 ALA H H 8.013 0.008 1 1346 148 148 ALA HA H 3.890 0.002 1 1347 148 148 ALA HB H 1.495 0.002 1 1348 148 148 ALA C C 179.284 . 1 1349 148 148 ALA CA C 55.571 . 1 1350 148 148 ALA CB C 19.343 0.018 1 1351 148 148 ALA N N 121.555 0.017 1 1352 149 149 ILE H H 8.293 0.01 1 1353 149 149 ILE HA H 3.530 0.003 1 1354 149 149 ILE HB H 1.857 0.011 1 1355 149 149 ILE HG12 H 1.697 0.001 2 1356 149 149 ILE HG13 H 1.170 0.001 2 1357 149 149 ILE HG2 H 0.861 0.001 1 1358 149 149 ILE HD1 H 0.859 0.005 1 1359 149 149 ILE C C 177.584 . 1 1360 149 149 ILE CA C 65.002 . 1 1361 149 149 ILE CB C 37.656 . 1 1362 149 149 ILE CG1 C 29.887 0.002 1 1363 149 149 ILE CG2 C 17.042 0.01 1 1364 149 149 ILE CD1 C 13.088 0.017 1 1365 149 149 ILE N N 116.550 0.005 1 1366 150 150 GLY H H 7.680 0.004 1 1367 150 150 GLY HA2 H 3.860 0.0 2 1368 150 150 GLY HA3 H 3.728 0.003 2 1369 150 150 GLY C C 176.883 . 1 1370 150 150 GLY CA C 47.324 0.007 1 1371 150 150 GLY N N 106.997 0.0 1 1372 151 151 ILE H H 8.077 0.012 1 1373 151 151 ILE HA H 3.540 0.0 1 1374 151 151 ILE HB H 1.805 0.0 1 1375 151 151 ILE HG12 H 1.655 0.004 2 1376 151 151 ILE HG13 H 0.936 0.003 2 1377 151 151 ILE HG2 H 0.712 0.0 1 1378 151 151 ILE HD1 H 0.708 0.001 1 1379 151 151 ILE C C 177.367 . 1 1380 151 151 ILE CA C 64.875 . 1 1381 151 151 ILE CB C 37.416 0.007 1 1382 151 151 ILE CG1 C 29.300 0.076 1 1383 151 151 ILE CG2 C 17.612 0.047 1 1384 151 151 ILE CD1 C 13.927 0.022 1 1385 151 151 ILE N N 122.296 0.014 1 1386 152 152 ALA H H 8.530 0.008 1 1387 152 152 ALA HA H 3.806 . 1 1388 152 152 ALA HB H 1.354 0.001 1 1389 152 152 ALA C C 179.805 . 1 1390 152 152 ALA CA C 55.189 . 1 1391 152 152 ALA CB C 19.407 . 1 1392 152 152 ALA N N 120.866 0.0 1 1393 153 153 ARG H H 8.564 0.005 1 1394 153 153 ARG HA H 4.072 . 1 1395 153 153 ARG HB2 H 1.818 . 1 1396 153 153 ARG HB3 H 1.818 . 1 1397 153 153 ARG HG2 H 1.809 0.004 2 1398 153 153 ARG HG3 H 1.549 0.0 2 1399 153 153 ARG HD2 H 3.090 0.002 1 1400 153 153 ARG HD3 H 3.090 0.002 1 1401 153 153 ARG HE H 6.920 0.006 1 1402 153 153 ARG C C 179.432 . 1 1403 153 153 ARG CA C 59.251 . 1 1404 153 153 ARG CB C 29.964 . 1 1405 153 153 ARG CG C 28.409 0.015 1 1406 153 153 ARG CD C 43.642 0.003 1 1407 153 153 ARG N N 116.459 0.038 1 1408 153 153 ARG NE N 85.004 . 1 1409 154 154 ASN H H 7.674 0.0 1 1410 154 154 ASN HA H 4.440 0.001 1 1411 154 154 ASN HB2 H 2.887 0.002 1 1412 154 154 ASN HB3 H 2.887 0.002 1 1413 154 154 ASN HD21 H 6.805 0.001 1 1414 154 154 ASN HD22 H 7.398 0.0 1 1415 154 154 ASN C C 177.180 . 1 1416 154 154 ASN CA C 56.527 . 1 1417 154 154 ASN CB C 39.322 0.001 1 1418 154 154 ASN CG C 175.211 0.006 1 1419 154 154 ASN N N 119.152 0.014 1 1420 154 154 ASN ND2 N 109.852 0.003 1 1421 155 155 VAL H H 7.754 0.0 1 1422 155 155 VAL HA H 4.450 0.001 1 1423 155 155 VAL HB H 2.409 0.003 1 1424 155 155 VAL HG1 H 1.001 0.001 2 1425 155 155 VAL HG2 H 0.853 0.001 2 1426 155 155 VAL C C 175.169 . 1 1427 155 155 VAL CA C 60.901 0.01 1 1428 155 155 VAL CB C 31.930 0.0 1 1429 155 155 VAL CG1 C 22.157 0.008 2 1430 155 155 VAL CG2 C 20.819 0.01 2 1431 155 155 VAL N N 109.163 0.007 1 1432 156 156 GLY H H 7.590 0.0 1 1433 156 156 GLY HA2 H 4.017 0.0 2 1434 156 156 GLY HA3 H 3.736 0.0 2 1435 156 156 GLY C C 174.628 . 1 1436 156 156 GLY CA C 45.937 0.003 1 1437 156 156 GLY N N 109.022 0.001 1 1438 157 157 ALA H H 8.266 0.0 1 1439 157 157 ALA HA H 4.118 . 1 1440 157 157 ALA HB H 1.212 0.002 1 1441 157 157 ALA C C 176.377 . 1 1442 157 157 ALA CA C 51.492 . 1 1443 157 157 ALA CB C 19.781 0.003 1 1444 157 157 ALA N N 120.391 0.006 1 1445 158 158 HIS H H 8.808 0.008 1 1446 158 158 HIS HA H 4.493 . 1 1447 158 158 HIS HB2 H 2.956 0.005 2 1448 158 158 HIS HB3 H 3.234 0.001 2 1449 158 158 HIS HD2 H 6.709 0.002 1 1450 158 158 HIS HE1 H 8.412 0.001 1 1451 158 158 HIS C C 175.363 . 1 1452 158 158 HIS CA C 56.433 . 1 1453 158 158 HIS CB C 31.757 0.016 1 1454 158 158 HIS CD2 C 118.369 . 1 1455 158 158 HIS CE1 C 137.250 0.032 1 1456 158 158 HIS N N 119.967 0.014 1 1457 158 158 HIS ND1 N 197.953 . 1 1458 158 158 HIS NE2 N 171.649 . 1 1459 159 159 TYR H H 7.873 0.005 1 1460 159 159 TYR HA H 5.720 0.006 1 1461 159 159 TYR HB2 H 2.939 0.01 2 1462 159 159 TYR HB3 H 2.475 0.004 2 1463 159 159 TYR HD1 H 6.947 0.001 3 1464 159 159 TYR HD2 H 6.947 0.001 3 1465 159 159 TYR HE1 H 7.034 0.003 3 1466 159 159 TYR HE2 H 7.034 0.003 3 1467 159 159 TYR C C 174.383 . 1 1468 159 159 TYR CA C 55.652 0.017 1 1469 159 159 TYR CB C 44.483 0.032 1 1470 159 159 TYR CD1 C 133.111 0.046 3 1471 159 159 TYR CD2 C 133.111 0.046 3 1472 159 159 TYR CE1 C 118.912 0.08 3 1473 159 159 TYR CE2 C 118.912 0.08 3 1474 159 159 TYR N N 115.212 0.002 1 1475 160 160 VAL H H 8.907 0.001 1 1476 160 160 VAL HA H 4.793 0.003 1 1477 160 160 VAL HB H 1.601 0.002 1 1478 160 160 VAL HG1 H 0.643 0.001 2 1479 160 160 VAL HG2 H 0.222 0.004 2 1480 160 160 VAL C C 173.032 . 1 1481 160 160 VAL CA C 60.534 0.003 1 1482 160 160 VAL CB C 35.619 0.003 1 1483 160 160 VAL CG1 C 22.043 0.017 2 1484 160 160 VAL CG2 C 20.070 0.025 2 1485 160 160 VAL N N 120.870 0.002 1 1486 161 161 LEU H H 8.679 0.0 1 1487 161 161 LEU HA H 5.227 0.002 1 1488 161 161 LEU HB2 H 1.792 0.004 2 1489 161 161 LEU HB3 H 1.003 0.004 2 1490 161 161 LEU HG H 1.435 0.006 1 1491 161 161 LEU HD1 H 0.831 0.003 2 1492 161 161 LEU HD2 H 0.966 0.002 2 1493 161 161 LEU C C 175.029 . 1 1494 161 161 LEU CA C 53.214 0.025 1 1495 161 161 LEU CB C 45.443 0.006 1 1496 161 161 LEU CG C 27.273 0.055 1 1497 161 161 LEU CD1 C 23.769 0.014 2 1498 161 161 LEU CD2 C 28.130 0.014 2 1499 161 161 LEU N N 127.713 0.007 1 1500 162 162 TYR H H 9.401 0.013 1 1501 162 162 TYR HA H 4.859 0.002 1 1502 162 162 TYR HB2 H 2.879 0.006 2 1503 162 162 TYR HB3 H 3.133 0.005 2 1504 162 162 TYR HD1 H 7.087 0.002 3 1505 162 162 TYR HD2 H 7.087 0.002 3 1506 162 162 TYR HE1 H 6.642 0.001 3 1507 162 162 TYR HE2 H 6.642 0.001 3 1508 162 162 TYR C C 174.999 . 1 1509 162 162 TYR CA C 57.483 0.012 1 1510 162 162 TYR CB C 40.900 0.015 1 1511 162 162 TYR CD1 C 133.048 0.034 3 1512 162 162 TYR CD2 C 133.048 0.034 3 1513 162 162 TYR CE1 C 118.004 0.029 3 1514 162 162 TYR CE2 C 118.004 0.029 3 1515 162 162 TYR N N 129.946 0.017 1 1516 163 163 SER H H 8.765 0.005 1 1517 163 163 SER HA H 5.549 0.004 1 1518 163 163 SER HB2 H 3.599 0.003 2 1519 163 163 SER HB3 H 3.461 0.001 2 1520 163 163 SER C C 173.621 . 1 1521 163 163 SER CA C 58.315 0.018 1 1522 163 163 SER CB C 66.774 0.009 1 1523 163 163 SER N N 116.344 0.003 1 1524 164 164 SER H H 8.942 0.005 1 1525 164 164 SER HA H 5.174 . 1 1526 164 164 SER HB2 H 3.629 0.0 2 1527 164 164 SER HB3 H 3.822 0.002 2 1528 164 164 SER C C 172.210 . 1 1529 164 164 SER CA C 56.728 . 1 1530 164 164 SER CB C 66.224 0.017 1 1531 164 164 SER N N 114.581 0.002 1 1532 165 165 ALA H H 8.780 0.001 1 1533 165 165 ALA HA H 5.470 0.001 1 1534 165 165 ALA HB H 1.177 0.001 1 1535 165 165 ALA C C 174.550 . 1 1536 165 165 ALA CA C 49.481 . 1 1537 165 165 ALA CB C 20.010 0.012 1 1538 165 165 ALA N N 126.629 0.008 1 1539 166 166 SER H H 9.376 0.0 1 1540 166 166 SER HA H 4.440 . 1 1541 166 166 SER HB2 H 3.629 . 2 1542 166 166 SER HB3 H 3.827 0.006 2 1543 166 166 SER C C 172.972 . 1 1544 166 166 SER CA C 56.699 . 1 1545 166 166 SER CB C 66.218 0.007 1 1546 166 166 SER N N 117.524 0.008 1 1547 167 167 GLY H H 8.279 0.0 1 1548 167 167 GLY HA2 H 3.602 0.002 2 1549 167 167 GLY HA3 H 4.288 0.004 2 1550 167 167 GLY C C 173.509 . 1 1551 167 167 GLY CA C 45.163 0.046 1 1552 167 167 GLY N N 108.113 0.006 1 1553 168 168 ASN H H 8.530 0.0 1 1554 168 168 ASN HA H 4.488 0.002 1 1555 168 168 ASN HB2 H 2.748 0.003 1 1556 168 168 ASN HB3 H 2.748 0.003 1 1557 168 168 ASN HD21 H 7.133 0.01 1 1558 168 168 ASN HD22 H 7.823 0.001 1 1559 168 168 ASN C C 177.496 . 1 1560 168 168 ASN CA C 52.716 0.001 1 1561 168 168 ASN CB C 39.785 0.006 1 1562 168 168 ASN CG C 177.302 0.015 1 1563 168 168 ASN N N 123.082 0.013 1 1564 168 168 ASN ND2 N 113.727 0.004 1 1565 169 169 VAL H H 8.959 0.001 1 1566 169 169 VAL HA H 3.681 0.0 1 1567 169 169 VAL HB H 2.053 . 1 1568 169 169 VAL HG1 H 0.902 0.009 2 1569 169 169 VAL HG2 H 0.919 0.006 2 1570 169 169 VAL C C 175.643 . 1 1571 169 169 VAL CA C 64.759 . 1 1572 169 169 VAL CB C 31.835 0.0 1 1573 169 169 VAL CG1 C 19.773 0.023 2 1574 169 169 VAL CG2 C 21.646 0.001 2 1575 169 169 VAL N N 125.917 0.006 1 1576 170 170 ASN H H 8.553 0.008 1 1577 170 170 ASN HA H 4.521 0.008 1 1578 170 170 ASN HB2 H 2.658 0.001 2 1579 170 170 ASN HB3 H 2.717 0.024 2 1580 170 170 ASN HD21 H 6.974 0.01 1 1581 170 170 ASN HD22 H 7.562 0.011 1 1582 170 170 ASN C C 175.588 . 1 1583 170 170 ASN CA C 54.993 . 1 1584 170 170 ASN CB C 38.803 0.036 1 1585 170 170 ASN CG C 176.418 0.009 1 1586 170 170 ASN N N 118.750 0.007 1 1587 170 170 ASN ND2 N 113.894 0.0 1 1588 171 171 ALA H H 7.726 0.008 1 1589 171 171 ALA HA H 4.722 . 1 1590 171 171 ALA HB H 1.284 0.001 1 1591 171 171 ALA C C 172.344 . 1 1592 171 171 ALA CA C 51.087 . 1 1593 171 171 ALA CB C 18.119 0.009 1 1594 171 171 ALA N N 120.265 0.006 1 1595 172 172 PRO HA H 4.671 . 1 1596 172 172 PRO HB2 H 1.921 0.001 2 1597 172 172 PRO HB3 H 1.442 0.001 2 1598 172 172 PRO HG2 H 1.221 0.007 2 1599 172 172 PRO HG3 H 1.512 0.006 2 1600 172 172 PRO HD2 H 3.646 0.006 2 1601 172 172 PRO HD3 H 3.390 0.008 2 1602 172 172 PRO C C 175.260 . 1 1603 172 172 PRO CA C 63.708 . 1 1604 172 172 PRO CB C 32.842 0.051 1 1605 172 172 PRO CG C 26.086 0.012 1 1606 172 172 PRO CD C 49.451 0.005 1 1607 173 173 THR H H 8.795 0.006 1 1608 173 173 THR HA H 4.610 0.0 1 1609 173 173 THR HB H 3.846 0.001 1 1610 173 173 THR HG2 H 1.053 0.001 1 1611 173 173 THR C C 173.912 . 1 1612 173 173 THR CA C 61.959 0.018 1 1613 173 173 THR CB C 70.177 0.015 1 1614 173 173 THR CG2 C 21.746 0.064 1 1615 173 173 THR N N 115.724 0.004 1 1616 174 174 LEU H H 9.348 0.0 1 1617 174 174 LEU HA H 5.173 0.008 1 1618 174 174 LEU HB2 H 1.249 0.001 2 1619 174 174 LEU HB3 H 1.773 0.003 2 1620 174 174 LEU HG H 1.382 0.011 1 1621 174 174 LEU HD1 H 0.866 0.004 2 1622 174 174 LEU HD2 H 0.945 0.001 2 1623 174 174 LEU C C 174.373 . 1 1624 174 174 LEU CA C 53.342 0.014 1 1625 174 174 LEU CB C 44.696 0.015 1 1626 174 174 LEU CG C 27.657 0.08 1 1627 174 174 LEU CD1 C 23.334 0.017 2 1628 174 174 LEU CD2 C 28.042 0.05 2 1629 174 174 LEU N N 129.818 0.009 1 1630 175 175 GLN H H 9.125 0.009 1 1631 175 175 GLN HA H 5.249 0.003 1 1632 175 175 GLN HB2 H 2.007 0.002 2 1633 175 175 GLN HB3 H 1.894 0.003 2 1634 175 175 GLN HG2 H 2.203 0.001 2 1635 175 175 GLN HG3 H 2.112 0.004 2 1636 175 175 GLN HE21 H 6.775 0.001 1 1637 175 175 GLN HE22 H 7.087 0.001 1 1638 175 175 GLN C C 175.058 . 1 1639 175 175 GLN CA C 54.216 0.025 1 1640 175 175 GLN CB C 32.040 0.01 1 1641 175 175 GLN CG C 34.515 0.039 1 1642 175 175 GLN CD C 179.773 0.015 1 1643 175 175 GLN N N 124.824 0.001 1 1644 175 175 GLN NE2 N 110.787 0.004 1 1645 176 176 MET H H 8.568 0.003 1 1646 176 176 MET HA H 5.566 0.004 1 1647 176 176 MET HB2 H 1.961 0.001 2 1648 176 176 MET HB3 H 2.171 0.0 2 1649 176 176 MET HG2 H 2.275 . 2 1650 176 176 MET HG3 H 2.861 0.008 2 1651 176 176 MET HE H 2.051 0.001 1 1652 176 176 MET C C 175.098 . 1 1653 176 176 MET CA C 54.701 0.009 1 1654 176 176 MET CB C 38.939 0.011 1 1655 176 176 MET CG C 32.457 0.018 1 1656 176 176 MET CE C 18.397 0.027 1 1657 176 176 MET N N 121.856 0.006 1 1658 177 177 GLN H H 9.143 0.006 1 1659 177 177 GLN HA H 5.036 0.009 1 1660 177 177 GLN HB2 H 2.010 0.001 1 1661 177 177 GLN HB3 H 2.010 0.001 1 1662 177 177 GLN HG2 H 2.288 0.001 2 1663 177 177 GLN HG3 H 2.210 0.001 2 1664 177 177 GLN HE21 H 6.507 0.001 1 1665 177 177 GLN HE22 H 7.286 0.012 1 1666 177 177 GLN C C 173.115 . 1 1667 177 177 GLN CA C 55.541 0.056 1 1668 177 177 GLN CB C 33.539 0.031 1 1669 177 177 GLN CG C 34.183 0.077 1 1670 177 177 GLN CD C 179.737 0.008 1 1671 177 177 GLN N N 118.183 0.001 1 1672 177 177 GLN NE2 N 110.430 0.0 1 1673 178 178 LEU H H 9.370 0.009 1 1674 178 178 LEU HA H 5.226 0.002 1 1675 178 178 LEU HB2 H 2.310 0.007 2 1676 178 178 LEU HB3 H 1.517 0.005 2 1677 178 178 LEU HG H 1.334 0.006 1 1678 178 178 LEU HD1 H 0.525 0.005 2 1679 178 178 LEU HD2 H 0.671 0.007 2 1680 178 178 LEU C C 173.835 . 1 1681 178 178 LEU CA C 53.629 0.01 1 1682 178 178 LEU CB C 45.966 0.013 1 1683 178 178 LEU CG C 27.491 0.035 1 1684 178 178 LEU CD1 C 26.312 0.047 2 1685 178 178 LEU CD2 C 24.189 0.032 2 1686 178 178 LEU N N 125.893 0.004 1 1687 179 179 MET H H 9.795 0.008 1 1688 179 179 MET HA H 5.302 0.004 1 1689 179 179 MET HB2 H 2.199 0.002 2 1690 179 179 MET HB3 H 1.841 0.009 2 1691 179 179 MET HG2 H 2.019 0.005 2 1692 179 179 MET HG3 H 2.192 0.004 2 1693 179 179 MET HE H 1.935 0.002 1 1694 179 179 MET C C 175.640 . 1 1695 179 179 MET CA C 54.025 0.081 1 1696 179 179 MET CB C 37.724 0.038 1 1697 179 179 MET CG C 31.216 0.006 1 1698 179 179 MET CE C 17.305 0.012 1 1699 179 179 MET N N 128.662 0.022 1 1700 180 180 LEU H H 9.019 0.011 1 1701 180 180 LEU HA H 4.597 0.004 1 1702 180 180 LEU HB2 H 2.223 0.002 2 1703 180 180 LEU HB3 H 1.513 0.003 2 1704 180 180 LEU HG H 1.524 0.002 1 1705 180 180 LEU HD1 H 0.905 0.004 2 1706 180 180 LEU HD2 H 1.084 0.008 2 1707 180 180 LEU C C 176.629 . 1 1708 180 180 LEU CA C 54.600 . 1 1709 180 180 LEU CB C 43.561 0.021 1 1710 180 180 LEU CG C 28.086 0.04 1 1711 180 180 LEU CD1 C 24.495 0.031 2 1712 180 180 LEU CD2 C 26.054 0.043 2 1713 180 180 LEU N N 129.401 0.007 1 1714 181 181 VAL H H 7.959 0.001 1 1715 181 181 VAL HA H 3.304 0.0 1 1716 181 181 VAL HB H 1.755 0.003 1 1717 181 181 VAL HG1 H 0.828 0.003 2 1718 181 181 VAL HG2 H 0.634 0.005 2 1719 181 181 VAL C C 176.273 . 1 1720 181 181 VAL CA C 66.944 0.002 1 1721 181 181 VAL CB C 31.684 0.013 1 1722 181 181 VAL CG1 C 24.998 0.001 2 1723 181 181 VAL CG2 C 21.543 0.002 2 1724 181 181 VAL N N 130.670 0.008 1 1725 182 182 GLN H H 8.373 0.011 1 1726 182 182 GLN HA H 3.982 0.007 1 1727 182 182 GLN HB2 H 2.124 0.004 2 1728 182 182 GLN HB3 H 1.794 0.006 2 1729 182 182 GLN HG2 H 2.387 0.005 2 1730 182 182 GLN HG3 H 2.323 0.0 2 1731 182 182 GLN HE21 H 6.825 0.002 1 1732 182 182 GLN HE22 H 7.460 0.009 1 1733 182 182 GLN C C 176.209 . 1 1734 182 182 GLN CA C 58.952 0.052 1 1735 182 182 GLN CB C 29.156 0.019 1 1736 182 182 GLN CG C 33.381 0.055 1 1737 182 182 GLN CD C 179.585 0.001 1 1738 182 182 GLN N N 115.912 0.007 1 1739 182 182 GLN NE2 N 111.859 0.022 1 1740 183 183 THR H H 6.533 0.005 1 1741 183 183 THR HA H 4.585 0.001 1 1742 183 183 THR HB H 4.371 0.004 1 1743 183 183 THR HG2 H 1.130 0.001 1 1744 183 183 THR C C 176.095 . 1 1745 183 183 THR CA C 60.321 . 1 1746 183 183 THR CB C 71.074 0.021 1 1747 183 183 THR CG2 C 21.960 0.014 1 1748 183 183 THR N N 100.063 0.005 1 1749 184 184 GLY H H 8.490 0.0 1 1750 184 184 GLY HA2 H 3.723 0.0 2 1751 184 184 GLY HA3 H 4.123 0.001 2 1752 184 184 GLY C C 173.110 . 1 1753 184 184 GLY CA C 45.914 0.051 1 1754 184 184 GLY N N 111.971 0.007 1 1755 185 185 GLU H H 7.600 0.0 1 1756 185 185 GLU HA H 4.320 0.002 1 1757 185 185 GLU HB2 H 1.903 0.012 1 1758 185 185 GLU HB3 H 1.903 0.012 1 1759 185 185 GLU HG2 H 2.229 0.004 2 1760 185 185 GLU HG3 H 2.174 0.003 2 1761 185 185 GLU C C 175.662 . 1 1762 185 185 GLU CA C 55.482 . 1 1763 185 185 GLU CB C 31.430 0.031 1 1764 185 185 GLU CG C 35.701 0.02 1 1765 185 185 GLU N N 118.233 0.001 1 1766 186 186 ILE H H 8.821 0.0 1 1767 186 186 ILE HA H 4.561 0.005 1 1768 186 186 ILE HB H 2.039 0.01 1 1769 186 186 ILE HG12 H 1.469 0.003 2 1770 186 186 ILE HG13 H 1.469 0.003 2 1771 186 186 ILE HG2 H 0.853 0.001 1 1772 186 186 ILE HD1 H 0.695 0.001 1 1773 186 186 ILE C C 177.050 . 1 1774 186 186 ILE CA C 59.694 0.026 1 1775 186 186 ILE CB C 35.584 0.0 1 1776 186 186 ILE CG1 C 26.967 0.072 1 1777 186 186 ILE CG2 C 18.324 0.019 1 1778 186 186 ILE CD1 C 10.397 0.009 1 1779 186 186 ILE N N 123.086 0.018 1 1780 187 187 ILE H H 8.785 0.004 1 1781 187 187 ILE HA H 4.559 0.001 1 1782 187 187 ILE HB H 2.222 0.002 1 1783 187 187 ILE HG12 H 1.482 0.005 2 1784 187 187 ILE HG13 H 1.336 0.006 2 1785 187 187 ILE HG2 H 1.062 0.003 1 1786 187 187 ILE HD1 H 1.044 0.005 1 1787 187 187 ILE C C 175.495 . 1 1788 187 187 ILE CA C 60.955 . 1 1789 187 187 ILE CB C 39.334 . 1 1790 187 187 ILE CG1 C 26.905 0.046 1 1791 187 187 ILE CG2 C 19.023 0.033 1 1792 187 187 ILE CD1 C 14.440 0.02 1 1793 187 187 ILE N N 123.581 0.003 1 1794 188 188 TRP H H 7.691 0.008 1 1795 188 188 TRP HA H 4.532 0.006 1 1796 188 188 TRP HB2 H 2.843 0.015 2 1797 188 188 TRP HB3 H 3.377 0.006 2 1798 188 188 TRP HD1 H 7.404 0.003 1 1799 188 188 TRP HE1 H 9.669 0.005 1 1800 188 188 TRP HE3 H 7.051 0.004 1 1801 188 188 TRP HZ2 H 7.279 0.002 1 1802 188 188 TRP HZ3 H 6.648 0.004 1 1803 188 188 TRP HH2 H 6.871 0.005 1 1804 188 188 TRP C C 173.125 . 1 1805 188 188 TRP CA C 59.075 0.0 1 1806 188 188 TRP CB C 31.348 0.012 1 1807 188 188 TRP CD1 C 127.742 0.037 1 1808 188 188 TRP CE3 C 119.168 0.071 1 1809 188 188 TRP CZ2 C 114.488 0.013 1 1810 188 188 TRP CZ3 C 121.959 0.027 1 1811 188 188 TRP CH2 C 123.508 0.059 1 1812 188 188 TRP N N 121.352 0.005 1 1813 188 188 TRP NE1 N 128.975 0.014 1 1814 189 189 SER H H 6.981 0.001 1 1815 189 189 SER HA H 4.536 0.006 1 1816 189 189 SER HB2 H 3.543 0.01 2 1817 189 189 SER HB3 H 3.558 0.008 2 1818 189 189 SER C C 171.152 . 1 1819 189 189 SER CA C 56.768 . 1 1820 189 189 SER CB C 65.792 0.026 1 1821 189 189 SER N N 121.263 0.013 1 1822 190 190 GLY H H 7.815 0.007 1 1823 190 190 GLY HA2 H 4.081 0.003 2 1824 190 190 GLY HA3 H 3.343 0.001 2 1825 190 190 GLY C C 171.156 . 1 1826 190 190 GLY CA C 45.040 0.019 1 1827 190 190 GLY N N 107.507 0.008 1 1828 191 191 LYS H H 8.293 0.0 1 1829 191 191 LYS HA H 5.649 0.004 1 1830 191 191 LYS HB2 H 1.669 0.002 2 1831 191 191 LYS HB3 H 1.598 0.001 2 1832 191 191 LYS HG2 H 1.262 0.001 1 1833 191 191 LYS HG3 H 1.262 0.001 1 1834 191 191 LYS HD2 H 1.527 0.001 2 1835 191 191 LYS HD3 H 1.527 0.001 2 1836 191 191 LYS HE2 H 2.842 0.002 2 1837 191 191 LYS HE3 H 2.841 0.003 2 1838 191 191 LYS C C 175.758 . 1 1839 191 191 LYS CA C 54.875 0.003 1 1840 191 191 LYS CB C 36.761 0.011 1 1841 191 191 LYS CG C 24.506 0.008 1 1842 191 191 LYS CD C 29.673 0.014 1 1843 191 191 LYS CE C 42.059 0.008 1 1844 191 191 LYS N N 119.422 0.004 1 1845 192 192 GLY H H 8.914 0.009 1 1846 192 192 GLY HA2 H 4.047 0.0 2 1847 192 192 GLY HA3 H 4.410 0.002 2 1848 192 192 GLY C C 171.192 . 1 1849 192 192 GLY CA C 45.379 0.011 1 1850 192 192 GLY N N 110.603 0.0 1 1851 193 193 ALA H H 8.360 0.0 1 1852 193 193 ALA HA H 4.685 0.005 1 1853 193 193 ALA HB H 1.340 0.001 1 1854 193 193 ALA C C 176.861 . 1 1855 193 193 ALA CA C 52.205 . 1 1856 193 193 ALA CB C 20.243 0.004 1 1857 193 193 ALA N N 125.444 0.011 1 1858 194 194 VAL H H 8.279 0.01 1 1859 194 194 VAL HA H 4.220 0.0 1 1860 194 194 VAL HB H 1.583 0.011 1 1861 194 194 VAL HG1 H 0.046 0.005 2 1862 194 194 VAL HG2 H 0.720 0.005 2 1863 194 194 VAL C C 175.385 . 1 1864 194 194 VAL CA C 61.252 0.074 1 1865 194 194 VAL CB C 32.846 . 1 1866 194 194 VAL CG1 C 22.071 0.021 2 1867 194 194 VAL CG2 C 21.012 0.023 2 1868 194 194 VAL N N 122.659 0.006 1 1869 195 195 SER H H 9.140 0.001 1 1870 195 195 SER HA H 4.769 . 1 1871 195 195 SER HB2 H 3.892 0.002 2 1872 195 195 SER HB3 H 3.830 0.001 2 1873 195 195 SER C C 174.298 . 1 1874 195 195 SER CA C 57.364 0.0 1 1875 195 195 SER CB C 64.988 0.005 1 1876 195 195 SER N N 122.496 0.016 1 1877 196 196 GLN H H 8.700 0.0 1 1878 196 196 GLN HA H 4.530 0.005 1 1879 196 196 GLN HB2 H 2.008 0.002 2 1880 196 196 GLN HB3 H 1.833 0.004 2 1881 196 196 GLN HG2 H 2.191 0.002 2 1882 196 196 GLN HG3 H 1.840 0.005 2 1883 196 196 GLN HE21 H 7.556 0.002 1 1884 196 196 GLN HE22 H 6.822 0.007 1 1885 196 196 GLN C C 175.370 . 1 1886 196 196 GLN CA C 56.084 0.031 1 1887 196 196 GLN CB C 30.901 0.059 1 1888 196 196 GLN CG C 35.085 0.022 1 1889 196 196 GLN CD C 179.736 0.002 1 1890 196 196 GLN N N 122.315 0.015 1 1891 196 196 GLN NE2 N 111.599 0.018 1 1892 197 197 GLN H H 8.108 0.009 1 1893 197 197 GLN HA H 4.151 0.002 1 1894 197 197 GLN HB2 H 1.706 0.001 2 1895 197 197 GLN HB3 H 1.922 0.003 2 1896 197 197 GLN HG2 H 2.106 0.007 1 1897 197 197 GLN HG3 H 2.106 0.007 1 1898 197 197 GLN HE21 H 7.329 0.007 1 1899 197 197 GLN HE22 H 6.725 0.007 1 1900 197 197 GLN C C 179.969 . 1 1901 197 197 GLN CA C 57.262 0.005 1 1902 197 197 GLN CB C 31.199 0.013 1 1903 197 197 GLN CG C 34.268 0.031 1 1904 197 197 GLN CD C 180.237 0.005 1 1905 197 197 GLN N N 126.637 0.004 1 1906 197 197 GLN NE2 N 111.037 0.001 1 stop_ save_