data_18853 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Backbone and side-chain 1H, 13C, 15N NMR assignment of the N-terminal domain of Escherichia coli LpoA ; _BMRB_accession_number 18853 _BMRB_flat_file_name bmr18853.str _Entry_type original _Submission_date 2012-11-23 _Accession_date 2012-11-23 _Entry_origination author _NMR_STAR_version 2.1.1 _Experimental_method NMR _Details . loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Jean Nicolas L.P. . 2 Bougault Catherine . . 3 Derouaux Adeline . . 4 Callens Gilles . . 5 Vollmer Waldemar . . 6 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" 1348 "13C chemical shifts" 1036 "15N chemical shifts" 265 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2014-02-14 original author . stop_ _Original_release_date 2014-02-14 save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title 'Backbone and side-chain (1)H, (13)C, and (15)N NMR assignments of the N-terminal domain of Escherichia coli LpoA.' _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 24493340 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Jean Nicolas L. . 2 Bougault Catherine . . 3 Derouaux Adeline . . 4 Callens Gilles . . 5 Vollmer Waldemar . . 6 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 . loop_ _Keyword 'bacterial cell wall' LpoA NMR 'peptidoglycan synthesis' stop_ save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name LpoA_n-ter _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label LpoA_n-ter $LpoA_n-ter stop_ _System_molecular_weight 28020.5087 _System_physical_state native _System_oligomer_state ? _System_paramagnetic no _System_thiol_state 'not present' _Database_query_date . _Details . save_ ######################## # Monomeric polymers # ######################## save_LpoA_n-ter _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common LpoA_n-ter _Molecular_mass 28020.5087 _Mol_thiol_state 'not present' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 250 _Mol_residue_sequence ; MGSSHHHHHHSSGLVPRGSH MGTHTPDQSTAYMQGTAQAD SAFYLQQMQQSSDDTRINWQ LLAIRALVKEGKTGQAVELF NQLPQELNDAQRREKTLLAV EIKLAQKDFAGAQNLLAKIT PADLEQNQQARYWQAKIDAS QGRPSIDLLRALIAQEPLLG AKEKQQNIDATWQALSSMTQ EQANTLVINADENILQGWLD LQRVWFDNRNDPDMMKAGIA DWQKRYPNNPGAKMLPTQLV NVKAFKPAST ; loop_ _Residue_seq_code _Residue_author_seq_code _Residue_label 1 7 MET 2 8 GLY 3 9 SER 4 10 SER 5 11 HIS 6 12 HIS 7 13 HIS 8 14 HIS 9 15 HIS 10 16 HIS 11 17 SER 12 18 SER 13 19 GLY 14 20 LEU 15 21 VAL 16 22 PRO 17 23 ARG 18 24 GLY 19 25 SER 20 26 HIS 21 27 MET 22 28 GLY 23 29 THR 24 30 HIS 25 31 THR 26 32 PRO 27 33 ASP 28 34 GLN 29 35 SER 30 36 THR 31 37 ALA 32 38 TYR 33 39 MET 34 40 GLN 35 41 GLY 36 42 THR 37 43 ALA 38 44 GLN 39 45 ALA 40 46 ASP 41 47 SER 42 48 ALA 43 49 PHE 44 50 TYR 45 51 LEU 46 52 GLN 47 53 GLN 48 54 MET 49 55 GLN 50 56 GLN 51 57 SER 52 58 SER 53 59 ASP 54 60 ASP 55 61 THR 56 62 ARG 57 63 ILE 58 64 ASN 59 65 TRP 60 66 GLN 61 67 LEU 62 68 LEU 63 69 ALA 64 70 ILE 65 71 ARG 66 72 ALA 67 73 LEU 68 74 VAL 69 75 LYS 70 76 GLU 71 77 GLY 72 78 LYS 73 79 THR 74 80 GLY 75 81 GLN 76 82 ALA 77 83 VAL 78 84 GLU 79 85 LEU 80 86 PHE 81 87 ASN 82 88 GLN 83 89 LEU 84 90 PRO 85 91 GLN 86 92 GLU 87 93 LEU 88 94 ASN 89 95 ASP 90 96 ALA 91 97 GLN 92 98 ARG 93 99 ARG 94 100 GLU 95 101 LYS 96 102 THR 97 103 LEU 98 104 LEU 99 105 ALA 100 106 VAL 101 107 GLU 102 108 ILE 103 109 LYS 104 110 LEU 105 111 ALA 106 112 GLN 107 113 LYS 108 114 ASP 109 115 PHE 110 116 ALA 111 117 GLY 112 118 ALA 113 119 GLN 114 120 ASN 115 121 LEU 116 122 LEU 117 123 ALA 118 124 LYS 119 125 ILE 120 126 THR 121 127 PRO 122 128 ALA 123 129 ASP 124 130 LEU 125 131 GLU 126 132 GLN 127 133 ASN 128 134 GLN 129 135 GLN 130 136 ALA 131 137 ARG 132 138 TYR 133 139 TRP 134 140 GLN 135 141 ALA 136 142 LYS 137 143 ILE 138 144 ASP 139 145 ALA 140 146 SER 141 147 GLN 142 148 GLY 143 149 ARG 144 150 PRO 145 151 SER 146 152 ILE 147 153 ASP 148 154 LEU 149 155 LEU 150 156 ARG 151 157 ALA 152 158 LEU 153 159 ILE 154 160 ALA 155 161 GLN 156 162 GLU 157 163 PRO 158 164 LEU 159 165 LEU 160 166 GLY 161 167 ALA 162 168 LYS 163 169 GLU 164 170 LYS 165 171 GLN 166 172 GLN 167 173 ASN 168 174 ILE 169 175 ASP 170 176 ALA 171 177 THR 172 178 TRP 173 179 GLN 174 180 ALA 175 181 LEU 176 182 SER 177 183 SER 178 184 MET 179 185 THR 180 186 GLN 181 187 GLU 182 188 GLN 183 189 ALA 184 190 ASN 185 191 THR 186 192 LEU 187 193 VAL 188 194 ILE 189 195 ASN 190 196 ALA 191 197 ASP 192 198 GLU 193 199 ASN 194 200 ILE 195 201 LEU 196 202 GLN 197 203 GLY 198 204 TRP 199 205 LEU 200 206 ASP 201 207 LEU 202 208 GLN 203 209 ARG 204 210 VAL 205 211 TRP 206 212 PHE 207 213 ASP 208 214 ASN 209 215 ARG 210 216 ASN 211 217 ASP 212 218 PRO 213 219 ASP 214 220 MET 215 221 MET 216 222 LYS 217 223 ALA 218 224 GLY 219 225 ILE 220 226 ALA 221 227 ASP 222 228 TRP 223 229 GLN 224 230 LYS 225 231 ARG 226 232 TYR 227 233 PRO 228 234 ASN 229 235 ASN 230 236 PRO 231 237 GLY 232 238 ALA 233 239 LYS 234 240 MET 235 241 LEU 236 242 PRO 237 243 THR 238 244 GLN 239 245 LEU 240 246 VAL 241 247 ASN 242 248 VAL 243 249 LYS 244 250 ALA 245 251 PHE 246 252 LYS 247 253 PRO 248 254 ALA 249 255 SER 250 256 THR stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2015-10-14 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 2MHK "E. Coli Lpoa N-terminal Domain" 100.00 250 100.00 100.00 0.00e+00 DBJ BAB37451 "putative glycosylase [Escherichia coli O157:H7 str. Sakai]" 92.00 678 99.13 99.57 9.97e-159 DBJ BAE77193 "conserved hypothetical protein [Escherichia coli str. K12 substr. W3110]" 92.80 678 98.71 99.14 2.81e-159 DBJ BAG78957 "putative glycosylase [Escherichia coli SE11]" 92.80 678 98.28 99.14 9.04e-159 DBJ BAI27426 "conserved predicted protein [Escherichia coli O26:H11 str. 11368]" 92.80 678 98.28 99.14 9.86e-159 DBJ BAI32606 "conserved predicted protein [Escherichia coli O103:H2 str. 12009]" 92.80 662 97.84 98.71 2.44e-158 EMBL CAP77610 "Uncharacterized protein yraM [Escherichia coli LF82]" 92.80 678 97.84 98.28 8.90e-158 EMBL CAQ33482 "putative glycosylase [Escherichia coli BL21(DE3)]" 92.80 678 98.71 99.14 3.56e-159 EMBL CAR00111 "conserved hypothetical protein [Escherichia coli IAI1]" 92.80 678 98.28 99.14 9.86e-159 EMBL CAR04759 "conserved hypothetical protein [Escherichia coli S88]" 92.80 678 97.84 98.28 6.93e-158 EMBL CAR09810 "conserved hypothetical protein [Escherichia coli ED1a]" 92.80 678 97.84 98.28 7.64e-158 GB AAA57950 "ORF_o678 [Escherichia coli str. K-12 substr. MG1655]" 92.80 678 98.71 99.14 2.81e-159 GB AAC76181 "OM lipoprotein stimulator of MrcA transpeptidase [Escherichia coli str. K-12 substr. MG1655]" 92.80 678 98.71 99.14 2.81e-159 GB AAG58283 "putative glycosylase [Escherichia coli O157:H7 str. EDL933]" 92.00 678 99.13 99.57 9.97e-159 GB AAN44655 "putative glycosylase [Shigella flexneri 2a str. 301]" 92.80 678 97.84 98.71 5.12e-158 GB AAN82341 "Hypothetical protein yraM [Escherichia coli CFT073]" 92.00 720 98.70 98.70 1.73e-157 REF NP_312055 "glycosylase [Escherichia coli O157:H7 str. Sakai]" 92.00 678 99.13 99.57 9.97e-159 REF NP_417616 "OM lipoprotein stimulator of MrcA transpeptidase [Escherichia coli str. K-12 substr. MG1655]" 92.80 678 98.71 99.14 2.81e-159 REF NP_708948 "glycosylase [Shigella flexneri 2a str. 301]" 92.80 678 97.84 98.71 5.12e-158 REF WP_000112978 "Penicillin-binding protein activator LpoA, partial [Escherichia coli]" 84.40 617 99.53 100.00 1.47e-144 REF WP_000249084 "penicillin-binding protein activator LpoA [Shigella dysenteriae]" 92.80 678 96.98 97.84 6.63e-156 SP D2A869 "RecName: Full=Penicillin-binding protein activator LpoA; Short=PBP activator LpoA; Flags: Precursor" 92.80 678 97.84 98.71 5.12e-158 SP P45464 "RecName: Full=Penicillin-binding protein activator LpoA; Short=PBP activator LpoA; AltName: Full=Lipoprotein activator of PBP f" 92.80 678 98.71 99.14 2.81e-159 SP Q0T0D4 "RecName: Full=Penicillin-binding protein activator LpoA; Short=PBP activator LpoA; Flags: Precursor" 92.80 678 97.84 98.71 6.09e-158 SP Q3YX94 "RecName: Full=Penicillin-binding protein activator LpoA; Short=PBP activator LpoA; Flags: Precursor" 92.80 678 97.84 99.14 2.88e-158 SP Q8FDA1 "RecName: Full=Penicillin-binding protein activator LpoA; Short=PBP activator LpoA; Flags: Precursor" 92.80 678 97.84 98.28 6.93e-158 stop_ save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _Organism_acronym _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species _Strain _Cell_line _ATCC_number _Gene_mnemonic $LpoA_n-ter 'Escherichia coli' 'E. coli' 562 Bacteria . Escherichia coli K-12 MG1655 47076 lpoA stop_ save_ ######################### # Experimental source # ######################### save_experimental_source _Saveframe_category experimental_source loop_ _Mol_label _Production_method _Host_organism_name_common _Genus _Species _Strain _Cell_line _Vector_name $LpoA_n-ter 'recombinant technology' 'Escherichia coli' Escherichia coli BL21-DE3 BL21-DE3 pET28 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 $LpoA_n-ter 2.0 mM '[U-100% 13C; U-100% 15N]' 'CH3COOH/CH3COONa buffer' 100.0 mM 'natural abundance' H2O 90 % 'natural abundance' D2O 10 % 'natural abundance' stop_ save_ ############################ # Computer software used # ############################ save_CcpNmr_Analysis _Saveframe_category software _Name 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 'Spectrum analysis and assignment' stop_ _Details . save_ save_nmrDraw _Saveframe_category software _Name NMRDraw _Version any loop_ _Vendor _Address _Electronic_address 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' ; National Institutes of Health, Laboratory of Chemical Physics, National Institute of Diabetes and Digestive & Kidney Diseases, 9000 Rockville Pike, Bethesda, MD 20892-0520, USA ; http://spin.niddk.nih.gov/NMRPipe/ stop_ loop_ _Task 'Spectrum display' stop_ _Details . save_ save_nmrPipe _Saveframe_category software _Name NMRPipe _Version any loop_ _Vendor _Address _Electronic_address 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' ; National Institutes of Health, Laboratory of Chemical Physics, National Institute of Diabetes and Digestive & Kidney Diseases, 9000 Rockville Pike, Bethesda, MD 20892-0520, USA ; http://spin.niddk.nih.gov/NMRPipe/ stop_ loop_ _Task 'Spectrum processing' stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Varian _Model vnmrs _Field_strength 600 _Details . save_ save_spectrometer_2 _Saveframe_category NMR_spectrometer _Manufacturer Varian _Model vnmrs _Field_strength 800 _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/HMQC_1 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N HSQC/HMQC' _Sample_label $sample_1 save_ save_3D_HNCO_2 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCO' _Sample_label $sample_1 save_ save_3D_HNCACB_3 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCACB' _Sample_label $sample_1 save_ save_H[N[co[{CA|ca[C]}]]]_4 _Saveframe_category NMR_applied_experiment _Experiment_name H[N[co[{CA|ca[C]}]]] _Sample_label $sample_1 save_ save_3D_HNCA_5 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCA' _Sample_label $sample_1 save_ save_H[N[ca[CO]]]_6 _Saveframe_category NMR_applied_experiment _Experiment_name H[N[ca[CO]]] _Sample_label $sample_1 save_ save_3D_C(CO)NH_7 _Saveframe_category NMR_applied_experiment _Experiment_name '3D C(CO)NH' _Sample_label $sample_1 save_ save_HccoNH_8 _Saveframe_category NMR_applied_experiment _Experiment_name HccoNH _Sample_label $sample_1 save_ save_2D_1H-13C_HSQC/HMQC_aliphatic_9 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-13C HSQC/HMQC aliphatic' _Sample_label $sample_1 save_ save_3D_HCCH-TOCSY_10 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HCCH-TOCSY' _Sample_label $sample_1 save_ save_2D_1H-13C_HSQC/HMQC_aromatic_11 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-13C HSQC/HMQC aromatic' _Sample_label $sample_1 save_ save_3D_1H-13C_NOESY_aliphatic_12 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-13C NOESY aliphatic' _Sample_label $sample_1 save_ save_3D_1H-13C_NOESY_aromatic_13 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-13C NOESY aromatic' _Sample_label $sample_1 save_ save_3D_1H-15N_NOESY_14 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-15N NOESY' _Sample_label $sample_1 save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units 'ionic strength' 0.100 . M pH 4.500 . pH pressure 1.000 . atm temperature 323.000 . 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 internal 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/HMQC' '3D HNCO' '3D HNCACB' H[N[co[{CA|ca[C]}]]] '3D HNCA' H[N[ca[CO]]] '3D C(CO)NH' HccoNH '2D 1H-13C HSQC/HMQC aliphatic' '3D HCCH-TOCSY' '2D 1H-13C HSQC/HMQC aromatic' '3D 1H-13C NOESY aliphatic' '3D 1H-13C NOESY aromatic' '3D 1H-15N NOESY' 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 LpoA_n-ter _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 MET C C 178.198 0.1 1 2 2 2 GLY H H 8.473 0.003 1 3 2 2 GLY CA C 46.380 0.041 1 4 2 2 GLY N N 110.299 0.046 1 5 12 12 SER HA H 4.457 0.008 1 6 12 12 SER HB2 H 3.852 0.016 2 7 12 12 SER HB3 H 3.875 0.001 2 8 12 12 SER C C 174.741 0.008 1 9 12 12 SER CA C 59.630 0.045 1 10 12 12 SER CB C 65.124 0.054 1 11 13 13 GLY H H 8.277 0.005 1 12 13 13 GLY HA2 H 3.907 0.004 2 13 13 13 GLY HA3 H 3.946 0.009 2 14 13 13 GLY C C 173.706 0.058 1 15 13 13 GLY CA C 46.350 0.063 1 16 13 13 GLY N N 110.283 0.034 1 17 14 14 LEU H H 7.954 0.011 1 18 14 14 LEU HA H 4.337 0.005 1 19 14 14 LEU HB2 H 1.521 0.01 2 20 14 14 LEU HB3 H 1.550 0.011 2 21 14 14 LEU HG H 1.530 0.005 1 22 14 14 LEU HD1 H 0.811 0.006 2 23 14 14 LEU HD2 H 0.863 0.001 2 24 14 14 LEU C C 176.919 0.022 1 25 14 14 LEU CA C 56.191 0.057 1 26 14 14 LEU CB C 43.518 0.034 1 27 14 14 LEU CG C 27.973 0.087 1 28 14 14 LEU CD1 C 24.664 0.022 2 29 14 14 LEU CD2 C 25.840 0.1 2 30 14 14 LEU N N 121.729 0.041 1 31 15 15 VAL H H 7.969 0.01 1 32 15 15 VAL HA H 4.382 0.005 1 33 15 15 VAL HB H 2.025 0.003 1 34 15 15 VAL HG1 H 0.902 0.01 2 35 15 15 VAL HG2 H 0.910 0.008 2 36 15 15 VAL C C 172.714 0.1 1 37 15 15 VAL CA C 60.714 0.087 1 38 15 15 VAL CB C 33.717 0.038 1 39 15 15 VAL CG1 C 21.356 0.1 1 40 15 15 VAL N N 122.570 0.042 1 41 16 16 PRO HA H 4.378 0.004 1 42 16 16 PRO HB2 H 2.244 0.004 2 43 16 16 PRO HB3 H 2.226 0.012 2 44 16 16 PRO HG2 H 1.999 0.012 2 45 16 16 PRO HG3 H 1.886 0.016 2 46 16 16 PRO HD2 H 3.818 0.003 2 47 16 16 PRO HD3 H 3.632 0.003 2 48 16 16 PRO C C 176.810 0.009 1 49 16 16 PRO CA C 64.158 0.031 1 50 16 16 PRO CB C 33.036 0.029 1 51 16 16 PRO CG C 28.393 0.058 1 52 16 16 PRO CD C 52.007 0.075 1 53 17 17 ARG H H 8.281 0.008 1 54 17 17 ARG HA H 4.297 0.004 1 55 17 17 ARG HB2 H 1.837 0.007 2 56 17 17 ARG HB3 H 1.762 0.007 2 57 17 17 ARG HG2 H 1.671 0.012 2 58 17 17 ARG HG3 H 1.637 0.013 2 59 17 17 ARG HD2 H 3.181 0.006 2 60 17 17 ARG HD3 H 3.193 0.005 2 61 17 17 ARG HE H 7.078 0.003 1 62 17 17 ARG C C 176.860 0.032 1 63 17 17 ARG CA C 57.374 0.073 1 64 17 17 ARG CB C 31.933 0.052 1 65 17 17 ARG CG C 28.080 0.071 1 66 17 17 ARG CD C 44.430 0.055 1 67 17 17 ARG CZ C 159.624 0.1 1 68 17 17 ARG N N 121.533 0.063 1 69 17 17 ARG NE N 84.922 0.003 1 70 18 18 GLY H H 8.305 0.005 1 71 18 18 GLY HA2 H 3.940 0.006 2 72 18 18 GLY HA3 H 3.968 0.005 2 73 18 18 GLY C C 174.021 0.1 1 74 18 18 GLY CA C 46.345 0.058 1 75 18 18 GLY N N 109.874 0.029 1 76 20 20 HIS HA H 4.697 0.002 1 77 20 20 HIS HB2 H 3.266 0.004 2 78 20 20 HIS HB3 H 3.147 0.004 2 79 20 20 HIS C C 174.372 0.019 1 80 20 20 HIS CA C 56.514 0.057 1 81 20 20 HIS CB C 29.980 0.043 1 82 21 21 MET H H 8.269 0.003 1 83 21 21 MET HA H 4.468 0.003 1 84 21 21 MET HB2 H 1.965 0.007 2 85 21 21 MET HB3 H 2.078 0.008 2 86 21 21 MET HG2 H 2.554 0.004 2 87 21 21 MET HG3 H 2.482 0.004 2 88 21 21 MET C C 176.443 0.005 1 89 21 21 MET CA C 56.700 0.087 1 90 21 21 MET CB C 34.104 0.068 1 91 21 21 MET CG C 33.016 0.094 1 92 21 21 MET N N 121.253 0.061 1 93 22 22 GLY H H 8.336 0.005 1 94 22 22 GLY HA2 H 3.997 0.007 2 95 22 22 GLY HA3 H 3.972 0.007 2 96 22 22 GLY C C 174.082 0.016 1 97 22 22 GLY CA C 46.367 0.06 1 98 22 22 GLY N N 109.899 0.046 1 99 23 23 THR H H 7.930 0.006 1 100 23 23 THR HA H 4.312 0.004 1 101 23 23 THR HB H 4.157 0.004 1 102 23 23 THR HG2 H 1.141 0.003 1 103 23 23 THR C C 174.360 0.021 1 104 23 23 THR CA C 62.721 0.081 1 105 23 23 THR CB C 70.880 0.071 1 106 23 23 THR CG2 C 22.538 0.063 1 107 23 23 THR N N 113.283 0.028 1 108 24 24 HIS H H 8.465 0.007 1 109 24 24 HIS HA H 4.779 0.01 1 110 24 24 HIS HB2 H 3.261 0.005 2 111 24 24 HIS HB3 H 3.153 0.004 2 112 24 24 HIS C C 174.193 0.013 1 113 24 24 HIS CA C 56.250 0.064 1 114 24 24 HIS CB C 30.241 0.1 1 115 24 24 HIS N N 120.843 0.056 1 116 25 25 THR H H 8.145 0.006 1 117 25 25 THR HA H 4.563 0.013 1 118 25 25 THR HB H 4.159 0.004 1 119 25 25 THR HG2 H 1.233 0.004 1 120 25 25 THR CA C 60.962 0.065 1 121 25 25 THR CB C 70.521 0.077 1 122 25 25 THR CG2 C 22.695 0.029 1 123 25 25 THR N N 118.218 0.044 1 124 26 26 PRO HA H 4.409 0.004 1 125 26 26 PRO HB2 H 1.922 0.003 2 126 26 26 PRO HB3 H 2.279 0.004 2 127 26 26 PRO HG2 H 2.028 0.008 2 128 26 26 PRO HG3 H 1.967 0.004 2 129 26 26 PRO HD2 H 3.697 0.004 2 130 26 26 PRO HD3 H 3.802 0.005 2 131 26 26 PRO C C 176.358 0.1 1 132 26 26 PRO CA C 64.465 0.033 1 133 26 26 PRO CB C 33.098 0.074 1 134 26 26 PRO CG C 28.356 0.059 1 135 26 26 PRO CD C 52.018 0.063 1 136 27 27 ASP H H 8.303 0.008 1 137 27 27 ASP HA H 4.685 0.006 1 138 27 27 ASP HB2 H 2.745 0.007 2 139 27 27 ASP HB3 H 2.761 0.007 2 140 27 27 ASP C C 177.100 0.012 1 141 27 27 ASP CA C 54.980 0.046 1 142 27 27 ASP CB C 42.781 0.069 1 143 27 27 ASP N N 120.592 0.05 1 144 28 28 GLN H H 8.708 0.011 1 145 28 28 GLN HA H 4.403 0.009 1 146 28 28 GLN HB2 H 2.269 0.009 2 147 28 28 GLN HB3 H 2.506 0.013 2 148 28 28 GLN HG2 H 2.621 0.007 2 149 28 28 GLN HG3 H 2.590 0.016 2 150 28 28 GLN HE21 H 6.862 0.007 1 151 28 28 GLN HE22 H 7.500 0.012 1 152 28 28 GLN C C 176.929 0.021 1 153 28 28 GLN CA C 58.172 0.124 1 154 28 28 GLN CB C 30.538 0.065 1 155 28 28 GLN CG C 35.347 0.056 1 156 28 28 GLN CD C 180.427 0.002 1 157 28 28 GLN N N 122.296 0.032 1 158 28 28 GLN NE2 N 111.601 0.0 1 159 29 29 SER H H 8.680 0.011 1 160 29 29 SER HA H 3.691 0.015 1 161 29 29 SER HB2 H 2.569 0.032 2 162 29 29 SER HB3 H 2.967 0.019 2 163 29 29 SER C C 176.454 0.008 1 164 29 29 SER CA C 62.197 0.123 1 165 29 29 SER CB C 63.629 0.101 1 166 29 29 SER N N 115.429 0.026 1 167 30 30 THR H H 7.543 0.008 1 168 30 30 THR HA H 3.813 0.012 1 169 30 30 THR HB H 4.091 0.007 1 170 30 30 THR HG2 H 1.142 0.003 1 171 30 30 THR C C 175.451 0.008 1 172 30 30 THR CA C 66.915 0.137 1 173 30 30 THR CB C 69.741 0.091 1 174 30 30 THR CG2 C 22.744 0.067 1 175 30 30 THR N N 118.141 0.054 1 176 31 31 ALA H H 8.075 0.01 1 177 31 31 ALA HA H 4.039 0.008 1 178 31 31 ALA HB H 1.138 0.01 1 179 31 31 ALA C C 179.232 0.1 1 180 31 31 ALA CA C 55.841 0.077 1 181 31 31 ALA CB C 19.378 0.056 1 182 31 31 ALA N N 123.233 0.048 1 183 32 32 TYR H H 7.160 0.011 1 184 32 32 TYR HA H 4.523 0.014 1 185 32 32 TYR HB2 H 2.963 0.007 2 186 32 32 TYR HB3 H 3.392 0.006 2 187 32 32 TYR HD1 H 7.341 0.007 3 188 32 32 TYR HD2 H 7.341 0.007 3 189 32 32 TYR HE1 H 6.786 0.005 3 190 32 32 TYR HE2 H 6.786 0.005 3 191 32 32 TYR C C 179.065 0.1 1 192 32 32 TYR CA C 60.506 0.073 1 193 32 32 TYR CB C 39.516 0.075 1 194 32 32 TYR CD1 C 135.315 0.042 3 195 32 32 TYR CD2 C 135.315 0.042 3 196 32 32 TYR CE1 C 119.193 0.043 3 197 32 32 TYR CE2 C 119.193 0.043 3 198 32 32 TYR N N 116.050 0.044 1 199 33 33 MET H H 8.259 0.017 1 200 33 33 MET HA H 4.196 0.006 1 201 33 33 MET HB2 H 2.004 0.005 2 202 33 33 MET HB3 H 2.111 0.012 2 203 33 33 MET HG2 H 2.460 0.006 2 204 33 33 MET HG3 H 2.374 0.006 2 205 33 33 MET HE H 1.875 0.005 1 206 33 33 MET C C 178.023 0.1 1 207 33 33 MET CA C 58.760 0.101 1 208 33 33 MET CB C 33.267 0.104 1 209 33 33 MET CG C 33.199 0.036 1 210 33 33 MET CE C 17.705 0.036 1 211 33 33 MET N N 120.936 0.048 1 212 34 34 GLN H H 8.142 0.009 1 213 34 34 GLN HA H 4.254 0.005 1 214 34 34 GLN HB2 H 2.045 0.006 2 215 34 34 GLN HB3 H 2.167 0.006 2 216 34 34 GLN HG2 H 2.460 0.013 2 217 34 34 GLN HG3 H 2.414 0.008 2 218 34 34 GLN HE21 H 7.300 0.005 1 219 34 34 GLN HE22 H 6.664 0.008 1 220 34 34 GLN C C 176.454 0.003 1 221 34 34 GLN CA C 57.424 0.055 1 222 34 34 GLN CB C 30.247 0.092 1 223 34 34 GLN CG C 35.098 0.061 1 224 34 34 GLN CD C 180.125 0.001 1 225 34 34 GLN N N 115.516 0.062 1 226 34 34 GLN NE2 N 110.932 0.002 1 227 35 35 GLY H H 7.674 0.005 1 228 35 35 GLY HA2 H 3.984 0.006 2 229 35 35 GLY HA3 H 4.174 0.01 2 230 35 35 GLY C C 174.474 0.01 1 231 35 35 GLY CA C 46.437 0.078 1 232 35 35 GLY N N 106.215 0.041 1 233 36 36 THR H H 8.024 0.009 1 234 36 36 THR HA H 4.193 0.006 1 235 36 36 THR HB H 4.236 0.005 1 236 36 36 THR HG2 H 1.137 0.004 1 237 36 36 THR C C 173.513 0.015 1 238 36 36 THR CA C 63.745 0.089 1 239 36 36 THR CB C 69.704 0.049 1 240 36 36 THR CG2 C 23.008 0.017 1 241 36 36 THR N N 112.811 0.039 1 242 37 37 ALA H H 7.404 0.011 1 243 37 37 ALA HA H 4.366 0.007 1 244 37 37 ALA HB H 0.666 0.014 1 245 37 37 ALA C C 175.400 0.031 1 246 37 37 ALA CA C 52.014 0.048 1 247 37 37 ALA CB C 21.843 0.069 1 248 37 37 ALA N N 123.781 0.033 1 249 38 38 GLN H H 8.297 0.013 1 250 38 38 GLN HA H 4.685 0.01 1 251 38 38 GLN HB2 H 1.938 0.007 2 252 38 38 GLN HB3 H 2.092 0.004 2 253 38 38 GLN HG2 H 2.280 0.01 2 254 38 38 GLN HG3 H 2.300 0.007 2 255 38 38 GLN HE21 H 7.327 0.009 1 256 38 38 GLN HE22 H 6.669 0.01 1 257 38 38 GLN C C 173.778 0.029 1 258 38 38 GLN CA C 56.521 0.064 1 259 38 38 GLN CB C 32.839 0.086 1 260 38 38 GLN CG C 34.586 0.045 1 261 38 38 GLN CD C 180.556 0.0 1 262 38 38 GLN N N 118.096 0.058 1 263 38 38 GLN NE2 N 111.602 0.073 1 264 39 39 ALA H H 7.945 0.007 1 265 39 39 ALA HA H 4.341 0.01 1 266 39 39 ALA HB H 0.849 0.008 1 267 39 39 ALA C C 174.087 0.04 1 268 39 39 ALA CA C 52.105 0.075 1 269 39 39 ALA CB C 22.572 0.068 1 270 39 39 ALA N N 125.139 0.051 1 271 40 40 ASP H H 7.459 0.005 1 272 40 40 ASP HA H 4.694 0.006 1 273 40 40 ASP HB2 H 2.679 0.009 2 274 40 40 ASP HB3 H 3.065 0.019 2 275 40 40 ASP C C 175.542 0.1 1 276 40 40 ASP CA C 52.973 0.062 1 277 40 40 ASP CB C 42.978 0.044 1 278 40 40 ASP N N 116.865 0.048 1 279 41 41 SER H H 9.748 0.005 1 280 41 41 SER HA H 3.798 0.007 1 281 41 41 SER C C 176.083 0.1 1 282 41 41 SER CA C 63.959 0.069 1 283 41 41 SER CB C 62.672 0.071 1 284 41 41 SER N N 115.039 0.029 1 285 42 42 ALA H H 7.537 0.006 1 286 42 42 ALA HA H 3.994 0.01 1 287 42 42 ALA HB H 1.408 0.008 1 288 42 42 ALA C C 180.228 0.1 1 289 42 42 ALA CA C 56.433 0.065 1 290 42 42 ALA CB C 19.021 0.069 1 291 42 42 ALA N N 123.346 0.029 1 292 43 43 PHE H H 7.547 0.007 1 293 43 43 PHE HA H 4.045 0.008 1 294 43 43 PHE HB2 H 2.654 0.009 2 295 43 43 PHE HB3 H 3.082 0.009 2 296 43 43 PHE HD1 H 6.685 0.004 3 297 43 43 PHE HD2 H 6.685 0.004 3 298 43 43 PHE HE1 H 6.898 0.01 3 299 43 43 PHE HE2 H 6.898 0.01 3 300 43 43 PHE HZ H 7.033 0.004 1 301 43 43 PHE C C 177.487 0.1 1 302 43 43 PHE CA C 62.162 0.092 1 303 43 43 PHE CB C 39.808 0.079 1 304 43 43 PHE CD1 C 132.822 0.051 3 305 43 43 PHE CD2 C 132.822 0.051 3 306 43 43 PHE CE1 C 132.014 0.066 3 307 43 43 PHE CE2 C 132.014 0.066 3 308 43 43 PHE CZ C 130.559 0.046 1 309 43 43 PHE N N 119.279 0.051 1 310 44 44 TYR H H 7.420 0.01 1 311 44 44 TYR HA H 3.942 0.005 1 312 44 44 TYR HB2 H 2.700 0.015 2 313 44 44 TYR HB3 H 3.489 0.006 2 314 44 44 TYR HD1 H 6.935 0.006 3 315 44 44 TYR HD2 H 6.935 0.006 3 316 44 44 TYR HE1 H 6.690 0.006 3 317 44 44 TYR HE2 H 6.690 0.006 3 318 44 44 TYR C C 178.300 0.1 1 319 44 44 TYR CA C 60.570 0.063 1 320 44 44 TYR CB C 38.366 0.05 1 321 44 44 TYR CD1 C 133.007 0.08 3 322 44 44 TYR CD2 C 133.007 0.08 3 323 44 44 TYR CE1 C 119.961 0.095 3 324 44 44 TYR CE2 C 119.961 0.095 3 325 44 44 TYR N N 118.653 0.074 1 326 45 45 LEU H H 8.878 0.011 1 327 45 45 LEU HA H 3.905 0.005 1 328 45 45 LEU HB2 H 1.848 0.011 2 329 45 45 LEU HB3 H 1.336 0.005 2 330 45 45 LEU HG H 1.734 0.004 1 331 45 45 LEU HD1 H 0.833 0.009 2 332 45 45 LEU HD2 H 0.818 0.011 2 333 45 45 LEU C C 179.349 0.1 1 334 45 45 LEU CA C 59.131 0.053 1 335 45 45 LEU CB C 42.707 0.087 1 336 45 45 LEU CG C 28.184 0.086 1 337 45 45 LEU CD1 C 24.626 0.023 2 338 45 45 LEU CD2 C 26.527 0.053 2 339 45 45 LEU N N 118.909 0.019 1 340 46 46 GLN H H 7.527 0.009 1 341 46 46 GLN HA H 3.845 0.005 1 342 46 46 GLN HB2 H 1.976 0.006 2 343 46 46 GLN HB3 H 1.871 0.006 2 344 46 46 GLN HG2 H 2.225 0.006 2 345 46 46 GLN HG3 H 2.033 0.011 2 346 46 46 GLN HE21 H 7.096 0.008 1 347 46 46 GLN HE22 H 6.573 0.007 1 348 46 46 GLN C C 178.681 0.1 1 349 46 46 GLN CA C 59.802 0.08 1 350 46 46 GLN CB C 28.896 0.065 1 351 46 46 GLN CG C 34.704 0.047 1 352 46 46 GLN CD C 180.070 0.1 1 353 46 46 GLN N N 119.847 0.036 1 354 46 46 GLN NE2 N 110.390 0.001 1 355 47 47 GLN H H 7.450 0.005 1 356 47 47 GLN HA H 3.216 0.009 1 357 47 47 GLN HB2 H 0.255 0.008 2 358 47 47 GLN HB3 H -0.376 0.011 2 359 47 47 GLN HG2 H -0.111 0.012 2 360 47 47 GLN HG3 H 0.797 0.009 2 361 47 47 GLN HE21 H 6.329 0.004 1 362 47 47 GLN HE22 H 5.378 0.002 1 363 47 47 GLN C C 179.515 0.1 1 364 47 47 GLN CA C 58.227 0.073 1 365 47 47 GLN CB C 26.419 0.062 1 366 47 47 GLN CG C 32.953 0.069 1 367 47 47 GLN CD C 178.644 0.1 1 368 47 47 GLN N N 116.659 0.055 1 369 47 47 GLN NE2 N 112.432 0.1 1 370 48 48 MET H H 8.176 0.007 1 371 48 48 MET HA H 3.728 0.006 1 372 48 48 MET HB2 H 2.076 0.006 2 373 48 48 MET HB3 H 2.211 0.013 2 374 48 48 MET HG3 H 2.685 0.004 1 375 48 48 MET HE H 1.970 0.004 1 376 48 48 MET C C 177.306 0.1 1 377 48 48 MET CA C 61.075 0.064 1 378 48 48 MET CB C 34.773 0.045 1 379 48 48 MET CG C 33.224 0.071 1 380 48 48 MET CE C 18.417 0.044 1 381 48 48 MET N N 119.715 0.038 1 382 49 49 GLN H H 7.483 0.008 1 383 49 49 GLN HA H 4.029 0.006 1 384 49 49 GLN HB2 H 2.093 0.009 2 385 49 49 GLN HB3 H 2.105 0.004 2 386 49 49 GLN HG2 H 2.400 0.015 2 387 49 49 GLN HG3 H 2.436 0.017 2 388 49 49 GLN C C 177.026 0.01 1 389 49 49 GLN CA C 59.011 0.053 1 390 49 49 GLN CB C 29.834 0.048 1 391 49 49 GLN CG C 34.860 0.078 1 392 49 49 GLN N N 114.536 0.038 1 393 50 50 GLN H H 7.151 0.006 1 394 50 50 GLN HA H 4.426 0.003 1 395 50 50 GLN HB2 H 2.155 0.008 2 396 50 50 GLN HB3 H 1.824 0.004 2 397 50 50 GLN HG2 H 2.303 0.005 2 398 50 50 GLN HG3 H 2.310 0.006 2 399 50 50 GLN HE21 H 7.034 0.005 1 400 50 50 GLN HE22 H 6.583 0.001 1 401 50 50 GLN C C 175.230 0.027 1 402 50 50 GLN CA C 56.194 0.108 1 403 50 50 GLN CB C 30.354 0.054 1 404 50 50 GLN CG C 34.693 0.065 1 405 50 50 GLN CD C 180.330 0.001 1 406 50 50 GLN N N 114.856 0.034 1 407 50 50 GLN NE2 N 110.352 0.0 1 408 51 51 SER H H 7.314 0.004 1 409 51 51 SER HA H 4.741 0.006 1 410 51 51 SER HB2 H 3.959 0.009 2 411 51 51 SER HB3 H 3.972 0.012 2 412 51 51 SER C C 173.250 0.014 1 413 51 51 SER CA C 59.604 0.061 1 414 51 51 SER CB C 66.562 0.093 1 415 51 51 SER N N 114.413 0.029 1 416 52 52 SER H H 8.557 0.012 1 417 52 52 SER HA H 4.736 0.004 1 418 52 52 SER HB2 H 3.858 0.011 2 419 52 52 SER HB3 H 3.951 0.006 2 420 52 52 SER C C 173.926 0.016 1 421 52 52 SER CA C 58.405 0.068 1 422 52 52 SER CB C 66.674 0.086 1 423 52 52 SER N N 115.428 0.034 1 424 53 53 ASP H H 8.540 0.007 1 425 53 53 ASP HA H 4.455 0.006 1 426 53 53 ASP HB2 H 2.885 0.006 2 427 53 53 ASP HB3 H 2.976 0.006 2 428 53 53 ASP C C 176.474 0.031 1 429 53 53 ASP CA C 56.330 0.077 1 430 53 53 ASP CB C 41.981 0.084 1 431 53 53 ASP N N 120.544 0.038 1 432 54 54 ASP H H 8.549 0.006 1 433 54 54 ASP HA H 4.382 0.006 1 434 54 54 ASP HB2 H 2.695 0.004 2 435 54 54 ASP HB3 H 2.692 0.003 2 436 54 54 ASP C C 177.703 0.033 1 437 54 54 ASP CA C 58.043 0.076 1 438 54 54 ASP CB C 41.075 0.07 1 439 54 54 ASP N N 119.244 0.05 1 440 55 55 THR H H 8.037 0.005 1 441 55 55 THR HA H 3.938 0.01 1 442 55 55 THR HB H 4.342 0.008 1 443 55 55 THR HG2 H 1.355 0.004 1 444 55 55 THR C C 175.358 0.1 1 445 55 55 THR CA C 66.488 0.078 1 446 55 55 THR CB C 70.154 0.085 1 447 55 55 THR CG2 C 23.561 0.07 1 448 55 55 THR N N 114.843 0.045 1 449 56 56 ARG H H 7.415 0.006 1 450 56 56 ARG HA H 4.083 0.006 1 451 56 56 ARG HD2 H 3.287 0.006 2 452 56 56 ARG HD3 H 3.195 0.007 2 453 56 56 ARG HE H 7.108 0.007 1 454 56 56 ARG C C 177.488 0.1 1 455 56 56 ARG CA C 61.560 0.061 1 456 56 56 ARG CB C 31.321 0.033 1 457 56 56 ARG CG C 26.038 0.1 1 458 56 56 ARG CD C 44.568 0.034 1 459 56 56 ARG CZ C 159.592 0.1 1 460 56 56 ARG N N 121.604 0.055 1 461 56 56 ARG NE N 85.827 0.026 1 462 57 57 ILE H H 7.372 0.007 1 463 57 57 ILE HA H 3.667 0.008 1 464 57 57 ILE HB H 1.851 0.007 1 465 57 57 ILE HG12 H 0.979 0.01 2 466 57 57 ILE HG13 H 1.667 0.009 2 467 57 57 ILE HG2 H 0.664 0.005 1 468 57 57 ILE HD1 H 0.858 0.007 1 469 57 57 ILE C C 178.288 0.1 1 470 57 57 ILE CA C 65.061 0.1 1 471 57 57 ILE CB C 38.168 0.062 1 472 57 57 ILE CG1 C 29.867 0.114 1 473 57 57 ILE CG2 C 18.663 0.055 1 474 57 57 ILE CD1 C 13.927 0.069 1 475 57 57 ILE N N 116.630 0.035 1 476 58 58 ASN H H 7.560 0.009 1 477 58 58 ASN HA H 4.311 0.006 1 478 58 58 ASN HB2 H 2.663 0.01 2 479 58 58 ASN HB3 H 2.346 0.004 2 480 58 58 ASN C C 177.986 0.1 1 481 58 58 ASN CA C 57.241 0.044 1 482 58 58 ASN CB C 38.106 0.066 1 483 58 58 ASN N N 119.049 0.06 1 484 59 59 TRP H H 7.649 0.005 1 485 59 59 TRP HA H 4.625 0.003 1 486 59 59 TRP HB2 H 2.946 0.01 2 487 59 59 TRP HB3 H 3.463 0.01 2 488 59 59 TRP HD1 H 7.009 0.007 1 489 59 59 TRP HE1 H 10.067 0.007 1 490 59 59 TRP HZ2 H 7.415 0.006 1 491 59 59 TRP C C 177.541 0.1 1 492 59 59 TRP CA C 60.766 0.082 1 493 59 59 TRP CB C 30.807 0.067 1 494 59 59 TRP CD1 C 129.977 0.064 1 495 59 59 TRP CZ2 C 115.709 0.102 1 496 59 59 TRP N N 117.621 0.029 1 497 59 59 TRP NE1 N 128.765 0.016 1 498 60 60 GLN H H 8.502 0.006 1 499 60 60 GLN HA H 4.027 0.015 1 500 60 60 GLN HG2 H 2.321 0.01 2 501 60 60 GLN HG3 H 2.227 0.01 2 502 60 60 GLN HE21 H 6.393 0.009 1 503 60 60 GLN HE22 H 5.414 0.005 1 504 60 60 GLN C C 178.202 0.1 1 505 60 60 GLN CA C 61.051 0.058 1 506 60 60 GLN CB C 29.526 0.023 1 507 60 60 GLN N N 121.639 0.05 1 508 60 60 GLN NE2 N 104.104 0.1 1 509 61 61 LEU H H 8.492 0.009 1 510 61 61 LEU HD2 H 0.876 0.003 1 511 61 61 LEU CA C 59.461 0.083 1 512 61 61 LEU CB C 45.144 0.1 1 513 61 61 LEU CD2 C 27.565 0.071 1 514 61 61 LEU N N 118.438 0.068 1 515 62 62 LEU H H 7.678 0.013 1 516 62 62 LEU HA H 3.677 0.007 1 517 62 62 LEU HB2 H 1.458 0.01 2 518 62 62 LEU HB3 H -0.217 0.012 2 519 62 62 LEU HG H 1.421 0.011 1 520 62 62 LEU HD1 H 0.601 0.005 2 521 62 62 LEU HD2 H 0.600 0.004 2 522 62 62 LEU C C 178.444 0.1 1 523 62 62 LEU CA C 59.006 0.071 1 524 62 62 LEU CB C 41.128 0.056 1 525 62 62 LEU CG C 28.213 0.108 1 526 62 62 LEU CD1 C 24.225 0.045 2 527 62 62 LEU CD2 C 28.079 0.048 2 528 63 63 ALA H H 8.773 0.007 1 529 63 63 ALA HA H 4.013 0.007 1 530 63 63 ALA HB H 1.458 0.006 1 531 63 63 ALA C C 179.005 0.1 1 532 63 63 ALA CA C 57.174 0.069 1 533 63 63 ALA CB C 19.093 0.083 1 534 63 63 ALA N N 121.821 0.044 1 535 64 64 ILE H H 8.282 0.008 1 536 64 64 ILE HA H 3.517 0.005 1 537 64 64 ILE HB H 2.085 0.007 1 538 64 64 ILE HG2 H 1.081 0.006 1 539 64 64 ILE HD1 H 0.928 0.009 1 540 64 64 ILE CA C 67.761 0.03 1 541 64 64 ILE CB C 38.942 0.063 1 542 64 64 ILE CG2 C 20.784 0.044 1 543 64 64 ILE CD1 C 16.870 0.041 1 544 64 64 ILE N N 116.913 0.048 1 545 65 65 ARG H H 7.474 0.009 1 546 65 65 ARG HA H 3.676 0.006 1 547 65 65 ARG HB2 H 2.072 0.009 2 548 65 65 ARG HB3 H 2.158 0.008 2 549 65 65 ARG HG2 H 1.694 0.005 2 550 65 65 ARG HG3 H 1.686 0.004 2 551 65 65 ARG HD2 H 3.252 0.008 2 552 65 65 ARG HD3 H 3.202 0.006 2 553 65 65 ARG HE H 7.592 0.008 1 554 65 65 ARG C C 178.448 0.006 1 555 65 65 ARG CA C 60.902 0.072 1 556 65 65 ARG CB C 31.876 0.056 1 557 65 65 ARG CG C 27.483 0.025 1 558 65 65 ARG CD C 45.309 0.08 1 559 65 65 ARG CZ C 159.642 0.1 1 560 65 65 ARG NE N 85.075 0.034 1 561 66 66 ALA H H 8.367 0.009 1 562 66 66 ALA HA H 4.241 0.006 1 563 66 66 ALA HB H 1.660 0.006 1 564 66 66 ALA C C 178.987 0.1 1 565 66 66 ALA CA C 56.036 0.073 1 566 66 66 ALA CB C 19.526 0.047 1 567 66 66 ALA N N 120.843 0.047 1 568 67 67 LEU H H 8.832 0.009 1 569 67 67 LEU HA H 3.993 0.009 1 570 67 67 LEU HB3 H 2.018 0.015 1 571 67 67 LEU HD1 H 0.904 0.006 2 572 67 67 LEU HD2 H 0.709 0.004 2 573 67 67 LEU C C 179.523 0.1 1 574 67 67 LEU CA C 59.463 0.093 1 575 67 67 LEU CB C 42.896 0.051 1 576 67 67 LEU CD1 C 24.734 0.044 2 577 67 67 LEU CD2 C 27.209 0.024 2 578 67 67 LEU N N 118.885 0.019 1 579 68 68 VAL H H 8.025 0.01 1 580 68 68 VAL HA H 3.291 0.007 1 581 68 68 VAL HB H 2.180 0.003 1 582 68 68 VAL HG1 H 0.886 0.01 2 583 68 68 VAL HG2 H 0.791 0.006 2 584 68 68 VAL C C 179.935 0.1 1 585 68 68 VAL CA C 68.443 0.081 1 586 68 68 VAL CB C 32.341 0.088 1 587 68 68 VAL CG1 C 25.327 0.037 2 588 68 68 VAL CG2 C 22.851 0.031 2 589 68 68 VAL N N 118.171 0.04 1 590 69 69 LYS H H 7.897 0.008 1 591 69 69 LYS HA H 4.027 0.006 1 592 69 69 LYS HB2 H 2.076 0.004 2 593 69 69 LYS HB3 H 2.085 0.007 2 594 69 69 LYS HG2 H 1.526 0.004 2 595 69 69 LYS HG3 H 1.620 0.003 2 596 69 69 LYS HD2 H 1.720 0.007 2 597 69 69 LYS HD3 H 1.729 0.009 2 598 69 69 LYS HE2 H 3.006 0.005 2 599 69 69 LYS HE3 H 2.987 0.005 2 600 69 69 LYS C C 178.724 0.1 1 601 69 69 LYS CA C 60.243 0.071 1 602 69 69 LYS CB C 32.915 0.075 1 603 69 69 LYS CG C 25.772 0.041 1 604 69 69 LYS CD C 29.881 0.011 1 605 69 69 LYS CE C 43.018 0.086 1 606 69 69 LYS N N 122.670 0.06 1 607 70 70 GLU H H 8.224 0.009 1 608 70 70 GLU HA H 4.192 0.005 1 609 70 70 GLU HB2 H 2.248 0.007 2 610 70 70 GLU HB3 H 2.086 0.007 2 611 70 70 GLU HG2 H 2.446 0.005 2 612 70 70 GLU HG3 H 2.672 0.004 2 613 70 70 GLU C C 176.711 0.1 1 614 70 70 GLU CA C 57.358 0.069 1 615 70 70 GLU CB C 31.349 0.08 1 616 70 70 GLU CG C 37.212 0.086 1 617 70 70 GLU N N 116.695 0.043 1 618 71 71 GLY H H 7.889 0.003 1 619 71 71 GLY HA2 H 3.907 0.007 2 620 71 71 GLY HA3 H 4.258 0.006 2 621 71 71 GLY C C 175.343 0.1 1 622 71 71 GLY CA C 46.723 0.081 1 623 71 71 GLY N N 107.824 0.038 1 624 72 72 LYS H H 8.416 0.006 1 625 72 72 LYS HA H 4.648 0.004 1 626 72 72 LYS HB2 H 1.770 0.011 2 627 72 72 LYS HB3 H 1.961 0.014 2 628 72 72 LYS HG2 H 1.325 0.006 2 629 72 72 LYS HG3 H 1.312 0.008 2 630 72 72 LYS HD2 H 1.688 0.011 2 631 72 72 LYS HD3 H 1.671 0.009 2 632 72 72 LYS HE2 H 2.976 0.009 2 633 72 72 LYS HE3 H 3.015 0.008 2 634 72 72 LYS C C 176.759 0.016 1 635 72 72 LYS CA C 55.112 0.058 1 636 72 72 LYS CB C 31.984 0.074 1 637 72 72 LYS CG C 25.867 0.082 1 638 72 72 LYS CD C 30.927 0.055 1 639 72 72 LYS CE C 43.711 0.072 1 640 72 72 LYS N N 124.996 0.044 1 641 73 73 THR H H 7.490 0.004 1 642 73 73 THR HA H 3.390 0.007 1 643 73 73 THR HB H 3.962 0.005 1 644 73 73 THR HG2 H 1.077 0.005 1 645 73 73 THR C C 175.978 0.1 1 646 73 73 THR CA C 67.840 0.08 1 647 73 73 THR CB C 69.045 0.078 1 648 73 73 THR CG2 C 24.611 0.058 1 649 73 73 THR N N 114.786 0.03 1 650 74 74 GLY H H 8.693 0.006 1 651 74 74 GLY HA2 H 3.863 0.008 2 652 74 74 GLY HA3 H 3.692 0.004 2 653 74 74 GLY C C 176.787 0.1 1 654 74 74 GLY CA C 48.359 0.102 1 655 74 74 GLY N N 108.287 0.028 1 656 75 75 GLN H H 7.875 0.007 1 657 75 75 GLN HA H 4.069 0.005 1 658 75 75 GLN HB2 H 2.059 0.012 2 659 75 75 GLN HB3 H 2.084 0.007 2 660 75 75 GLN HG2 H 2.439 0.004 2 661 75 75 GLN HG3 H 2.432 0.006 2 662 75 75 GLN HE21 H 7.393 0.007 1 663 75 75 GLN HE22 H 6.611 0.01 1 664 75 75 GLN C C 178.347 0.014 1 665 75 75 GLN CA C 59.926 0.089 1 666 75 75 GLN CB C 29.850 0.04 1 667 75 75 GLN CG C 35.440 0.042 1 668 75 75 GLN CD C 179.496 0.013 1 669 75 75 GLN N N 122.209 0.046 1 670 75 75 GLN NE2 N 109.586 0.01 1 671 76 76 ALA H H 8.069 0.009 1 672 76 76 ALA HA H 3.924 0.009 1 673 76 76 ALA HB H 1.503 0.005 1 674 76 76 ALA C C 178.999 0.002 1 675 76 76 ALA CA C 56.605 0.079 1 676 76 76 ALA CB C 20.012 0.075 1 677 76 76 ALA N N 122.218 0.042 1 678 77 77 VAL H H 8.326 0.009 1 679 77 77 VAL HA H 3.404 0.009 1 680 77 77 VAL HB H 2.101 0.01 1 681 77 77 VAL HG1 H 0.893 0.007 2 682 77 77 VAL HG2 H 0.924 0.012 2 683 77 77 VAL C C 177.625 0.1 1 684 77 77 VAL CA C 67.891 0.074 1 685 77 77 VAL CB C 32.904 0.072 1 686 77 77 VAL CG1 C 22.112 0.033 2 687 77 77 VAL CG2 C 24.746 0.05 2 688 77 77 VAL N N 117.880 0.044 1 689 78 78 GLU H H 7.539 0.01 1 690 78 78 GLU HA H 4.030 0.009 1 691 78 78 GLU HB2 H 2.082 0.008 2 692 78 78 GLU HB3 H 2.088 0.009 2 693 78 78 GLU HG2 H 2.234 0.005 2 694 78 78 GLU HG3 H 2.379 0.005 2 695 78 78 GLU C C 178.968 0.1 1 696 78 78 GLU CA C 60.520 0.059 1 697 78 78 GLU CB C 30.024 0.101 1 698 78 78 GLU CG C 36.360 0.073 1 699 78 78 GLU N N 118.870 0.033 1 700 79 79 LEU H H 7.737 0.005 1 701 79 79 LEU HA H 4.092 0.01 1 702 79 79 LEU HB2 H 1.566 0.01 2 703 79 79 LEU HB3 H 1.666 0.008 2 704 79 79 LEU HG H 1.561 0.006 1 705 79 79 LEU HD1 H 0.878 0.008 2 706 79 79 LEU HD2 H 0.865 0.009 2 707 79 79 LEU C C 179.901 0.1 1 708 79 79 LEU CA C 58.443 0.068 1 709 79 79 LEU CB C 43.460 0.053 1 710 79 79 LEU CG C 28.468 0.037 1 711 79 79 LEU CD1 C 25.364 0.05 2 712 79 79 LEU CD2 C 26.931 0.018 2 713 79 79 LEU N N 118.491 0.039 1 714 80 80 PHE H H 8.879 0.005 1 715 80 80 PHE HA H 3.960 0.011 1 716 80 80 PHE HB2 H 3.411 0.005 2 717 80 80 PHE HB3 H 2.960 0.006 2 718 80 80 PHE HD1 H 7.049 0.006 3 719 80 80 PHE HD2 H 7.049 0.006 3 720 80 80 PHE HE1 H 7.401 0.005 3 721 80 80 PHE HE2 H 7.401 0.005 3 722 80 80 PHE HZ H 7.206 0.005 1 723 80 80 PHE C C 178.452 0.1 1 724 80 80 PHE CA C 62.463 0.086 1 725 80 80 PHE CB C 40.718 0.066 1 726 80 80 PHE CD1 C 132.513 0.103 3 727 80 80 PHE CD2 C 132.513 0.103 3 728 80 80 PHE CE1 C 132.428 0.091 3 729 80 80 PHE CE2 C 132.428 0.091 3 730 80 80 PHE CZ C 130.971 0.093 1 731 80 80 PHE N N 123.774 0.034 1 732 81 81 ASN H H 8.513 0.007 1 733 81 81 ASN HA H 4.536 0.008 1 734 81 81 ASN HB2 H 2.952 0.011 2 735 81 81 ASN HB3 H 2.969 0.01 2 736 81 81 ASN C C 175.778 0.046 1 737 81 81 ASN CA C 55.716 0.116 1 738 81 81 ASN CB C 38.904 0.067 1 739 81 81 ASN N N 118.606 0.044 1 740 82 82 GLN H H 7.218 0.003 1 741 82 82 GLN HA H 4.340 0.004 1 742 82 82 GLN HB2 H 2.345 0.014 2 743 82 82 GLN HB3 H 1.826 0.008 2 744 82 82 GLN HG2 H 2.354 0.012 2 745 82 82 GLN HG3 H 2.556 0.004 2 746 82 82 GLN C C 176.510 0.001 1 747 82 82 GLN CA C 56.023 0.047 1 748 82 82 GLN CB C 30.250 0.056 1 749 82 82 GLN CG C 34.834 0.082 1 750 82 82 GLN N N 116.371 0.048 1 751 83 83 LEU H H 7.239 0.009 1 752 83 83 LEU HA H 4.193 0.006 1 753 83 83 LEU HB2 H 1.031 0.013 2 754 83 83 LEU HB3 H 1.568 0.013 2 755 83 83 LEU HG H 1.718 0.007 1 756 83 83 LEU HD1 H 0.407 0.002 2 757 83 83 LEU HD2 H 0.658 0.011 2 758 83 83 LEU CA C 55.034 0.041 1 759 83 83 LEU CB C 42.708 0.072 1 760 83 83 LEU CD1 C 26.809 0.017 2 761 83 83 LEU CD2 C 24.709 0.025 2 762 83 83 LEU N N 124.430 0.042 1 763 84 84 PRO HA H 4.426 0.008 1 764 84 84 PRO HB2 H 1.885 0.004 2 765 84 84 PRO HB3 H 2.367 0.009 2 766 84 84 PRO HG2 H 2.027 0.004 2 767 84 84 PRO HG3 H 1.896 0.007 2 768 84 84 PRO HD2 H 3.203 0.007 2 769 84 84 PRO HD3 H 3.899 0.008 2 770 84 84 PRO C C 175.437 0.015 1 771 84 84 PRO CA C 63.280 0.078 1 772 84 84 PRO CB C 33.188 0.062 1 773 84 84 PRO CG C 28.330 0.054 1 774 84 84 PRO CD C 51.212 0.083 1 775 85 85 GLN H H 8.190 0.007 1 776 85 85 GLN HA H 3.978 0.011 1 777 85 85 GLN HB2 H 2.038 0.007 2 778 85 85 GLN HB3 H 1.925 0.007 2 779 85 85 GLN HG2 H 2.356 0.007 2 780 85 85 GLN HG3 H 2.365 0.007 2 781 85 85 GLN C C 177.193 0.018 1 782 85 85 GLN CA C 58.523 0.039 1 783 85 85 GLN CB C 30.128 0.069 1 784 85 85 GLN CG C 35.030 0.055 1 785 85 85 GLN N N 116.967 0.042 1 786 86 86 GLU H H 7.667 0.008 1 787 86 86 GLU HA H 4.361 0.006 1 788 86 86 GLU HB2 H 1.909 0.006 2 789 86 86 GLU HB3 H 1.927 0.011 2 790 86 86 GLU HG2 H 2.174 0.005 2 791 86 86 GLU HG3 H 2.240 0.007 2 792 86 86 GLU C C 173.762 0.012 1 793 86 86 GLU CA C 57.067 0.063 1 794 86 86 GLU CB C 29.190 0.056 1 795 86 86 GLU CG C 36.133 0.066 1 796 86 86 GLU N N 118.829 0.042 1 797 87 87 LEU H H 7.401 0.007 1 798 87 87 LEU HA H 4.632 0.007 1 799 87 87 LEU HB2 H 1.445 0.013 2 800 87 87 LEU HB3 H 1.579 0.008 2 801 87 87 LEU HG H 1.503 0.005 1 802 87 87 LEU HD1 H 0.678 0.01 2 803 87 87 LEU HD2 H 0.709 0.013 2 804 87 87 LEU C C 176.978 0.005 1 805 87 87 LEU CA C 54.058 0.081 1 806 87 87 LEU CB C 46.498 0.086 1 807 87 87 LEU CG C 27.254 0.037 1 808 87 87 LEU CD1 C 27.942 0.055 2 809 87 87 LEU CD2 C 24.892 0.047 2 810 87 87 LEU N N 123.745 0.037 1 811 88 88 ASN H H 8.402 0.005 1 812 88 88 ASN HA H 4.725 0.004 1 813 88 88 ASN HB2 H 3.279 0.006 2 814 88 88 ASN HB3 H 2.799 0.013 2 815 88 88 ASN C C 175.376 0.008 1 816 88 88 ASN CA C 52.738 0.075 1 817 88 88 ASN CB C 38.792 0.06 1 818 88 88 ASN N N 119.483 0.033 1 819 89 89 ASP H H 8.276 0.007 1 820 89 89 ASP HA H 4.201 0.004 1 821 89 89 ASP HB2 H 2.602 0.006 2 822 89 89 ASP HB3 H 2.598 0.005 2 823 89 89 ASP C C 178.005 0.006 1 824 89 89 ASP CA C 59.579 0.079 1 825 89 89 ASP CB C 41.688 0.073 1 826 89 89 ASP N N 116.983 0.045 1 827 90 90 ALA H H 8.016 0.007 1 828 90 90 ALA HA H 4.070 0.008 1 829 90 90 ALA HB H 1.420 0.005 1 830 90 90 ALA C C 181.450 0.024 1 831 90 90 ALA CA C 56.393 0.028 1 832 90 90 ALA CB C 19.073 0.053 1 833 90 90 ALA N N 122.548 0.045 1 834 91 91 GLN H H 8.554 0.011 1 835 91 91 GLN HA H 3.793 0.006 1 836 91 91 GLN HG3 H 2.716 0.007 1 837 91 91 GLN HE21 H 6.300 0.003 1 838 91 91 GLN HE22 H 7.191 0.008 1 839 91 91 GLN C C 178.203 0.004 1 840 91 91 GLN CA C 59.140 0.076 1 841 91 91 GLN CB C 29.839 0.009 1 842 91 91 GLN CG C 34.391 0.082 1 843 91 91 GLN CD C 178.685 0.042 1 844 91 91 GLN N N 119.213 0.043 1 845 91 91 GLN NE2 N 108.622 0.009 1 846 92 92 ARG H H 8.817 0.005 1 847 92 92 ARG HA H 3.794 0.004 1 848 92 92 ARG HB2 H 1.881 0.005 2 849 92 92 ARG HB3 H 1.879 0.005 2 850 92 92 ARG HG2 H 1.696 0.006 2 851 92 92 ARG HG3 H 1.546 0.014 2 852 92 92 ARG HD2 H 3.236 0.014 2 853 92 92 ARG HD3 H 3.207 0.02 2 854 92 92 ARG C C 179.253 0.1 1 855 92 92 ARG CA C 61.064 0.054 1 856 92 92 ARG CB C 31.012 0.058 1 857 92 92 ARG CG C 29.558 0.041 1 858 92 92 ARG CD C 44.240 0.067 1 859 92 92 ARG N N 119.827 0.039 1 860 93 93 ARG H H 7.879 0.006 1 861 93 93 ARG HA H 4.001 0.011 1 862 93 93 ARG HB2 H 2.033 0.007 2 863 93 93 ARG HB3 H 1.741 0.009 2 864 93 93 ARG HG2 H 1.879 0.005 2 865 93 93 ARG HG3 H 1.599 0.006 2 866 93 93 ARG HD2 H 3.135 0.004 2 867 93 93 ARG HD3 H 3.271 0.005 2 868 93 93 ARG HE H 7.369 0.002 1 869 93 93 ARG C C 177.491 0.1 1 870 93 93 ARG CA C 61.122 0.084 1 871 93 93 ARG CB C 31.546 0.032 1 872 93 93 ARG CG C 29.553 0.035 1 873 93 93 ARG CD C 45.192 0.065 1 874 93 93 ARG CZ C 159.683 0.1 1 875 93 93 ARG N N 120.319 0.037 1 876 93 93 ARG NE N 85.341 0.019 1 877 94 94 GLU H H 7.563 0.01 1 878 94 94 GLU C C 177.752 0.1 1 879 94 94 GLU CA C 59.788 0.057 1 880 94 94 GLU CB C 29.766 0.047 1 881 94 94 GLU CG C 36.528 0.027 1 882 94 94 GLU N N 118.978 0.101 1 883 95 95 LYS H H 8.643 0.006 1 884 95 95 LYS HA H 3.791 0.007 1 885 95 95 LYS HB2 H 2.033 0.016 2 886 95 95 LYS HB3 H 1.636 0.005 2 887 95 95 LYS HG3 H 1.068 0.007 1 888 95 95 LYS HD2 H 1.325 0.005 2 889 95 95 LYS HD3 H 1.450 0.003 2 890 95 95 LYS HE2 H 2.636 0.007 2 891 95 95 LYS HE3 H 2.442 0.003 2 892 95 95 LYS C C 177.585 0.1 1 893 95 95 LYS CA C 61.781 0.132 1 894 95 95 LYS CB C 33.580 0.08 1 895 95 95 LYS CD C 31.379 0.065 1 896 95 95 LYS CE C 43.125 0.04 1 897 95 95 LYS N N 119.461 0.026 1 898 96 96 THR H H 7.937 0.01 1 899 96 96 THR HA H 3.943 0.014 1 900 96 96 THR HB H 4.255 0.008 1 901 96 96 THR HG2 H 1.210 0.008 1 902 96 96 THR C C 175.660 0.1 1 903 96 96 THR CA C 67.803 0.064 1 904 96 96 THR CB C 69.694 0.093 1 905 96 96 THR CG2 C 22.962 0.055 1 906 96 96 THR N N 113.616 0.031 1 907 97 97 LEU H H 7.415 0.007 1 908 97 97 LEU HA H 3.963 0.006 1 909 97 97 LEU HB2 H 1.554 0.007 2 910 97 97 LEU HB3 H 1.688 0.008 2 911 97 97 LEU HD1 H 0.793 0.005 2 912 97 97 LEU HD2 H 0.812 0.008 2 913 97 97 LEU C C 178.748 0.006 1 914 97 97 LEU CA C 58.781 0.078 1 915 97 97 LEU CB C 43.306 0.059 1 916 97 97 LEU CD1 C 24.558 0.019 2 917 97 97 LEU CD2 C 25.628 0.058 2 918 97 97 LEU N N 122.174 0.037 1 919 98 98 LEU H H 8.729 0.006 1 920 98 98 LEU HA H 4.199 0.008 1 921 98 98 LEU HB2 H 1.308 0.009 2 922 98 98 LEU HB3 H 2.238 0.006 2 923 98 98 LEU HG H 1.981 0.008 1 924 98 98 LEU HD1 H 0.948 0.012 2 925 98 98 LEU HD2 H 1.068 0.005 2 926 98 98 LEU C C 178.729 0.1 1 927 98 98 LEU CA C 58.434 0.074 1 928 98 98 LEU CB C 43.383 0.071 1 929 98 98 LEU CD1 C 23.565 0.05 2 930 98 98 LEU CD2 C 28.680 0.032 2 931 98 98 LEU N N 119.694 0.025 1 932 99 99 ALA H H 8.341 0.009 1 933 99 99 ALA HA H 3.437 0.007 1 934 99 99 ALA HB H 1.545 0.004 1 935 99 99 ALA C C 180.561 0.1 1 936 99 99 ALA CA C 56.222 0.079 1 937 99 99 ALA CB C 19.390 0.079 1 938 99 99 ALA N N 120.390 0.042 1 939 100 100 VAL H H 7.375 0.011 1 940 100 100 VAL HA H 3.262 0.007 1 941 100 100 VAL HB H 2.498 0.004 1 942 100 100 VAL HG1 H 0.800 0.01 2 943 100 100 VAL HG2 H 1.061 0.006 2 944 100 100 VAL C C 177.208 0.1 1 945 100 100 VAL CA C 67.971 0.081 1 946 100 100 VAL CB C 32.658 0.094 1 947 100 100 VAL CG1 C 22.848 0.039 2 948 100 100 VAL CG2 C 24.137 0.019 2 949 100 100 VAL N N 117.035 0.057 1 950 101 101 GLU H H 7.976 0.009 1 951 101 101 GLU HA H 3.746 0.013 1 952 101 101 GLU HG2 H 2.426 0.011 2 953 101 101 GLU HG3 H 2.203 0.005 2 954 101 101 GLU C C 180.087 0.1 1 955 101 101 GLU CA C 61.203 0.06 1 956 101 101 GLU CB C 29.879 0.006 1 957 101 101 GLU CG C 37.651 0.092 1 958 101 101 GLU N N 119.733 0.036 1 959 102 102 ILE H H 8.829 0.005 1 960 102 102 ILE HA H 3.372 0.011 1 961 102 102 ILE HB H 1.463 0.009 1 962 102 102 ILE HG12 H 1.578 0.011 2 963 102 102 ILE HG13 H 0.451 0.011 2 964 102 102 ILE HG2 H 0.479 0.006 1 965 102 102 ILE HD1 H 0.177 0.003 1 966 102 102 ILE C C 176.545 0.1 1 967 102 102 ILE CA C 67.170 0.083 1 968 102 102 ILE CB C 38.886 0.12 1 969 102 102 ILE CG1 C 31.799 0.064 1 970 102 102 ILE CG2 C 18.350 0.04 1 971 102 102 ILE CD1 C 14.101 0.052 1 972 102 102 ILE N N 121.250 0.053 1 973 103 103 LYS H H 7.465 0.014 1 974 103 103 LYS HA H 4.052 0.007 1 975 103 103 LYS HG2 H 1.325 0.002 2 976 103 103 LYS HG3 H 1.526 0.004 2 977 103 103 LYS HD2 H 1.404 0.004 2 978 103 103 LYS HD3 H 1.577 0.006 2 979 103 103 LYS HE2 H 2.889 0.004 2 980 103 103 LYS HE3 H 2.815 0.002 2 981 103 103 LYS C C 179.695 0.1 1 982 103 103 LYS CA C 60.490 0.082 1 983 103 103 LYS CB C 32.606 0.089 1 984 103 103 LYS CG C 27.135 0.045 1 985 103 103 LYS CD C 29.777 0.026 1 986 103 103 LYS CE C 43.271 0.076 1 987 103 103 LYS N N 118.717 0.056 1 988 104 104 LEU H H 8.265 0.008 1 989 104 104 LEU HA H 3.503 0.004 1 990 104 104 LEU HB2 H 1.883 0.007 2 991 104 104 LEU HB3 H 1.410 0.006 2 992 104 104 LEU HG H 1.697 0.004 1 993 104 104 LEU HD1 H 1.010 0.005 2 994 104 104 LEU HD2 H 0.763 0.009 2 995 104 104 LEU C C 180.767 0.1 1 996 104 104 LEU CA C 59.066 0.076 1 997 104 104 LEU CB C 42.310 0.083 1 998 104 104 LEU CD1 C 27.607 0.032 2 999 104 104 LEU CD2 C 24.398 0.025 2 1000 104 104 LEU N N 118.301 0.035 1 1001 105 105 ALA H H 7.833 0.004 1 1002 105 105 ALA HA H 4.090 0.007 1 1003 105 105 ALA HB H 1.492 0.007 1 1004 105 105 ALA C C 179.594 0.1 1 1005 105 105 ALA CA C 55.828 0.093 1 1006 105 105 ALA CB C 19.568 0.043 1 1007 105 105 ALA N N 125.031 0.039 1 1008 106 106 GLN H H 7.642 0.008 1 1009 106 106 GLN HA H 4.110 0.007 1 1010 106 106 GLN HB2 H 2.084 0.009 2 1011 106 106 GLN HB3 H 2.089 0.008 2 1012 106 106 GLN HG2 H 2.107 0.007 2 1013 106 106 GLN HG3 H 2.438 0.006 2 1014 106 106 GLN HE21 H 6.491 0.01 1 1015 106 106 GLN HE22 H 7.012 0.015 1 1016 106 106 GLN C C 174.867 0.1 1 1017 106 106 GLN CA C 56.871 0.067 1 1018 106 106 GLN CB C 29.986 0.091 1 1019 106 106 GLN CG C 35.222 0.081 1 1020 106 106 GLN CD C 180.061 0.001 1 1021 106 106 GLN N N 115.431 0.029 1 1022 106 106 GLN NE2 N 110.055 0.0 1 1023 107 107 LYS H H 7.697 0.011 1 1024 107 107 LYS HA H 2.781 0.004 1 1025 107 107 LYS HB2 H 1.876 0.005 2 1026 107 107 LYS HB3 H 2.094 0.007 2 1027 107 107 LYS HG2 H 1.218 0.004 2 1028 107 107 LYS HG3 H 1.364 0.009 2 1029 107 107 LYS HD2 H 1.696 0.011 2 1030 107 107 LYS HD3 H 1.743 0.004 2 1031 107 107 LYS HE2 H 3.054 0.004 2 1032 107 107 LYS HE3 H 3.051 0.008 2 1033 107 107 LYS C C 174.293 0.013 1 1034 107 107 LYS CA C 57.837 0.066 1 1035 107 107 LYS CB C 29.161 0.074 1 1036 107 107 LYS CG C 25.960 0.068 1 1037 107 107 LYS CD C 29.935 0.056 1 1038 107 107 LYS CE C 43.566 0.053 1 1039 107 107 LYS N N 113.890 0.032 1 1040 108 108 ASP H H 8.037 0.005 1 1041 108 108 ASP HA H 4.807 0.007 1 1042 108 108 ASP HB2 H 2.309 0.007 2 1043 108 108 ASP HB3 H 2.689 0.009 2 1044 108 108 ASP C C 176.274 0.1 1 1045 108 108 ASP CA C 51.914 0.067 1 1046 108 108 ASP CB C 39.834 0.075 1 1047 108 108 ASP N N 118.782 0.035 1 1048 109 109 PHE H H 7.166 0.008 1 1049 109 109 PHE HA H 3.925 0.005 1 1050 109 109 PHE HB2 H 2.872 0.006 2 1051 109 109 PHE HB3 H 3.296 0.007 2 1052 109 109 PHE HD1 H 7.143 0.005 3 1053 109 109 PHE HD2 H 7.143 0.005 3 1054 109 109 PHE HE1 H 7.316 0.005 3 1055 109 109 PHE HE2 H 7.316 0.005 3 1056 109 109 PHE C C 178.124 0.1 1 1057 109 109 PHE CA C 63.164 0.093 1 1058 109 109 PHE CB C 39.357 0.094 1 1059 109 109 PHE CD1 C 132.338 0.082 3 1060 109 109 PHE CD2 C 132.338 0.082 3 1061 109 109 PHE CE1 C 132.364 0.108 3 1062 109 109 PHE CE2 C 132.364 0.108 3 1063 109 109 PHE N N 121.115 0.045 1 1064 110 110 ALA H H 8.587 0.009 1 1065 110 110 ALA HA H 4.155 0.011 1 1066 110 110 ALA HB H 1.445 0.006 1 1067 110 110 ALA C C 180.739 0.1 1 1068 110 110 ALA CA C 56.108 0.101 1 1069 110 110 ALA CB C 19.046 0.085 1 1070 110 110 ALA N N 122.167 0.039 1 1071 111 111 GLY H H 8.200 0.006 1 1072 111 111 GLY HA2 H 3.816 0.008 2 1073 111 111 GLY HA3 H 3.652 0.007 2 1074 111 111 GLY C C 176.966 0.005 1 1075 111 111 GLY CA C 48.257 0.1 1 1076 111 111 GLY N N 107.967 0.026 1 1077 112 112 ALA H H 8.181 0.007 1 1078 112 112 ALA HA H 3.888 0.008 1 1079 112 112 ALA HB H 1.415 0.009 1 1080 112 112 ALA C C 179.005 0.01 1 1081 112 112 ALA CA C 56.737 0.069 1 1082 112 112 ALA CB C 19.490 0.075 1 1083 112 112 ALA N N 123.483 0.043 1 1084 113 113 GLN H H 8.299 0.006 1 1085 113 113 GLN HA H 3.923 0.008 1 1086 113 113 GLN HB2 H 2.088 0.006 2 1087 113 113 GLN HB3 H 2.239 0.009 2 1088 113 113 GLN HG2 H 2.305 0.01 2 1089 113 113 GLN HG3 H 2.565 0.005 2 1090 113 113 GLN HE21 H 6.621 0.009 1 1091 113 113 GLN HE22 H 6.972 0.006 1 1092 113 113 GLN C C 178.761 0.1 1 1093 113 113 GLN CA C 60.583 0.063 1 1094 113 113 GLN CB C 29.411 0.057 1 1095 113 113 GLN CG C 35.088 0.067 1 1096 113 113 GLN CD C 179.607 0.005 1 1097 113 113 GLN N N 116.275 0.052 1 1098 113 113 GLN NE2 N 109.565 0.016 1 1099 114 114 ASN H H 7.878 0.008 1 1100 114 114 ASN HA H 4.402 0.009 1 1101 114 114 ASN HB2 H 2.869 0.006 2 1102 114 114 ASN HB3 H 2.794 0.006 2 1103 114 114 ASN HD21 H 7.430 0.007 1 1104 114 114 ASN HD22 H 6.792 0.013 1 1105 114 114 ASN C C 177.233 0.008 1 1106 114 114 ASN CA C 57.294 0.085 1 1107 114 114 ASN CB C 39.709 0.072 1 1108 114 114 ASN CG C 175.634 0.002 1 1109 114 114 ASN N N 117.904 0.026 1 1110 114 114 ASN ND2 N 111.884 0.085 1 1111 115 115 LEU H H 7.439 0.01 1 1112 115 115 LEU HA H 4.074 0.009 1 1113 115 115 LEU HB2 H 1.801 0.003 2 1114 115 115 LEU HB3 H 1.411 0.01 2 1115 115 115 LEU HG H 1.739 0.007 1 1116 115 115 LEU HD1 H 0.757 0.006 2 1117 115 115 LEU HD2 H 0.826 0.005 2 1118 115 115 LEU C C 180.021 0.1 1 1119 115 115 LEU CA C 58.571 0.038 1 1120 115 115 LEU CB C 44.060 0.077 1 1121 115 115 LEU CG C 27.949 0.043 1 1122 115 115 LEU CD1 C 26.684 0.017 2 1123 115 115 LEU CD2 C 23.706 0.015 2 1124 115 115 LEU N N 118.665 0.051 1 1125 116 116 LEU H H 8.459 0.011 1 1126 116 116 LEU HA H 3.827 0.017 1 1127 116 116 LEU HB2 H 1.259 0.01 2 1128 116 116 LEU HB3 H 1.858 0.007 2 1129 116 116 LEU HG H 1.636 0.009 1 1130 116 116 LEU HD1 H 0.487 0.005 2 1131 116 116 LEU HD2 H 0.543 0.007 2 1132 116 116 LEU C C 178.873 0.027 1 1133 116 116 LEU CA C 58.887 0.062 1 1134 116 116 LEU CB C 43.567 0.111 1 1135 116 116 LEU CD1 C 25.626 0.021 2 1136 116 116 LEU CD2 C 25.382 0.023 2 1137 116 116 LEU N N 120.316 0.04 1 1138 117 117 ALA H H 7.361 0.006 1 1139 117 117 ALA HA H 4.192 0.005 1 1140 117 117 ALA HB H 1.491 0.005 1 1141 117 117 ALA C C 178.119 0.008 1 1142 117 117 ALA CA C 54.945 0.098 1 1143 117 117 ALA CB C 19.472 0.059 1 1144 117 117 ALA N N 118.643 0.029 1 1145 118 118 LYS H H 7.335 0.007 1 1146 118 118 LYS HA H 4.326 0.005 1 1147 118 118 LYS HB2 H 2.084 0.005 2 1148 118 118 LYS HB3 H 1.825 0.005 2 1149 118 118 LYS HG2 H 1.464 0.012 2 1150 118 118 LYS HG3 H 1.570 0.007 2 1151 118 118 LYS HD2 H 1.638 0.005 2 1152 118 118 LYS HD3 H 1.638 0.01 2 1153 118 118 LYS HE2 H 2.955 0.008 2 1154 118 118 LYS HE3 H 2.990 0.005 2 1155 118 118 LYS C C 176.044 0.018 1 1156 118 118 LYS CA C 56.669 0.048 1 1157 118 118 LYS CB C 33.741 0.07 1 1158 118 118 LYS CG C 25.918 0.058 1 1159 118 118 LYS CD C 29.789 0.077 1 1160 118 118 LYS CE C 43.208 0.044 1 1161 118 118 LYS N N 114.559 0.044 1 1162 119 119 ILE H H 7.425 0.007 1 1163 119 119 ILE HA H 4.118 0.006 1 1164 119 119 ILE HB H 1.833 0.006 1 1165 119 119 ILE HG13 H 0.923 0.004 1 1166 119 119 ILE HG2 H 0.578 0.008 1 1167 119 119 ILE HD1 H 0.776 0.007 1 1168 119 119 ILE C C 174.441 0.026 1 1169 119 119 ILE CA C 61.835 0.084 1 1170 119 119 ILE CB C 41.439 0.06 1 1171 119 119 ILE CG1 C 27.837 0.048 1 1172 119 119 ILE CG2 C 18.798 0.06 1 1173 119 119 ILE CD1 C 15.383 0.064 1 1174 119 119 ILE N N 120.488 0.046 1 1175 120 120 THR H H 8.277 0.009 1 1176 120 120 THR HA H 4.643 0.005 1 1177 120 120 THR HB H 4.120 0.005 1 1178 120 120 THR HG2 H 1.119 0.008 1 1179 120 120 THR CA C 59.076 0.103 1 1180 120 120 THR CB C 70.489 0.035 1 1181 120 120 THR CG2 C 22.601 0.068 1 1182 120 120 THR N N 122.114 0.055 1 1183 121 121 PRO HA H 3.446 0.006 1 1184 121 121 PRO HB2 H 1.694 0.005 2 1185 121 121 PRO HB3 H 1.091 0.01 2 1186 121 121 PRO HG2 H 1.308 0.003 2 1187 121 121 PRO HG3 H 1.925 0.005 2 1188 121 121 PRO HD2 H 3.193 0.003 2 1189 121 121 PRO HD3 H 3.817 0.006 2 1190 121 121 PRO C C 177.118 0.01 1 1191 121 121 PRO CA C 65.528 0.063 1 1192 121 121 PRO CB C 31.418 0.069 1 1193 121 121 PRO CG C 28.022 0.069 1 1194 121 121 PRO CD C 51.625 0.061 1 1195 122 122 ALA H H 7.497 0.012 1 1196 122 122 ALA HA H 4.040 0.005 1 1197 122 122 ALA HB H 1.305 0.003 1 1198 122 122 ALA C C 177.944 0.021 1 1199 122 122 ALA CA C 55.117 0.064 1 1200 122 122 ALA CB C 19.582 0.06 1 1201 122 122 ALA N N 117.718 0.051 1 1202 123 123 ASP H H 7.405 0.004 1 1203 123 123 ASP HA H 4.562 0.004 1 1204 123 123 ASP HB2 H 2.541 0.007 2 1205 123 123 ASP HB3 H 2.730 0.004 2 1206 123 123 ASP C C 175.410 0.036 1 1207 123 123 ASP CA C 55.289 0.086 1 1208 123 123 ASP CB C 42.091 0.086 1 1209 123 123 ASP N N 114.814 0.019 1 1210 124 124 LEU H H 7.216 0.004 1 1211 124 124 LEU HA H 4.365 0.006 1 1212 124 124 LEU HB2 H 1.742 0.009 2 1213 124 124 LEU HB3 H 1.754 0.006 2 1214 124 124 LEU HG H 1.549 0.006 1 1215 124 124 LEU HD1 H 0.592 0.005 2 1216 124 124 LEU HD2 H 0.434 0.003 2 1217 124 124 LEU C C 177.403 0.1 1 1218 124 124 LEU CA C 54.654 0.049 1 1219 124 124 LEU CB C 43.624 0.118 1 1220 124 124 LEU CG C 27.021 0.088 1 1221 124 124 LEU CD1 C 22.669 0.016 2 1222 124 124 LEU CD2 C 26.992 0.03 2 1223 124 124 LEU N N 117.837 0.036 1 1224 125 125 GLU H H 8.450 0.009 1 1225 125 125 GLU HA H 4.391 0.009 1 1226 125 125 GLU HB2 H 2.309 0.01 2 1227 125 125 GLU HB3 H 1.863 0.007 2 1228 125 125 GLU HG2 H 2.437 0.011 2 1229 125 125 GLU HG3 H 2.386 0.011 2 1230 125 125 GLU C C 178.463 0.033 1 1231 125 125 GLU CA C 57.034 0.06 1 1232 125 125 GLU CB C 31.214 0.072 1 1233 125 125 GLU CG C 36.870 0.07 1 1234 125 125 GLU N N 119.921 0.029 1 1235 126 126 GLN H H 9.069 0.008 1 1236 126 126 GLN HA H 3.901 0.005 1 1237 126 126 GLN HB2 H 2.218 0.004 2 1238 126 126 GLN HB3 H 2.126 0.005 2 1239 126 126 GLN HG2 H 2.470 0.005 2 1240 126 126 GLN HG3 H 2.413 0.005 2 1241 126 126 GLN HE21 H 7.445 0.003 1 1242 126 126 GLN HE22 H 6.752 0.012 1 1243 126 126 GLN C C 178.085 0.006 1 1244 126 126 GLN CA C 62.332 0.072 1 1245 126 126 GLN CB C 29.448 0.073 1 1246 126 126 GLN CG C 35.163 0.052 1 1247 126 126 GLN CD C 179.912 0.002 1 1248 126 126 GLN N N 123.159 0.041 1 1249 126 126 GLN NE2 N 111.369 0.003 1 1250 127 127 ASN H H 8.914 0.009 1 1251 127 127 ASN HA H 4.564 0.005 1 1252 127 127 ASN HB2 H 2.790 0.004 2 1253 127 127 ASN HB3 H 2.972 0.004 2 1254 127 127 ASN HD21 H 6.893 0.008 1 1255 127 127 ASN HD22 H 7.648 0.005 1 1256 127 127 ASN C C 177.821 0.029 1 1257 127 127 ASN CA C 57.394 0.088 1 1258 127 127 ASN CB C 39.240 0.065 1 1259 127 127 ASN CG C 176.522 0.018 1 1260 127 127 ASN N N 115.706 0.048 1 1261 127 127 ASN ND2 N 112.138 0.001 1 1262 128 128 GLN H H 7.300 0.006 1 1263 128 128 GLN HA H 4.055 0.008 1 1264 128 128 GLN HB2 H 2.569 0.007 2 1265 128 128 GLN HB3 H 1.862 0.012 2 1266 128 128 GLN C C 177.819 0.1 1 1267 128 128 GLN CA C 58.813 0.096 1 1268 128 128 GLN CB C 31.412 0.142 1 1269 128 128 GLN N N 118.261 0.026 1 1270 129 129 GLN H H 8.537 0.007 1 1271 129 129 GLN HA H 3.700 0.004 1 1272 129 129 GLN HB2 H 2.426 0.017 2 1273 129 129 GLN HB3 H 2.221 0.014 2 1274 129 129 GLN HG2 H 2.478 0.006 2 1275 129 129 GLN HG3 H 2.268 0.007 2 1276 129 129 GLN C C 177.558 0.1 1 1277 129 129 GLN CA C 61.097 0.078 1 1278 129 129 GLN CB C 29.436 0.055 1 1279 129 129 GLN CG C 36.381 0.029 1 1280 129 129 GLN N N 120.148 0.037 1 1281 130 130 ALA H H 8.224 0.006 1 1282 130 130 ALA HA H 4.212 0.007 1 1283 130 130 ALA HB H 1.618 0.004 1 1284 130 130 ALA C C 180.662 0.1 1 1285 130 130 ALA CA C 57.516 0.075 1 1286 130 130 ALA CB C 18.497 0.05 1 1287 130 130 ALA N N 120.554 0.048 1 1288 131 131 ARG H H 7.469 0.01 1 1289 131 131 ARG HA H 4.035 0.002 1 1290 131 131 ARG C C 179.025 0.1 1 1291 131 131 ARG CA C 60.051 0.055 1 1292 131 131 ARG CB C 33.346 0.1 1 1293 131 131 ARG N N 118.408 0.047 1 1294 132 132 TYR H H 8.446 0.011 1 1295 132 132 TYR HA H 3.677 0.009 1 1296 132 132 TYR HB2 H 2.964 0.009 2 1297 132 132 TYR HB3 H 2.523 0.01 2 1298 132 132 TYR HD1 H 5.725 0.006 3 1299 132 132 TYR HD2 H 5.725 0.006 3 1300 132 132 TYR HE1 H 5.671 0.013 3 1301 132 132 TYR HE2 H 5.671 0.013 3 1302 132 132 TYR C C 176.043 0.1 1 1303 132 132 TYR CA C 62.627 0.086 1 1304 132 132 TYR CB C 38.726 0.06 1 1305 132 132 TYR CD1 C 133.232 0.038 3 1306 132 132 TYR CD2 C 133.232 0.038 3 1307 132 132 TYR CE1 C 118.541 0.061 3 1308 132 132 TYR CE2 C 118.541 0.061 3 1309 132 132 TYR N N 123.946 0.057 1 1310 133 133 TRP H H 8.304 0.009 1 1311 133 133 TRP HA H 3.686 0.011 1 1312 133 133 TRP HB2 H 2.536 0.0 2 1313 133 133 TRP HB3 H 2.957 0.017 2 1314 133 133 TRP HD1 H 7.003 0.009 1 1315 133 133 TRP HE1 H 10.555 0.013 1 1316 133 133 TRP HE3 H 7.443 0.005 1 1317 133 133 TRP HZ2 H 7.443 0.007 1 1318 133 133 TRP HZ3 H 7.057 0.007 1 1319 133 133 TRP HH2 H 7.251 0.005 1 1320 133 133 TRP C C 178.560 0.1 1 1321 133 133 TRP CA C 60.987 0.076 1 1322 133 133 TRP CB C 30.403 0.079 1 1323 133 133 TRP CD1 C 129.070 0.081 1 1324 133 133 TRP CE3 C 121.351 0.139 1 1325 133 133 TRP CZ2 C 116.244 0.089 1 1326 133 133 TRP CZ3 C 122.165 0.137 1 1327 133 133 TRP CH2 C 125.629 0.088 1 1328 133 133 TRP N N 118.365 0.034 1 1329 133 133 TRP NE1 N 127.896 0.017 1 1330 134 134 GLN H H 8.125 0.007 1 1331 134 134 GLN HA H 3.805 0.006 1 1332 134 134 GLN HG3 H 2.358 0.006 1 1333 134 134 GLN C C 177.134 0.1 1 1334 134 134 GLN CA C 59.128 0.097 1 1335 134 134 GLN CB C 29.330 0.103 1 1336 134 134 GLN CG C 34.451 0.093 1 1337 134 134 GLN N N 117.543 0.033 1 1338 135 135 ALA H H 7.927 0.007 1 1339 135 135 ALA HA H 4.027 0.007 1 1340 135 135 ALA HB H 1.328 0.004 1 1341 135 135 ALA C C 178.947 0.014 1 1342 135 135 ALA CA C 55.774 0.081 1 1343 135 135 ALA CB C 19.020 0.052 1 1344 135 135 ALA N N 121.069 0.043 1 1345 136 136 LYS H H 7.714 0.005 1 1346 136 136 LYS HA H 3.637 0.007 1 1347 136 136 LYS HB2 H 1.857 0.007 2 1348 136 136 LYS HB3 H 1.729 0.005 2 1349 136 136 LYS HG2 H 1.071 0.01 2 1350 136 136 LYS HG3 H 1.079 0.006 2 1351 136 136 LYS HD2 H 1.447 0.006 2 1352 136 136 LYS HD3 H 1.439 0.009 2 1353 136 136 LYS HE2 H 2.809 0.002 2 1354 136 136 LYS HE3 H 2.925 0.006 2 1355 136 136 LYS C C 179.617 0.1 1 1356 136 136 LYS CA C 60.194 0.074 1 1357 136 136 LYS CB C 32.862 0.046 1 1358 136 136 LYS CG C 25.903 0.059 1 1359 136 136 LYS CD C 30.027 0.066 1 1360 136 136 LYS CE C 42.907 0.061 1 1361 136 136 LYS N N 117.729 0.042 1 1362 137 137 ILE H H 8.232 0.008 1 1363 137 137 ILE HA H 3.369 0.006 1 1364 137 137 ILE HB H 1.888 0.011 1 1365 137 137 ILE HG2 H 0.776 0.006 1 1366 137 137 ILE HD1 H 0.625 0.007 1 1367 137 137 ILE C C 179.872 0.1 1 1368 137 137 ILE CA C 66.617 0.08 1 1369 137 137 ILE CB C 39.417 0.09 1 1370 137 137 ILE CG1 C 25.006 0.1 1 1371 137 137 ILE CG2 C 17.611 0.061 1 1372 137 137 ILE CD1 C 15.458 0.055 1 1373 137 137 ILE N N 122.063 0.031 1 1374 138 138 ASP H H 9.154 0.01 1 1375 138 138 ASP HA H 4.298 0.004 1 1376 138 138 ASP HB2 H 2.659 0.003 2 1377 138 138 ASP HB3 H 2.851 0.006 2 1378 138 138 ASP C C 179.608 0.1 1 1379 138 138 ASP CA C 58.465 0.092 1 1380 138 138 ASP CB C 41.116 0.071 1 1381 138 138 ASP N N 124.348 0.026 1 1382 139 139 ALA H H 8.655 0.008 1 1383 139 139 ALA HA H 4.115 0.006 1 1384 139 139 ALA HB H 1.429 0.005 1 1385 139 139 ALA C C 177.276 0.018 1 1386 139 139 ALA CA C 55.110 0.084 1 1387 139 139 ALA CB C 18.804 0.071 1 1388 139 139 ALA N N 120.677 0.056 1 1389 140 140 SER H H 7.383 0.007 1 1390 140 140 SER HA H 4.225 0.004 1 1391 140 140 SER HB2 H 3.945 0.005 2 1392 140 140 SER HB3 H 4.088 0.011 2 1393 140 140 SER C C 175.432 0.023 1 1394 140 140 SER CA C 61.366 0.068 1 1395 140 140 SER CB C 65.312 0.051 1 1396 140 140 SER N N 111.893 0.051 1 1397 141 141 GLN H H 7.615 0.006 1 1398 141 141 GLN HA H 3.737 0.004 1 1399 141 141 GLN HB2 H 1.864 0.009 2 1400 141 141 GLN HB3 H 2.020 0.01 2 1401 141 141 GLN HG2 H 1.556 0.01 2 1402 141 141 GLN HG3 H 1.400 0.011 2 1403 141 141 GLN HE21 H 7.040 0.009 1 1404 141 141 GLN HE22 H 6.513 0.008 1 1405 141 141 GLN C C 175.269 0.013 1 1406 141 141 GLN CA C 58.152 0.07 1 1407 141 141 GLN CB C 29.263 0.113 1 1408 141 141 GLN CG C 35.340 0.056 1 1409 141 141 GLN CD C 180.876 0.031 1 1410 141 141 GLN N N 115.470 0.032 1 1411 141 141 GLN NE2 N 112.154 0.0 1 1412 142 142 GLY H H 8.493 0.009 1 1413 142 142 GLY HA2 H 3.378 0.008 2 1414 142 142 GLY HA3 H 3.922 0.005 2 1415 142 142 GLY C C 174.041 0.1 1 1416 142 142 GLY CA C 46.394 0.083 1 1417 142 142 GLY N N 106.254 0.041 1 1418 143 143 ARG H H 7.311 0.003 1 1419 143 143 ARG HA H 4.422 0.004 1 1420 143 143 ARG HB2 H 1.764 0.007 2 1421 143 143 ARG HB3 H 1.772 0.007 2 1422 143 143 ARG HG2 H 1.530 0.005 2 1423 143 143 ARG HG3 H 1.632 0.004 2 1424 143 143 ARG HD2 H 3.161 0.003 2 1425 143 143 ARG HD3 H 3.161 0.004 2 1426 143 143 ARG HE H 7.079 0.002 1 1427 143 143 ARG CA C 54.793 0.071 1 1428 143 143 ARG CB C 30.715 0.076 1 1429 143 143 ARG CG C 28.016 0.057 1 1430 143 143 ARG CD C 44.320 0.022 1 1431 143 143 ARG N N 122.304 0.033 1 1432 144 144 PRO HA H 4.043 0.009 1 1433 144 144 PRO HB2 H 2.076 0.007 2 1434 144 144 PRO HB3 H 1.834 0.002 2 1435 144 144 PRO HG2 H 2.038 0.004 2 1436 144 144 PRO HG3 H 1.882 0.001 2 1437 144 144 PRO HD2 H 4.041 0.003 2 1438 144 144 PRO HD3 H 3.584 0.003 2 1439 144 144 PRO C C 175.697 0.1 1 1440 144 144 PRO CA C 64.921 0.045 1 1441 144 144 PRO CB C 32.898 0.077 1 1442 144 144 PRO CG C 28.939 0.073 1 1443 144 144 PRO CD C 51.577 0.034 1 1444 145 145 SER H H 7.084 0.006 1 1445 145 145 SER HA H 4.466 0.014 1 1446 145 145 SER HB2 H 4.144 0.014 2 1447 145 145 SER HB3 H 4.019 0.014 2 1448 145 145 SER C C 174.583 0.1 1 1449 145 145 SER CA C 58.215 0.093 1 1450 145 145 SER CB C 66.684 0.075 1 1451 145 145 SER N N 113.797 0.028 1 1452 146 146 ILE H H 9.286 0.012 1 1453 146 146 ILE HA H 4.037 0.009 1 1454 146 146 ILE HB H 1.872 0.005 1 1455 146 146 ILE HG12 H 1.381 0.007 2 1456 146 146 ILE HG13 H 1.384 0.008 2 1457 146 146 ILE HG2 H 1.000 0.004 1 1458 146 146 ILE HD1 H 0.924 0.009 1 1459 146 146 ILE C C 175.696 0.1 1 1460 146 146 ILE CA C 64.034 0.076 1 1461 146 146 ILE CB C 39.062 0.083 1 1462 146 146 ILE CG1 C 30.645 0.081 1 1463 146 146 ILE CG2 C 18.560 0.063 1 1464 146 146 ILE CD1 C 15.737 0.084 1 1465 146 146 ILE N N 121.559 0.033 1 1466 147 147 ASP H H 7.622 0.008 1 1467 147 147 ASP HA H 4.380 0.007 1 1468 147 147 ASP HB2 H 2.568 0.004 2 1469 147 147 ASP HB3 H 2.573 0.007 2 1470 147 147 ASP C C 178.611 0.1 1 1471 147 147 ASP CA C 58.487 0.082 1 1472 147 147 ASP CB C 42.080 0.058 1 1473 147 147 ASP N N 121.563 0.035 1 1474 148 148 LEU H H 7.569 0.006 1 1475 148 148 LEU HA H 4.048 0.004 1 1476 148 148 LEU HG H 1.394 0.004 1 1477 148 148 LEU HD1 H 0.939 0.008 2 1478 148 148 LEU HD2 H 0.695 0.006 2 1479 148 148 LEU C C 177.873 0.1 1 1480 148 148 LEU CA C 59.087 0.069 1 1481 148 148 LEU CB C 42.758 0.035 1 1482 148 148 LEU CG C 28.433 0.075 1 1483 148 148 LEU CD2 C 27.350 0.027 1 1484 148 148 LEU N N 121.548 0.037 1 1485 149 149 LEU H H 7.493 0.01 1 1486 149 149 LEU HA H 3.792 0.009 1 1487 149 149 LEU HB2 H 1.879 0.006 2 1488 149 149 LEU HB3 H 1.162 0.009 2 1489 149 149 LEU HG H 1.633 0.006 1 1490 149 149 LEU HD1 H 0.570 0.005 2 1491 149 149 LEU HD2 H 0.637 0.005 2 1492 149 149 LEU C C 178.245 0.1 1 1493 149 149 LEU CA C 59.174 0.105 1 1494 149 149 LEU CB C 42.821 0.085 1 1495 149 149 LEU CG C 27.923 0.093 1 1496 149 149 LEU CD1 C 24.643 0.04 2 1497 149 149 LEU CD2 C 26.891 0.029 2 1498 149 149 LEU N N 116.322 0.054 1 1499 150 150 ARG H H 8.387 0.006 1 1500 150 150 ARG HA H 3.742 0.007 1 1501 150 150 ARG HB2 H 1.854 0.003 2 1502 150 150 ARG HB3 H 1.803 0.002 2 1503 150 150 ARG HD2 H 3.154 0.006 2 1504 150 150 ARG HD3 H 2.985 0.01 2 1505 150 150 ARG HE H 7.393 0.008 1 1506 150 150 ARG C C 178.827 0.1 1 1507 150 150 ARG CA C 61.555 0.08 1 1508 150 150 ARG CB C 31.367 0.05 1 1509 150 150 ARG CD C 44.459 0.048 1 1510 150 150 ARG CZ C 159.795 0.1 1 1511 150 150 ARG N N 115.198 0.057 1 1512 150 150 ARG NE N 84.765 0.013 1 1513 151 151 ALA H H 7.640 0.007 1 1514 151 151 ALA HA H 4.048 0.007 1 1515 151 151 ALA HB H 1.623 0.005 1 1516 151 151 ALA C C 178.467 0.1 1 1517 151 151 ALA CA C 55.794 0.068 1 1518 151 151 ALA CB C 19.957 0.061 1 1519 151 151 ALA N N 122.156 0.042 1 1520 152 152 LEU H H 8.012 0.007 1 1521 152 152 LEU HA H 3.666 0.012 1 1522 152 152 LEU HB2 H 1.705 0.007 2 1523 152 152 LEU HB3 H 1.401 0.004 2 1524 152 152 LEU HD1 H 0.804 0.012 2 1525 152 152 LEU HD2 H 0.578 0.003 2 1526 152 152 LEU C C 179.869 0.1 1 1527 152 152 LEU CA C 59.738 0.065 1 1528 152 152 LEU CB C 42.436 0.043 1 1529 152 152 LEU CD1 C 25.051 0.074 2 1530 152 152 LEU CD2 C 26.672 0.026 2 1531 152 152 LEU N N 119.460 0.033 1 1532 153 153 ILE H H 8.027 0.008 1 1533 153 153 ILE HA H 3.787 0.014 1 1534 153 153 ILE HB H 1.690 0.013 1 1535 153 153 ILE HG12 H 1.686 0.003 2 1536 153 153 ILE HG13 H 1.330 0.011 2 1537 153 153 ILE HG2 H 0.926 0.006 1 1538 153 153 ILE HD1 H 0.768 0.003 1 1539 153 153 ILE C C 178.830 0.1 1 1540 153 153 ILE CA C 65.455 0.098 1 1541 153 153 ILE CB C 39.745 0.073 1 1542 153 153 ILE CG1 C 30.995 0.035 1 1543 153 153 ILE CG2 C 17.675 0.055 1 1544 153 153 ILE CD1 C 16.853 0.086 1 1545 153 153 ILE N N 120.460 0.045 1 1546 154 154 ALA H H 7.513 0.01 1 1547 154 154 ALA HA H 3.748 0.011 1 1548 154 154 ALA HB H 0.027 0.007 1 1549 154 154 ALA C C 178.558 0.1 1 1550 154 154 ALA CA C 54.718 0.077 1 1551 154 154 ALA CB C 17.532 0.042 1 1552 154 154 ALA N N 122.076 0.031 1 1553 155 155 GLN H H 7.499 0.009 1 1554 155 155 GLN HA H 3.685 0.005 1 1555 155 155 GLN HB2 H 2.021 0.006 2 1556 155 155 GLN HB3 H 1.983 0.007 2 1557 155 155 GLN HG2 H 2.211 0.01 2 1558 155 155 GLN HG3 H 2.378 0.027 2 1559 155 155 GLN C C 177.030 0.1 1 1560 155 155 GLN CA C 58.895 0.056 1 1561 155 155 GLN CB C 30.870 0.075 1 1562 155 155 GLN N N 115.405 0.039 1 1563 156 156 GLU H H 7.276 0.008 1 1564 156 156 GLU HA H 3.719 0.004 1 1565 156 156 GLU CA C 63.926 0.076 1 1566 156 156 GLU N N 117.748 0.053 1 1567 157 157 PRO HA H 4.147 0.006 1 1568 157 157 PRO HB2 H 2.316 0.005 2 1569 157 157 PRO HB3 H 1.736 0.004 2 1570 157 157 PRO HD2 H 3.643 0.002 2 1571 157 157 PRO HD3 H 3.716 0.004 2 1572 157 157 PRO C C 177.542 0.1 1 1573 157 157 PRO CA C 66.127 0.055 1 1574 157 157 PRO CB C 32.478 0.067 1 1575 157 157 PRO CG C 28.837 0.1 1 1576 157 157 PRO CD C 51.252 0.068 1 1577 158 158 LEU H H 7.886 0.008 1 1578 158 158 LEU HA H 4.239 0.007 1 1579 158 158 LEU HB2 H 2.004 0.009 2 1580 158 158 LEU HB3 H 1.720 0.014 2 1581 158 158 LEU HG H 1.622 0.004 1 1582 158 158 LEU HD1 H 0.928 0.006 2 1583 158 158 LEU HD2 H 1.117 0.009 2 1584 158 158 LEU C C 177.235 0.1 1 1585 158 158 LEU CA C 55.730 0.054 1 1586 158 158 LEU CB C 43.104 0.08 1 1587 158 158 LEU CD1 C 23.396 0.04 2 1588 158 158 LEU CD2 C 27.494 0.028 2 1589 158 158 LEU N N 115.847 0.039 1 1590 159 159 LEU H H 7.227 0.006 1 1591 159 159 LEU HA H 4.426 0.006 1 1592 159 159 LEU HB2 H 1.817 0.016 2 1593 159 159 LEU HB3 H 1.445 0.007 2 1594 159 159 LEU HG H 1.842 0.005 1 1595 159 159 LEU HD1 H 0.777 0.008 2 1596 159 159 LEU HD2 H 0.754 0.007 2 1597 159 159 LEU C C 177.692 0.063 1 1598 159 159 LEU CA C 54.783 0.093 1 1599 159 159 LEU CB C 44.903 0.085 1 1600 159 159 LEU CG C 26.359 0.062 1 1601 159 159 LEU CD1 C 27.965 0.03 2 1602 159 159 LEU CD2 C 22.258 0.019 2 1603 159 159 LEU N N 118.492 0.034 1 1604 160 160 GLY H H 8.617 0.008 1 1605 160 160 GLY HA2 H 4.232 0.006 2 1606 160 160 GLY HA3 H 3.860 0.005 2 1607 160 160 GLY C C 174.301 0.031 1 1608 160 160 GLY CA C 45.176 0.084 1 1609 160 160 GLY N N 108.256 0.035 1 1610 161 161 ALA H H 8.318 0.007 1 1611 161 161 ALA HA H 3.861 0.005 1 1612 161 161 ALA HB H 1.451 0.004 1 1613 161 161 ALA C C 180.026 0.1 1 1614 161 161 ALA CA C 57.297 0.066 1 1615 161 161 ALA CB C 19.937 0.07 1 1616 161 161 ALA N N 121.244 0.045 1 1617 162 162 LYS H H 8.414 0.009 1 1618 162 162 LYS HA H 4.121 0.008 1 1619 162 162 LYS HB2 H 1.842 0.004 2 1620 162 162 LYS HB3 H 1.836 0.005 2 1621 162 162 LYS HG2 H 1.412 0.009 2 1622 162 162 LYS HG3 H 1.496 0.006 2 1623 162 162 LYS HD2 H 1.680 0.007 2 1624 162 162 LYS HD3 H 1.686 0.004 2 1625 162 162 LYS HE2 H 2.987 0.004 2 1626 162 162 LYS HE3 H 2.981 0.006 2 1627 162 162 LYS C C 178.245 0.024 1 1628 162 162 LYS CA C 59.756 0.064 1 1629 162 162 LYS CB C 32.974 0.048 1 1630 162 162 LYS CG C 26.045 0.032 1 1631 162 162 LYS CD C 29.999 0.067 1 1632 162 162 LYS CE C 43.112 0.012 1 1633 162 162 LYS N N 116.072 0.036 1 1634 163 163 GLU H H 7.952 0.007 1 1635 163 163 GLU HA H 4.302 0.006 1 1636 163 163 GLU HB2 H 2.115 0.013 2 1637 163 163 GLU HB3 H 2.152 0.012 2 1638 163 163 GLU HG2 H 2.423 0.006 2 1639 163 163 GLU HG3 H 2.200 0.007 2 1640 163 163 GLU C C 178.105 0.03 1 1641 163 163 GLU CA C 59.176 0.099 1 1642 163 163 GLU CB C 31.563 0.057 1 1643 163 163 GLU CG C 38.049 0.079 1 1644 163 163 GLU N N 118.019 0.032 1 1645 164 164 LYS H H 8.087 0.005 1 1646 164 164 LYS HA H 3.795 0.004 1 1647 164 164 LYS HB2 H 1.738 0.005 2 1648 164 164 LYS HB3 H 1.834 0.007 2 1649 164 164 LYS HG2 H 1.597 0.009 2 1650 164 164 LYS HG3 H 1.530 0.019 2 1651 164 164 LYS HE2 H 3.068 0.005 2 1652 164 164 LYS HE3 H 2.939 0.008 2 1653 164 164 LYS C C 178.179 0.1 1 1654 164 164 LYS CA C 61.641 0.094 1 1655 164 164 LYS CB C 34.192 0.08 1 1656 164 164 LYS CG C 26.498 0.075 1 1657 164 164 LYS CD C 27.215 0.1 1 1658 164 164 LYS CE C 42.801 0.096 1 1659 164 164 LYS N N 120.588 0.063 1 1660 165 165 GLN H H 8.116 0.009 1 1661 165 165 GLN HA H 3.854 0.006 1 1662 165 165 GLN HB2 H 2.221 0.009 2 1663 165 165 GLN HB3 H 2.059 0.013 2 1664 165 165 GLN HG3 H 2.405 0.007 1 1665 165 165 GLN C C 177.562 0.1 1 1666 165 165 GLN CA C 59.881 0.082 1 1667 165 165 GLN CB C 29.579 0.09 1 1668 165 165 GLN N N 118.241 0.031 1 1669 166 166 GLN H H 7.684 0.009 1 1670 166 166 GLN HA H 4.145 0.004 1 1671 166 166 GLN HB2 H 2.202 0.004 2 1672 166 166 GLN HB3 H 2.097 0.005 2 1673 166 166 GLN HG2 H 2.447 0.013 2 1674 166 166 GLN HG3 H 2.469 0.006 2 1675 166 166 GLN HE21 H 7.385 0.01 1 1676 166 166 GLN HE22 H 6.785 0.008 1 1677 166 166 GLN C C 178.559 0.1 1 1678 166 166 GLN CA C 60.066 0.076 1 1679 166 166 GLN CB C 29.092 0.074 1 1680 166 166 GLN CG C 34.961 0.104 1 1681 166 166 GLN CD C 180.234 0.001 1 1682 166 166 GLN N N 116.724 0.045 1 1683 166 166 GLN NE2 N 110.916 0.0 1 1684 167 167 ASN H H 7.373 0.006 1 1685 167 167 ASN HA H 4.291 0.011 1 1686 167 167 ASN HB2 H 2.778 0.007 2 1687 167 167 ASN HB3 H 2.553 0.009 2 1688 167 167 ASN C C 178.110 0.1 1 1689 167 167 ASN CA C 58.000 0.103 1 1690 167 167 ASN CB C 41.224 0.091 1 1691 167 167 ASN N N 121.763 0.036 1 1692 168 168 ILE H H 8.636 0.005 1 1693 168 168 ILE HA H 3.622 0.006 1 1694 168 168 ILE HB H 2.068 0.009 1 1695 168 168 ILE HG12 H 1.460 0.006 2 1696 168 168 ILE HG13 H 1.821 0.007 2 1697 168 168 ILE HG2 H 1.290 0.005 1 1698 168 168 ILE HD1 H 1.012 0.004 1 1699 168 168 ILE C C 178.556 0.1 1 1700 168 168 ILE CA C 66.225 0.068 1 1701 168 168 ILE CB C 38.960 0.074 1 1702 168 168 ILE CG1 C 31.054 0.086 1 1703 168 168 ILE CG2 C 18.642 0.07 1 1704 168 168 ILE CD1 C 13.885 0.077 1 1705 168 168 ILE N N 127.518 0.04 1 1706 169 169 ASP H H 8.959 0.007 1 1707 169 169 ASP HA H 4.664 0.006 1 1708 169 169 ASP HB2 H 2.698 0.003 2 1709 169 169 ASP HB3 H 2.807 0.008 2 1710 169 169 ASP C C 179.897 0.001 1 1711 169 169 ASP CA C 58.722 0.108 1 1712 169 169 ASP CB C 39.890 0.027 1 1713 169 169 ASP N N 122.351 0.035 1 1714 170 170 ALA H H 8.197 0.005 1 1715 170 170 ALA HA H 4.078 0.004 1 1716 170 170 ALA HB H 1.459 0.004 1 1717 170 170 ALA C C 180.406 0.1 1 1718 170 170 ALA CA C 55.981 0.088 1 1719 170 170 ALA CB C 19.141 0.038 1 1720 170 170 ALA N N 124.814 0.028 1 1721 171 171 THR H H 8.138 0.006 1 1722 171 171 THR HA H 3.369 0.011 1 1723 171 171 THR HB H 3.932 0.011 1 1724 171 171 THR HG2 H -0.334 0.005 1 1725 171 171 THR C C 175.278 0.1 1 1726 171 171 THR CA C 67.917 0.131 1 1727 171 171 THR CB C 69.223 0.117 1 1728 171 171 THR CG2 C 18.915 0.062 1 1729 171 171 THR N N 119.850 0.065 1 1730 172 172 TRP H H 8.194 0.006 1 1731 172 172 TRP HA H 4.124 0.008 1 1732 172 172 TRP HB2 H 3.108 0.013 2 1733 172 172 TRP HB3 H 3.126 0.013 2 1734 172 172 TRP HD1 H 6.619 0.005 1 1735 172 172 TRP HE1 H 9.486 0.013 1 1736 172 172 TRP HZ2 H 5.565 0.006 1 1737 172 172 TRP HH2 H 6.508 0.008 1 1738 172 172 TRP C C 178.015 0.1 1 1739 172 172 TRP CA C 59.796 0.057 1 1740 172 172 TRP CB C 30.702 0.084 1 1741 172 172 TRP CD1 C 126.853 0.044 1 1742 172 172 TRP CZ2 C 114.853 0.118 1 1743 172 172 TRP CH2 C 124.124 0.113 1 1744 172 172 TRP N N 120.377 0.043 1 1745 172 172 TRP NE1 N 127.212 0.015 1 1746 173 173 GLN H H 8.586 0.006 1 1747 173 173 GLN HA H 3.394 0.009 1 1748 173 173 GLN HB2 H 1.981 0.011 2 1749 173 173 GLN HB3 H 1.993 0.012 2 1750 173 173 GLN HG2 H 2.197 0.01 2 1751 173 173 GLN HG3 H 2.203 0.004 2 1752 173 173 GLN HE21 H 6.628 0.008 1 1753 173 173 GLN HE22 H 7.238 0.009 1 1754 173 173 GLN C C 177.663 0.1 1 1755 173 173 GLN CA C 59.921 0.081 1 1756 173 173 GLN CB C 28.882 0.087 1 1757 173 173 GLN CG C 34.073 0.064 1 1758 173 173 GLN CD C 179.792 0.001 1 1759 173 173 GLN N N 121.409 0.062 1 1760 173 173 GLN NE2 N 111.190 0.002 1 1761 174 174 ALA H H 7.312 0.005 1 1762 174 174 ALA HA H 3.837 0.009 1 1763 174 174 ALA HB H 1.134 0.007 1 1764 174 174 ALA C C 178.901 0.1 1 1765 174 174 ALA CA C 56.045 0.096 1 1766 174 174 ALA CB C 18.474 0.068 1 1767 174 174 ALA N N 120.690 0.042 1 1768 175 175 LEU H H 7.458 0.009 1 1769 175 175 LEU HA H 3.581 0.007 1 1770 175 175 LEU HB2 H 0.563 0.01 2 1771 175 175 LEU HB3 H 1.039 0.008 2 1772 175 175 LEU HG H 1.432 0.005 1 1773 175 175 LEU HD1 H 0.587 0.006 2 1774 175 175 LEU HD2 H 0.731 0.007 2 1775 175 175 LEU C C 179.239 0.1 1 1776 175 175 LEU CA C 58.351 0.066 1 1777 175 175 LEU CB C 43.414 0.061 1 1778 175 175 LEU CG C 27.452 0.051 1 1779 175 175 LEU CD1 C 25.270 0.035 2 1780 175 175 LEU CD2 C 29.481 0.025 2 1781 175 175 LEU N N 116.300 0.038 1 1782 176 176 SER H H 7.750 0.007 1 1783 176 176 SER HA H 3.372 0.006 1 1784 176 176 SER HB2 H 1.802 0.012 2 1785 176 176 SER HB3 H 2.960 0.007 2 1786 176 176 SER C C 174.694 0.05 1 1787 176 176 SER CA C 60.141 0.079 1 1788 176 176 SER CB C 63.394 0.063 1 1789 176 176 SER N N 110.945 0.035 1 1790 177 177 SER H H 7.017 0.005 1 1791 177 177 SER HA H 4.530 0.007 1 1792 177 177 SER HB2 H 3.858 0.012 2 1793 177 177 SER HB3 H 3.897 0.011 2 1794 177 177 SER C C 173.860 0.009 1 1795 177 177 SER CA C 59.682 0.103 1 1796 177 177 SER CB C 65.017 0.055 1 1797 177 177 SER N N 116.277 0.063 1 1798 178 178 MET H H 6.911 0.005 1 1799 178 178 MET HA H 4.500 0.01 1 1800 178 178 MET HB2 H 1.911 0.008 2 1801 178 178 MET HB3 H 2.067 0.007 2 1802 178 178 MET HG2 H 2.851 0.005 2 1803 178 178 MET HG3 H 2.416 0.007 2 1804 178 178 MET HE H 1.780 0.005 1 1805 178 178 MET C C 175.783 0.031 1 1806 178 178 MET CA C 57.042 0.05 1 1807 178 178 MET CB C 35.912 0.058 1 1808 178 178 MET CG C 33.623 0.073 1 1809 178 178 MET CE C 17.664 0.045 1 1810 178 178 MET N N 120.775 0.037 1 1811 179 179 THR H H 8.137 0.008 1 1812 179 179 THR HA H 4.450 0.007 1 1813 179 179 THR HB H 4.629 0.008 1 1814 179 179 THR HG2 H 1.312 0.005 1 1815 179 179 THR C C 175.699 0.023 1 1816 179 179 THR CA C 61.578 0.07 1 1817 179 179 THR CB C 71.841 0.119 1 1818 179 179 THR CG2 C 22.947 0.037 1 1819 179 179 THR N N 111.039 0.044 1 1820 180 180 GLN H H 8.580 0.011 1 1821 180 180 GLN HA H 3.441 0.01 1 1822 180 180 GLN HB2 H 1.305 0.014 2 1823 180 180 GLN HB3 H 1.636 0.007 2 1824 180 180 GLN HG2 H 1.734 0.01 2 1825 180 180 GLN HG3 H 1.739 0.008 2 1826 180 180 GLN HE21 H 7.201 0.017 1 1827 180 180 GLN HE22 H 6.753 0.008 1 1828 180 180 GLN C C 177.757 0.006 1 1829 180 180 GLN CA C 60.229 0.053 1 1830 180 180 GLN CB C 28.927 0.084 1 1831 180 180 GLN CG C 34.775 0.067 1 1832 180 180 GLN CD C 179.951 0.007 1 1833 180 180 GLN N N 121.747 0.056 1 1834 180 180 GLN NE2 N 111.695 0.001 1 1835 181 181 GLU H H 8.324 0.006 1 1836 181 181 GLU HA H 3.940 0.006 1 1837 181 181 GLU HB2 H 1.972 0.004 2 1838 181 181 GLU HB3 H 1.871 0.004 2 1839 181 181 GLU HG2 H 2.236 0.005 2 1840 181 181 GLU HG3 H 2.308 0.005 2 1841 181 181 GLU C C 179.003 0.1 1 1842 181 181 GLU CA C 60.655 0.073 1 1843 181 181 GLU CB C 29.637 0.077 1 1844 181 181 GLU CG C 36.941 0.075 1 1845 181 181 GLU N N 117.621 0.027 1 1846 182 182 GLN H H 7.561 0.007 1 1847 182 182 GLN HA H 3.962 0.006 1 1848 182 182 GLN HB2 H 2.200 0.008 2 1849 182 182 GLN HB3 H 1.961 0.01 2 1850 182 182 GLN HG2 H 2.338 0.013 2 1851 182 182 GLN HG3 H 2.400 0.012 2 1852 182 182 GLN HE21 H 7.343 0.013 1 1853 182 182 GLN HE22 H 6.575 0.004 1 1854 182 182 GLN C C 179.169 0.004 1 1855 182 182 GLN CA C 59.323 0.085 1 1856 182 182 GLN CB C 29.701 0.102 1 1857 182 182 GLN CG C 34.917 0.073 1 1858 182 182 GLN CD C 179.977 0.0 1 1859 182 182 GLN N N 118.861 0.059 1 1860 182 182 GLN NE2 N 109.580 0.0 1 1861 183 183 ALA H H 8.322 0.007 1 1862 183 183 ALA HA H 4.029 0.01 1 1863 183 183 ALA HB H 1.526 0.007 1 1864 183 183 ALA C C 179.346 0.004 1 1865 183 183 ALA CA C 55.872 0.078 1 1866 183 183 ALA CB C 19.171 0.083 1 1867 183 183 ALA N N 122.889 0.034 1 1868 184 184 ASN H H 7.973 0.007 1 1869 184 184 ASN HA H 4.622 0.005 1 1870 184 184 ASN HB2 H 2.855 0.013 2 1871 184 184 ASN HB3 H 2.870 0.007 2 1872 184 184 ASN HD21 H 6.729 0.008 1 1873 184 184 ASN HD22 H 7.380 0.009 1 1874 184 184 ASN C C 176.273 0.025 1 1875 184 184 ASN CA C 55.553 0.044 1 1876 184 184 ASN CB C 39.691 0.056 1 1877 184 184 ASN CG C 176.341 0.002 1 1878 184 184 ASN N N 114.344 0.018 1 1879 184 184 ASN ND2 N 110.415 0.0 1 1880 185 185 THR H H 7.506 0.005 1 1881 185 185 THR HA H 4.392 0.006 1 1882 185 185 THR HB H 4.411 0.007 1 1883 185 185 THR HG2 H 1.279 0.009 1 1884 185 185 THR C C 174.680 0.021 1 1885 185 185 THR CA C 62.793 0.051 1 1886 185 185 THR CB C 71.047 0.079 1 1887 185 185 THR CG2 C 22.573 0.058 1 1888 185 185 THR N N 108.274 0.027 1 1889 186 186 LEU H H 7.122 0.004 1 1890 186 186 LEU HA H 4.206 0.005 1 1891 186 186 LEU HB2 H 1.196 0.006 2 1892 186 186 LEU HB3 H 1.890 0.006 2 1893 186 186 LEU HG H 1.967 0.009 1 1894 186 186 LEU HD1 H 0.769 0.006 2 1895 186 186 LEU HD2 H 0.854 0.006 2 1896 186 186 LEU C C 176.160 0.005 1 1897 186 186 LEU CA C 56.643 0.08 1 1898 186 186 LEU CB C 42.925 0.07 1 1899 186 186 LEU CG C 27.315 0.116 1 1900 186 186 LEU CD1 C 24.362 0.014 2 1901 186 186 LEU CD2 C 26.988 0.034 2 1902 186 186 LEU N N 122.302 0.031 1 1903 187 187 VAL H H 7.996 0.014 1 1904 187 187 VAL HA H 4.153 0.004 1 1905 187 187 VAL HB H 1.934 0.004 1 1906 187 187 VAL HG1 H 0.916 0.005 2 1907 187 187 VAL HG2 H 0.863 0.005 2 1908 187 187 VAL C C 175.052 0.004 1 1909 187 187 VAL CA C 63.192 0.075 1 1910 187 187 VAL CB C 33.817 0.026 1 1911 187 187 VAL CG1 C 21.744 0.029 2 1912 187 187 VAL CG2 C 22.098 0.018 2 1913 187 187 VAL N N 124.483 0.042 1 1914 188 188 ILE H H 7.979 0.011 1 1915 188 188 ILE HA H 4.412 0.007 1 1916 188 188 ILE HB H 2.028 0.004 1 1917 188 188 ILE HG12 H 1.276 0.005 2 1918 188 188 ILE HG13 H 1.035 0.006 2 1919 188 188 ILE HG2 H 0.828 0.008 1 1920 188 188 ILE HD1 H 0.807 0.004 1 1921 188 188 ILE C C 175.772 0.017 1 1922 188 188 ILE CA C 60.353 0.114 1 1923 188 188 ILE CB C 40.775 0.073 1 1924 188 188 ILE CG1 C 26.772 0.078 1 1925 188 188 ILE CG2 C 19.367 0.059 1 1926 188 188 ILE CD1 C 14.879 0.05 1 1927 188 188 ILE N N 121.791 0.031 1 1928 189 189 ASN H H 9.585 0.013 1 1929 189 189 ASN HA H 4.891 0.004 1 1930 189 189 ASN HB2 H 2.911 0.018 2 1931 189 189 ASN HB3 H 2.929 0.008 2 1932 189 189 ASN HD21 H 7.593 0.008 1 1933 189 189 ASN HD22 H 6.813 0.005 1 1934 189 189 ASN C C 177.150 0.013 1 1935 189 189 ASN CA C 53.646 0.053 1 1936 189 189 ASN CB C 40.822 0.065 1 1937 189 189 ASN N N 122.251 0.034 1 1938 189 189 ASN ND2 N 113.235 0.001 1 1939 190 190 ALA H H 8.552 0.009 1 1940 190 190 ALA HA H 4.040 0.008 1 1941 190 190 ALA HB H 1.429 0.006 1 1942 190 190 ALA C C 177.771 0.1 1 1943 190 190 ALA CA C 55.794 0.051 1 1944 190 190 ALA CB C 19.678 0.051 1 1945 190 190 ALA N N 122.787 0.033 1 1946 191 191 ASP H H 8.278 0.005 1 1947 191 191 ASP HA H 4.612 0.007 1 1948 191 191 ASP HB2 H 2.665 0.005 2 1949 191 191 ASP HB3 H 2.926 0.005 2 1950 191 191 ASP C C 177.341 0.002 1 1951 191 191 ASP CA C 54.570 0.041 1 1952 191 191 ASP CB C 40.640 0.042 1 1953 191 191 ASP N N 112.537 0.021 1 1954 192 192 GLU H H 7.581 0.005 1 1955 192 192 GLU HA H 4.606 0.009 1 1956 192 192 GLU HG2 H 2.035 0.008 2 1957 192 192 GLU HG3 H 2.327 0.007 2 1958 192 192 GLU C C 176.255 0.016 1 1959 192 192 GLU CA C 57.370 0.067 1 1960 192 192 GLU CB C 28.972 0.092 1 1961 192 192 GLU CG C 39.915 0.083 1 1962 192 192 GLU N N 122.489 0.041 1 1963 193 193 ASN H H 8.003 0.007 1 1964 193 193 ASN HA H 4.387 0.008 1 1965 193 193 ASN HB2 H 2.786 0.006 2 1966 193 193 ASN HB3 H 2.864 0.006 2 1967 193 193 ASN HD21 H 6.941 0.006 1 1968 193 193 ASN HD22 H 7.584 0.004 1 1969 193 193 ASN C C 178.373 0.1 1 1970 193 193 ASN CA C 57.974 0.063 1 1971 193 193 ASN CB C 40.206 0.103 1 1972 193 193 ASN CG C 176.232 0.029 1 1973 193 193 ASN N N 119.180 0.049 1 1974 193 193 ASN ND2 N 111.807 0.0 1 1975 194 194 ILE H H 7.881 0.005 1 1976 194 194 ILE HA H 4.124 0.007 1 1977 194 194 ILE HB H 2.192 0.008 1 1978 194 194 ILE HG12 H 1.285 0.006 2 1979 194 194 ILE HG13 H 1.685 0.006 2 1980 194 194 ILE HG2 H 1.177 0.005 1 1981 194 194 ILE HD1 H 0.887 0.006 1 1982 194 194 ILE C C 178.376 0.1 1 1983 194 194 ILE CA C 64.984 0.049 1 1984 194 194 ILE CB C 37.170 0.073 1 1985 194 194 ILE CG1 C 29.753 0.08 1 1986 194 194 ILE CG2 C 20.152 0.036 1 1987 194 194 ILE CD1 C 12.487 0.054 1 1988 194 194 ILE N N 122.612 0.041 1 1989 195 195 LEU H H 8.737 0.013 1 1990 195 195 LEU HA H 4.229 0.012 1 1991 195 195 LEU HB2 H 1.657 0.015 2 1992 195 195 LEU HB3 H 1.998 0.012 2 1993 195 195 LEU HD1 H 0.872 0.006 2 1994 195 195 LEU HD2 H 0.918 0.004 2 1995 195 195 LEU C C 177.949 0.1 1 1996 195 195 LEU CA C 59.643 0.07 1 1997 195 195 LEU CB C 41.837 0.093 1 1998 195 195 LEU CD1 C 24.206 0.038 2 1999 195 195 LEU CD2 C 27.762 0.044 2 2000 195 195 LEU N N 123.256 0.03 1 2001 196 196 GLN H H 8.569 0.008 1 2002 196 196 GLN HA H 3.829 0.008 1 2003 196 196 GLN HB2 H 2.229 0.014 2 2004 196 196 GLN HB3 H 2.201 0.013 2 2005 196 196 GLN HG2 H 2.424 0.005 2 2006 196 196 GLN HG3 H 2.420 0.007 2 2007 196 196 GLN HE21 H 7.115 0.009 1 2008 196 196 GLN HE22 H 6.769 0.019 1 2009 196 196 GLN C C 178.885 0.016 1 2010 196 196 GLN CA C 60.783 0.056 1 2011 196 196 GLN CB C 29.490 0.076 1 2012 196 196 GLN CG C 34.880 0.051 1 2013 196 196 GLN CD C 179.604 0.01 1 2014 196 196 GLN N N 117.375 0.035 1 2015 196 196 GLN NE2 N 110.169 0.1 1 2016 197 197 GLY H H 7.581 0.005 1 2017 197 197 GLY HA2 H 3.185 0.013 2 2018 197 197 GLY HA3 H 2.543 0.008 2 2019 197 197 GLY C C 177.369 0.1 1 2020 197 197 GLY CA C 47.216 0.098 1 2021 197 197 GLY N N 106.115 0.037 1 2022 198 198 TRP H H 8.195 0.007 1 2023 198 198 TRP HA H 4.570 0.01 1 2024 198 198 TRP HB2 H 3.337 0.017 2 2025 198 198 TRP HB3 H 3.371 0.007 2 2026 198 198 TRP HD1 H 6.969 0.005 1 2027 198 198 TRP HE1 H 11.201 0.012 1 2028 198 198 TRP HZ2 H 7.399 0.009 1 2029 198 198 TRP HH2 H 7.146 0.005 1 2030 198 198 TRP C C 178.530 0.1 1 2031 198 198 TRP CA C 62.286 0.059 1 2032 198 198 TRP CB C 30.899 0.06 1 2033 198 198 TRP CD1 C 127.225 0.03 1 2034 198 198 TRP CZ2 C 115.469 0.071 1 2035 198 198 TRP CH2 C 124.888 0.046 1 2036 198 198 TRP N N 125.174 0.042 1 2037 198 198 TRP NE1 N 130.240 0.023 1 2038 199 199 LEU H H 8.602 0.01 1 2039 199 199 LEU HA H 4.118 0.018 1 2040 199 199 LEU HB2 H 1.910 0.008 2 2041 199 199 LEU HB3 H 1.612 0.005 2 2042 199 199 LEU HG H 1.848 0.007 1 2043 199 199 LEU HD1 H 0.839 0.008 2 2044 199 199 LEU HD2 H 0.710 0.008 2 2045 199 199 LEU C C 179.980 0.1 1 2046 199 199 LEU CA C 58.600 0.05 1 2047 199 199 LEU CB C 41.270 0.026 1 2048 199 199 LEU CG C 28.016 0.033 1 2049 199 199 LEU CD1 C 26.936 0.039 2 2050 199 199 LEU CD2 C 23.298 0.021 2 2051 199 199 LEU N N 118.151 0.042 1 2052 200 200 ASP H H 7.989 0.004 1 2053 200 200 ASP HA H 4.686 0.007 1 2054 200 200 ASP HB2 H 2.940 0.004 2 2055 200 200 ASP HB3 H 3.053 0.005 2 2056 200 200 ASP C C 177.749 0.1 1 2057 200 200 ASP CA C 58.500 0.09 1 2058 200 200 ASP CB C 42.859 0.085 1 2059 200 200 ASP N N 121.808 0.051 1 2060 201 201 LEU H H 7.444 0.009 1 2061 201 201 LEU HA H 3.449 0.006 1 2062 201 201 LEU HB2 H -0.739 0.014 2 2063 201 201 LEU HB3 H 1.458 0.008 2 2064 201 201 LEU HG H 1.019 0.005 1 2065 201 201 LEU HD1 H -0.158 0.004 2 2066 201 201 LEU HD2 H -0.532 0.01 2 2067 201 201 LEU C C 178.379 0.1 1 2068 201 201 LEU CA C 58.786 0.082 1 2069 201 201 LEU CB C 39.878 0.068 1 2070 201 201 LEU CG C 26.228 0.07 1 2071 201 201 LEU CD1 C 20.838 0.018 2 2072 201 201 LEU CD2 C 25.045 0.025 2 2073 201 201 LEU N N 121.845 0.043 1 2074 202 202 GLN H H 8.191 0.007 1 2075 202 202 GLN HA H 3.901 0.006 1 2076 202 202 GLN HB2 H 2.706 0.009 2 2077 202 202 GLN HB3 H 2.705 0.008 2 2078 202 202 GLN HG2 H 1.589 0.006 2 2079 202 202 GLN HG3 H 1.774 0.009 2 2080 202 202 GLN HE21 H 5.783 0.006 1 2081 202 202 GLN HE22 H 7.813 0.013 1 2082 202 202 GLN C C 176.688 0.1 1 2083 202 202 GLN CA C 61.082 0.07 1 2084 202 202 GLN CB C 29.937 0.102 1 2085 202 202 GLN CG C 34.819 0.051 1 2086 202 202 GLN CD C 176.872 0.1 1 2087 202 202 GLN N N 118.924 0.036 1 2088 202 202 GLN NE2 N 111.192 0.1 1 2089 203 203 ARG H H 7.801 0.006 1 2090 203 203 ARG HA H 4.185 0.005 1 2091 203 203 ARG HB2 H 2.147 0.003 2 2092 203 203 ARG HB3 H 2.264 0.007 2 2093 203 203 ARG HG2 H 1.927 0.005 2 2094 203 203 ARG HG3 H 1.792 0.005 2 2095 203 203 ARG HD2 H 3.360 0.003 2 2096 203 203 ARG HD3 H 3.362 0.004 2 2097 203 203 ARG C C 178.275 0.1 1 2098 203 203 ARG CA C 60.981 0.064 1 2099 203 203 ARG CB C 30.670 0.082 1 2100 203 203 ARG CG C 28.270 0.055 1 2101 203 203 ARG CD C 44.345 0.064 1 2102 203 203 ARG N N 119.272 0.033 1 2103 204 204 VAL H H 8.095 0.014 1 2104 204 204 VAL HA H 3.680 0.012 1 2105 204 204 VAL HB H 2.387 0.009 1 2106 204 204 VAL HG1 H 1.146 0.005 2 2107 204 204 VAL HG2 H 0.900 0.009 2 2108 204 204 VAL C C 178.997 0.1 1 2109 204 204 VAL CA C 67.564 0.054 1 2110 204 204 VAL CB C 32.706 0.1 1 2111 204 204 VAL CG1 C 23.838 0.039 2 2112 204 204 VAL CG2 C 22.045 0.016 2 2113 204 204 VAL N N 120.550 0.062 1 2114 205 205 TRP H H 8.513 0.01 1 2115 205 205 TRP HA H 4.352 0.008 1 2116 205 205 TRP HB2 H 3.144 0.011 2 2117 205 205 TRP HB3 H 3.794 0.015 2 2118 205 205 TRP HD1 H 7.059 0.006 1 2119 205 205 TRP HE1 H 10.304 0.012 1 2120 205 205 TRP HZ2 H 7.493 0.007 1 2121 205 205 TRP HZ3 H 6.917 0.003 1 2122 205 205 TRP HH2 H 7.241 0.004 1 2123 205 205 TRP C C 177.240 0.1 1 2124 205 205 TRP CA C 62.278 0.081 1 2125 205 205 TRP CB C 29.951 0.08 1 2126 205 205 TRP CD1 C 127.793 0.042 1 2127 205 205 TRP CZ2 C 115.059 0.04 1 2128 205 205 TRP CZ3 C 123.204 0.056 1 2129 205 205 TRP CH2 C 125.837 0.07 1 2130 205 205 TRP N N 121.902 0.05 1 2131 205 205 TRP NE1 N 129.656 0.023 1 2132 206 206 PHE H H 8.905 0.008 1 2133 206 206 PHE HA H 3.788 0.003 1 2134 206 206 PHE HB2 H 3.109 0.011 2 2135 206 206 PHE HB3 H 3.184 0.015 2 2136 206 206 PHE HD1 H 7.156 0.007 3 2137 206 206 PHE HD2 H 7.156 0.007 3 2138 206 206 PHE HE1 H 7.248 0.006 3 2139 206 206 PHE HE2 H 7.248 0.006 3 2140 206 206 PHE HZ H 7.083 0.003 1 2141 206 206 PHE C C 179.211 0.1 1 2142 206 206 PHE CA C 61.625 0.088 1 2143 206 206 PHE CB C 39.404 0.052 1 2144 206 206 PHE CD1 C 132.039 0.056 3 2145 206 206 PHE CD2 C 132.039 0.056 3 2146 206 206 PHE CE1 C 132.067 0.069 3 2147 206 206 PHE CE2 C 132.067 0.069 3 2148 206 206 PHE CZ C 130.603 0.035 1 2149 206 206 PHE N N 118.282 0.023 1 2150 207 207 ASP H H 8.210 0.004 1 2151 207 207 ASP HA H 4.515 0.004 1 2152 207 207 ASP HB2 H 2.804 0.006 2 2153 207 207 ASP HB3 H 2.677 0.012 2 2154 207 207 ASP C C 177.724 0.03 1 2155 207 207 ASP CA C 57.258 0.082 1 2156 207 207 ASP CB C 41.621 0.07 1 2157 207 207 ASP N N 115.253 0.048 1 2158 208 208 ASN H H 7.808 0.005 1 2159 208 208 ASN HA H 5.064 0.007 1 2160 208 208 ASN HB2 H 2.635 0.009 2 2161 208 208 ASN HB3 H 2.590 0.003 2 2162 208 208 ASN C C 175.634 0.029 1 2163 208 208 ASN CA C 55.148 0.076 1 2164 208 208 ASN CB C 41.684 0.083 1 2165 208 208 ASN N N 114.664 0.051 1 2166 209 209 ARG H H 7.776 0.012 1 2167 209 209 ARG HA H 3.726 0.005 1 2168 209 209 ARG HB2 H 1.231 0.012 2 2169 209 209 ARG HB3 H 1.010 0.014 2 2170 209 209 ARG HG2 H 1.215 0.009 2 2171 209 209 ARG HG3 H 0.997 0.009 2 2172 209 209 ARG HD2 H 1.665 0.018 2 2173 209 209 ARG HD3 H 2.051 0.019 2 2174 209 209 ARG HE H 6.767 0.007 1 2175 209 209 ARG C C 176.265 0.1 1 2176 209 209 ARG CA C 59.963 0.088 1 2177 209 209 ARG CB C 29.421 0.072 1 2178 209 209 ARG CG C 25.637 0.031 1 2179 209 209 ARG CD C 43.894 0.07 1 2180 209 209 ARG CZ C 159.009 0.1 1 2181 209 209 ARG N N 117.549 0.037 1 2182 209 209 ARG NE N 85.453 0.019 1 2183 210 210 ASN H H 8.123 0.01 1 2184 210 210 ASN HA H 4.728 0.005 1 2185 210 210 ASN HB2 H 2.665 0.004 2 2186 210 210 ASN HB3 H 2.869 0.004 2 2187 210 210 ASN HD21 H 7.434 0.008 1 2188 210 210 ASN HD22 H 6.708 0.013 1 2189 210 210 ASN C C 174.273 0.02 1 2190 210 210 ASN CA C 54.589 0.067 1 2191 210 210 ASN CB C 39.652 0.076 1 2192 210 210 ASN CG C 177.227 0.0 1 2193 210 210 ASN N N 115.614 0.063 1 2194 210 210 ASN ND2 N 112.482 0.001 1 2195 211 211 ASP H H 7.844 0.006 1 2196 211 211 ASP HA H 5.150 0.006 1 2197 211 211 ASP HB2 H 2.428 0.006 2 2198 211 211 ASP HB3 H 2.962 0.005 2 2199 211 211 ASP CA C 51.911 0.041 1 2200 211 211 ASP CB C 43.618 0.066 1 2201 211 211 ASP N N 119.342 0.039 1 2202 212 212 PRO HA H 4.161 0.009 1 2203 212 212 PRO HB2 H 2.262 0.008 2 2204 212 212 PRO HB3 H 1.930 0.013 2 2205 212 212 PRO HG2 H 2.089 0.008 2 2206 212 212 PRO HG3 H 1.947 0.007 2 2207 212 212 PRO HD2 H 3.915 0.006 2 2208 212 212 PRO HD3 H 3.633 0.005 2 2209 212 212 PRO C C 178.416 0.1 1 2210 212 212 PRO CA C 66.423 0.075 1 2211 212 212 PRO CB C 33.324 0.056 1 2212 212 212 PRO CG C 28.335 0.071 1 2213 212 212 PRO CD C 51.525 0.059 1 2214 213 213 ASP H H 8.111 0.006 1 2215 213 213 ASP HA H 4.456 0.006 1 2216 213 213 ASP HB2 H 2.645 0.005 2 2217 213 213 ASP HB3 H 2.736 0.007 2 2218 213 213 ASP C C 179.522 0.002 1 2219 213 213 ASP CA C 58.722 0.101 1 2220 213 213 ASP CB C 41.220 0.088 1 2221 213 213 ASP N N 117.251 0.039 1 2222 214 214 MET H H 7.864 0.006 1 2223 214 214 MET HA H 4.414 0.006 1 2224 214 214 MET HB3 H 2.173 0.019 1 2225 214 214 MET HG2 H 2.714 0.005 2 2226 214 214 MET HG3 H 2.512 0.005 2 2227 214 214 MET C C 179.964 0.1 1 2228 214 214 MET CA C 58.241 0.057 1 2229 214 214 MET CB C 32.830 0.102 1 2230 214 214 MET CG C 33.819 0.058 1 2231 214 214 MET N N 120.848 0.041 1 2232 215 215 MET H H 8.799 0.008 1 2233 215 215 MET HA H 4.134 0.014 1 2234 215 215 MET HB2 H 2.261 0.01 2 2235 215 215 MET HB3 H 2.150 0.007 2 2236 215 215 MET HG2 H 2.835 0.007 2 2237 215 215 MET HG3 H 2.842 0.01 2 2238 215 215 MET HE H 2.031 0.004 1 2239 215 215 MET C C 177.817 0.032 1 2240 215 215 MET CA C 59.158 0.074 1 2241 215 215 MET CB C 33.004 0.062 1 2242 215 215 MET CG C 32.983 0.068 1 2243 215 215 MET CE C 18.881 0.049 1 2244 215 215 MET N N 121.783 0.037 1 2245 216 216 LYS H H 8.152 0.01 1 2246 216 216 LYS HA H 3.870 0.009 1 2247 216 216 LYS HB2 H 1.946 0.007 2 2248 216 216 LYS HB3 H 1.951 0.007 2 2249 216 216 LYS HG2 H 1.455 0.007 2 2250 216 216 LYS HG3 H 1.623 0.004 2 2251 216 216 LYS HD2 H 1.737 0.007 2 2252 216 216 LYS HD3 H 1.729 0.004 2 2253 216 216 LYS HE2 H 2.997 0.006 2 2254 216 216 LYS HE3 H 2.989 0.004 2 2255 216 216 LYS C C 179.274 0.005 1 2256 216 216 LYS CA C 61.456 0.067 1 2257 216 216 LYS CB C 33.322 0.056 1 2258 216 216 LYS CG C 26.224 0.059 1 2259 216 216 LYS CD C 30.557 0.056 1 2260 216 216 LYS CE C 43.137 0.008 1 2261 216 216 LYS N N 118.932 0.025 1 2262 217 217 ALA H H 7.488 0.005 1 2263 217 217 ALA HA H 4.194 0.007 1 2264 217 217 ALA HB H 1.513 0.009 1 2265 217 217 ALA C C 180.243 0.1 1 2266 217 217 ALA CA C 55.858 0.074 1 2267 217 217 ALA CB C 19.128 0.06 1 2268 217 217 ALA N N 121.624 0.048 1 2269 218 218 GLY H H 8.479 0.007 1 2270 218 218 GLY HA2 H 3.599 0.01 2 2271 218 218 GLY HA3 H 4.007 0.006 2 2272 218 218 GLY C C 177.028 0.1 1 2273 218 218 GLY CA C 48.127 0.068 1 2274 218 218 GLY N N 107.860 0.039 1 2275 219 219 ILE H H 8.681 0.007 1 2276 219 219 ILE HA H 3.651 0.011 1 2277 219 219 ILE HB H 1.858 0.006 1 2278 219 219 ILE HG12 H 0.642 0.007 2 2279 219 219 ILE HG13 H 1.856 0.005 2 2280 219 219 ILE HG2 H 0.861 0.011 1 2281 219 219 ILE HD1 H 0.766 0.005 1 2282 219 219 ILE C C 177.048 0.1 1 2283 219 219 ILE CA C 67.000 0.06 1 2284 219 219 ILE CB C 39.389 0.092 1 2285 219 219 ILE CG1 C 30.464 0.06 1 2286 219 219 ILE CG2 C 19.028 0.053 1 2287 219 219 ILE CD1 C 16.230 0.058 1 2288 219 219 ILE N N 124.166 0.034 1 2289 220 220 ALA H H 7.581 0.009 1 2290 220 220 ALA HA H 4.531 0.007 1 2291 220 220 ALA HB H 1.522 0.004 1 2292 220 220 ALA C C 181.024 0.1 1 2293 220 220 ALA CA C 56.049 0.084 1 2294 220 220 ALA CB C 18.816 0.063 1 2295 220 220 ALA N N 121.843 0.037 1 2296 221 221 ASP H H 8.002 0.007 1 2297 221 221 ASP HA H 4.409 0.006 1 2298 221 221 ASP HB2 H 2.721 0.015 2 2299 221 221 ASP HB3 H 2.840 0.003 2 2300 221 221 ASP C C 177.904 0.035 1 2301 221 221 ASP CA C 58.263 0.095 1 2302 221 221 ASP CB C 42.420 0.075 1 2303 221 221 ASP N N 117.613 0.033 1 2304 222 222 TRP H H 8.356 0.005 1 2305 222 222 TRP HA H 4.001 0.007 1 2306 222 222 TRP HB2 H 3.724 0.012 2 2307 222 222 TRP HB3 H 3.198 0.007 2 2308 222 222 TRP HD1 H 7.482 0.006 1 2309 222 222 TRP HE1 H 9.774 0.006 1 2310 222 222 TRP HZ2 H 6.036 0.004 1 2311 222 222 TRP HH2 H 5.957 0.004 1 2312 222 222 TRP C C 177.227 0.1 1 2313 222 222 TRP CA C 64.169 0.068 1 2314 222 222 TRP CB C 29.167 0.116 1 2315 222 222 TRP CD1 C 125.984 0.053 1 2316 222 222 TRP CZ2 C 113.753 0.024 1 2317 222 222 TRP CH2 C 125.699 0.086 1 2318 222 222 TRP N N 123.405 0.04 1 2319 222 222 TRP NE1 N 131.650 0.023 1 2320 223 223 GLN H H 8.647 0.007 1 2321 223 223 GLN HA H 3.107 0.007 1 2322 223 223 GLN HB2 H 1.869 0.009 2 2323 223 223 GLN HB3 H 2.357 0.005 2 2324 223 223 GLN HG2 H 2.177 0.009 2 2325 223 223 GLN HG3 H 2.949 0.005 2 2326 223 223 GLN C C 177.886 0.1 1 2327 223 223 GLN CA C 60.067 0.078 1 2328 223 223 GLN CB C 31.242 0.097 1 2329 223 223 GLN CG C 37.266 0.069 1 2330 223 223 GLN N N 116.454 0.035 1 2331 224 224 LYS H H 7.050 0.006 1 2332 224 224 LYS HA H 3.872 0.007 1 2333 224 224 LYS HB2 H 1.849 0.01 2 2334 224 224 LYS HB3 H 1.814 0.007 2 2335 224 224 LYS HG2 H 1.572 0.004 2 2336 224 224 LYS HG3 H 1.359 0.005 2 2337 224 224 LYS HD2 H 1.627 0.013 2 2338 224 224 LYS HD3 H 1.620 0.009 2 2339 224 224 LYS HE2 H 2.939 0.005 2 2340 224 224 LYS HE3 H 2.934 0.006 2 2341 224 224 LYS C C 177.946 0.1 1 2342 224 224 LYS CA C 58.912 0.071 1 2343 224 224 LYS CB C 33.504 0.055 1 2344 224 224 LYS CG C 26.063 0.069 1 2345 224 224 LYS CD C 30.103 0.062 1 2346 224 224 LYS CE C 43.215 0.02 1 2347 224 224 LYS N N 114.985 0.054 1 2348 225 225 ARG H H 7.397 0.004 1 2349 225 225 ARG HA H 3.812 0.007 1 2350 225 225 ARG HB2 H 1.646 0.006 2 2351 225 225 ARG HB3 H 1.278 0.005 2 2352 225 225 ARG HG2 H 1.148 0.004 2 2353 225 225 ARG HG3 H 1.622 0.007 2 2354 225 225 ARG HD2 H 3.204 0.007 2 2355 225 225 ARG HD3 H 3.102 0.007 2 2356 225 225 ARG HE H 7.196 0.002 1 2357 225 225 ARG C C 176.317 0.1 1 2358 225 225 ARG CA C 59.340 0.09 1 2359 225 225 ARG CB C 32.314 0.09 1 2360 225 225 ARG CG C 29.710 0.079 1 2361 225 225 ARG CD C 44.617 0.033 1 2362 225 225 ARG CZ C 160.327 0.1 1 2363 225 225 ARG N N 119.606 0.035 1 2364 225 225 ARG NE N 84.608 0.1 1 2365 226 226 TYR H H 7.253 0.007 1 2366 226 226 TYR HA H 4.566 0.006 1 2367 226 226 TYR HB2 H 1.438 0.005 2 2368 226 226 TYR HB3 H 2.559 0.009 2 2369 226 226 TYR HD1 H 6.731 0.006 3 2370 226 226 TYR HD2 H 6.731 0.006 3 2371 226 226 TYR HE1 H 6.824 0.003 3 2372 226 226 TYR HE2 H 6.824 0.003 3 2373 226 226 TYR CA C 56.814 0.042 1 2374 226 226 TYR CB C 38.594 0.058 1 2375 226 226 TYR CD1 C 135.489 0.096 3 2376 226 226 TYR CD2 C 135.489 0.096 3 2377 226 226 TYR CE1 C 118.059 0.054 3 2378 226 226 TYR CE2 C 118.059 0.054 3 2379 226 226 TYR N N 116.235 0.041 1 2380 227 227 PRO HA H 4.072 0.001 1 2381 227 227 PRO HB2 H 2.064 0.008 2 2382 227 227 PRO HB3 H 1.735 0.009 2 2383 227 227 PRO HG2 H 1.785 0.014 2 2384 227 227 PRO HG3 H 1.631 0.006 2 2385 227 227 PRO HD2 H 3.002 0.014 2 2386 227 227 PRO HD3 H 3.185 0.007 2 2387 227 227 PRO C C 177.305 0.1 1 2388 227 227 PRO CA C 65.593 0.073 1 2389 227 227 PRO CB C 32.679 0.088 1 2390 227 227 PRO CG C 28.035 0.066 1 2391 227 227 PRO CD C 50.527 0.06 1 2392 228 228 ASN H H 8.000 0.014 1 2393 228 228 ASN HA H 4.599 0.007 1 2394 228 228 ASN HB2 H 2.646 0.006 2 2395 228 228 ASN HB3 H 2.769 0.009 2 2396 228 228 ASN HD21 H 6.878 0.011 1 2397 228 228 ASN HD22 H 7.399 0.007 1 2398 228 228 ASN C C 175.450 0.001 1 2399 228 228 ASN CA C 53.335 0.082 1 2400 228 228 ASN CB C 39.381 0.117 1 2401 228 228 ASN CG C 177.687 0.1 1 2402 228 228 ASN N N 112.641 0.061 1 2403 228 228 ASN ND2 N 113.058 0.071 1 2404 229 229 ASN H H 7.673 0.005 1 2405 229 229 ASN HA H 4.396 0.008 1 2406 229 229 ASN HB2 H 2.531 0.008 2 2407 229 229 ASN HB3 H 2.265 0.008 2 2408 229 229 ASN CA C 53.644 0.09 1 2409 229 229 ASN CB C 41.125 0.082 1 2410 229 229 ASN N N 123.855 0.047 1 2411 230 230 PRO HA H 4.094 0.006 1 2412 230 230 PRO HB2 H 1.953 0.006 2 2413 230 230 PRO HB3 H 2.382 0.003 2 2414 230 230 PRO HG2 H 2.382 0.003 2 2415 230 230 PRO HG3 H 1.963 0.005 2 2416 230 230 PRO HD2 H 3.922 0.004 2 2417 230 230 PRO HD3 H 3.447 0.008 2 2418 230 230 PRO C C 178.591 0.1 1 2419 230 230 PRO CA C 67.209 0.054 1 2420 230 230 PRO CB C 33.948 0.095 1 2421 230 230 PRO CG C 29.394 0.049 1 2422 230 230 PRO CD C 52.157 0.111 1 2423 231 231 GLY H H 8.742 0.007 1 2424 231 231 GLY HA2 H 3.201 0.005 2 2425 231 231 GLY HA3 H 4.451 0.007 2 2426 231 231 GLY C C 172.525 0.1 1 2427 231 231 GLY CA C 46.336 0.095 1 2428 231 231 GLY N N 104.291 0.027 1 2429 232 232 ALA H H 7.535 0.005 1 2430 232 232 ALA HA H 4.155 0.012 1 2431 232 232 ALA HB H 1.073 0.005 1 2432 232 232 ALA C C 179.689 0.003 1 2433 232 232 ALA CA C 55.118 0.077 1 2434 232 232 ALA CB C 19.766 0.07 1 2435 232 232 ALA N N 118.719 0.04 1 2436 233 233 LYS H H 6.879 0.005 1 2437 233 233 LYS HA H 4.162 0.006 1 2438 233 233 LYS HB2 H 1.736 0.004 2 2439 233 233 LYS HB3 H 1.834 0.008 2 2440 233 233 LYS HG2 H 1.362 0.004 2 2441 233 233 LYS HG3 H 1.437 0.007 2 2442 233 233 LYS HD2 H 1.596 0.013 2 2443 233 233 LYS HD3 H 1.630 0.008 2 2444 233 233 LYS HE2 H 2.926 0.007 2 2445 233 233 LYS HE3 H 2.933 0.007 2 2446 233 233 LYS C C 176.575 0.024 1 2447 233 233 LYS CA C 57.944 0.064 1 2448 233 233 LYS CB C 34.491 0.05 1 2449 233 233 LYS CG C 26.059 0.047 1 2450 233 233 LYS CD C 30.069 0.065 1 2451 233 233 LYS CE C 43.150 0.064 1 2452 233 233 LYS N N 115.929 0.035 1 2453 234 234 MET H H 7.634 0.005 1 2454 234 234 MET HA H 4.312 0.005 1 2455 234 234 MET HB2 H 2.045 0.006 2 2456 234 234 MET HB3 H 1.788 0.007 2 2457 234 234 MET HG2 H 2.243 0.006 2 2458 234 234 MET HG3 H 2.376 0.005 2 2459 234 234 MET C C 171.407 0.1 1 2460 234 234 MET CA C 55.569 0.067 1 2461 234 234 MET CB C 35.334 0.068 1 2462 234 234 MET CG C 32.985 0.026 1 2463 234 234 MET CE C 17.670 0.1 1 2464 234 234 MET N N 123.511 0.035 1 2465 235 235 LEU H H 7.519 0.01 1 2466 235 235 LEU HA H 4.738 0.008 1 2467 235 235 LEU HB2 H 1.026 0.006 2 2468 235 235 LEU HB3 H 1.340 0.012 2 2469 235 235 LEU HG H 1.646 0.008 1 2470 235 235 LEU HD1 H 0.762 0.006 2 2471 235 235 LEU HD2 H 0.740 0.008 2 2472 235 235 LEU CA C 54.575 0.082 1 2473 235 235 LEU CB C 43.837 0.076 1 2474 235 235 LEU CD1 C 25.283 0.04 2 2475 235 235 LEU CD2 C 26.846 0.021 2 2476 235 235 LEU N N 121.946 0.05 1 2477 236 236 PRO HA H 4.512 0.016 1 2478 236 236 PRO HB2 H 2.265 0.007 2 2479 236 236 PRO HB3 H 2.436 0.01 2 2480 236 236 PRO C C 177.650 0.1 1 2481 236 236 PRO CA C 63.862 0.146 1 2482 236 236 PRO CB C 32.964 0.053 1 2483 236 236 PRO CG C 26.773 0.1 1 2484 236 236 PRO CD C 50.601 0.1 1 2485 237 237 THR H H 9.960 0.004 1 2486 237 237 THR HA H 3.622 0.004 1 2487 237 237 THR HB H 3.900 0.009 1 2488 237 237 THR HG2 H 1.207 0.005 1 2489 237 237 THR C C 177.136 0.1 1 2490 237 237 THR CA C 67.679 0.112 1 2491 237 237 THR CB C 69.522 0.069 1 2492 237 237 THR CG2 C 22.879 0.067 1 2493 237 237 THR N N 125.442 0.045 1 2494 238 238 GLN H H 9.722 0.013 1 2495 238 238 GLN HA H 3.922 0.005 1 2496 238 238 GLN HB2 H 1.635 0.004 2 2497 238 238 GLN HB3 H 2.122 0.005 2 2498 238 238 GLN HG2 H 2.609 0.006 2 2499 238 238 GLN HG3 H 2.399 0.015 2 2500 238 238 GLN HE21 H 7.408 0.008 1 2501 238 238 GLN HE22 H 6.911 0.009 1 2502 238 238 GLN C C 177.397 0.001 1 2503 238 238 GLN CA C 59.762 0.058 1 2504 238 238 GLN CB C 29.889 0.067 1 2505 238 238 GLN CG C 34.969 0.065 1 2506 238 238 GLN CD C 180.318 0.002 1 2507 238 238 GLN N N 118.428 0.036 1 2508 238 238 GLN NE2 N 109.913 0.001 1 2509 239 239 LEU H H 7.412 0.006 1 2510 239 239 LEU HA H 4.195 0.007 1 2511 239 239 LEU HB2 H 1.220 0.012 2 2512 239 239 LEU HB3 H 1.231 0.019 2 2513 239 239 LEU HG H 0.318 0.003 1 2514 239 239 LEU HD1 H -0.510 0.007 2 2515 239 239 LEU HD2 H 0.316 0.003 2 2516 239 239 LEU C C 176.896 0.003 1 2517 239 239 LEU CA C 55.460 0.071 1 2518 239 239 LEU CB C 43.077 0.117 1 2519 239 239 LEU CG C 27.376 0.059 1 2520 239 239 LEU CD1 C 25.303 0.036 2 2521 239 239 LEU CD2 C 22.530 0.016 2 2522 239 239 LEU N N 114.007 0.03 1 2523 240 240 VAL H H 7.313 0.006 1 2524 240 240 VAL HA H 3.677 0.008 1 2525 240 240 VAL HB H 2.035 0.006 1 2526 240 240 VAL HG1 H 0.866 0.005 2 2527 240 240 VAL HG2 H 0.895 0.007 2 2528 240 240 VAL C C 176.694 0.007 1 2529 240 240 VAL CA C 65.655 0.063 1 2530 240 240 VAL CB C 33.201 0.085 1 2531 240 240 VAL CG1 C 22.168 0.038 2 2532 240 240 VAL CG2 C 23.315 0.044 2 2533 240 240 VAL N N 119.023 0.036 1 2534 241 241 ASN H H 7.749 0.006 1 2535 241 241 ASN HA H 4.696 0.007 1 2536 241 241 ASN HB2 H 2.812 0.007 2 2537 241 241 ASN HB3 H 2.655 0.006 2 2538 241 241 ASN HD21 H 6.785 0.008 1 2539 241 241 ASN HD22 H 7.390 0.006 1 2540 241 241 ASN C C 175.353 0.009 1 2541 241 241 ASN CA C 54.228 0.06 1 2542 241 241 ASN CB C 39.541 0.047 1 2543 241 241 ASN CG C 177.022 0.03 1 2544 241 241 ASN N N 118.188 0.026 1 2545 241 241 ASN ND2 N 111.938 0.004 1 2546 242 242 VAL H H 7.497 0.006 1 2547 242 242 VAL HA H 3.927 0.004 1 2548 242 242 VAL HB H 2.091 0.005 1 2549 242 242 VAL HG1 H 0.905 0.006 2 2550 242 242 VAL HG2 H 0.980 0.004 2 2551 242 242 VAL C C 176.038 0.017 1 2552 242 242 VAL CA C 64.547 0.054 1 2553 242 242 VAL CB C 33.042 0.063 1 2554 242 242 VAL CG1 C 22.213 0.065 2 2555 242 242 VAL CG2 C 22.133 0.025 2 2556 242 242 VAL N N 119.604 0.037 1 2557 243 243 LYS H H 8.003 0.011 1 2558 243 243 LYS HA H 4.228 0.008 1 2559 243 243 LYS HB2 H 1.822 0.005 2 2560 243 243 LYS HB3 H 1.720 0.009 2 2561 243 243 LYS HG2 H 1.439 0.004 2 2562 243 243 LYS HG3 H 1.409 0.019 2 2563 243 243 LYS HD2 H 1.638 0.005 2 2564 243 243 LYS HD3 H 1.641 0.004 2 2565 243 243 LYS HE2 H 2.963 0.011 2 2566 243 243 LYS HE3 H 2.965 0.011 2 2567 243 243 LYS C C 175.957 0.02 1 2568 243 243 LYS CA C 57.473 0.056 1 2569 243 243 LYS CB C 34.154 0.084 1 2570 243 243 LYS CG C 25.876 0.071 1 2571 243 243 LYS CD C 30.087 0.054 1 2572 243 243 LYS CE C 43.120 0.078 1 2573 243 243 LYS N N 122.640 0.033 1 2574 244 244 ALA H H 7.909 0.011 1 2575 244 244 ALA HA H 4.245 0.009 1 2576 244 244 ALA HB H 1.314 0.005 1 2577 244 244 ALA C C 177.028 0.008 1 2578 244 244 ALA CA C 53.286 0.089 1 2579 244 244 ALA CB C 20.359 0.069 1 2580 244 244 ALA N N 122.727 0.04 1 2581 245 245 PHE H H 7.920 0.012 1 2582 245 245 PHE HA H 4.538 0.004 1 2583 245 245 PHE HB2 H 3.075 0.006 2 2584 245 245 PHE HB3 H 3.028 0.021 2 2585 245 245 PHE HD1 H 7.229 0.004 3 2586 245 245 PHE HD2 H 7.229 0.004 3 2587 245 245 PHE HE1 H 7.320 0.007 3 2588 245 245 PHE HE2 H 7.320 0.007 3 2589 245 245 PHE HZ H 7.282 0.004 1 2590 245 245 PHE C C 174.838 0.003 1 2591 245 245 PHE CA C 58.941 0.083 1 2592 245 245 PHE CB C 40.722 0.058 1 2593 245 245 PHE CD1 C 132.666 0.136 3 2594 245 245 PHE CD2 C 132.666 0.136 3 2595 245 245 PHE CE1 C 132.493 0.142 3 2596 245 245 PHE CE2 C 132.493 0.142 3 2597 245 245 PHE CZ C 130.800 0.09 1 2598 245 245 PHE N N 120.218 0.056 1 2599 246 246 LYS H H 7.860 0.009 1 2600 246 246 LYS HA H 4.532 0.005 1 2601 246 246 LYS HB2 H 1.716 0.007 2 2602 246 246 LYS HB3 H 1.605 0.008 2 2603 246 246 LYS HG2 H 1.328 0.01 2 2604 246 246 LYS HG3 H 1.352 0.011 2 2605 246 246 LYS HD2 H 1.629 0.005 2 2606 246 246 LYS HD3 H 1.652 0.004 2 2607 246 246 LYS HE2 H 2.979 0.004 2 2608 246 246 LYS HE3 H 2.938 0.003 2 2609 246 246 LYS CA C 54.371 0.148 1 2610 246 246 LYS CB C 34.202 0.03 1 2611 246 246 LYS CG C 25.723 0.03 1 2612 246 246 LYS CD C 30.346 0.074 1 2613 246 246 LYS CE C 43.349 0.084 1 2614 246 246 LYS N N 125.013 0.058 1 2615 247 247 PRO HA H 4.309 0.004 1 2616 247 247 PRO HB2 H 2.282 0.002 2 2617 247 247 PRO HB3 H 2.278 0.004 2 2618 247 247 PRO HG2 H 1.988 0.004 2 2619 247 247 PRO HG3 H 1.940 0.017 2 2620 247 247 PRO HD2 H 3.573 0.005 2 2621 247 247 PRO HD3 H 3.571 0.007 2 2622 247 247 PRO C C 176.409 0.014 1 2623 247 247 PRO CA C 63.933 0.07 1 2624 247 247 PRO CB C 33.118 0.064 1 2625 247 247 PRO CG C 28.204 0.066 1 2626 247 247 PRO CD C 51.620 0.039 1 2627 248 248 ALA H H 8.249 0.008 1 2628 248 248 ALA HA H 4.313 0.005 1 2629 248 248 ALA HB H 1.396 0.008 1 2630 248 248 ALA C C 177.563 0.011 1 2631 248 248 ALA CA C 53.491 0.085 1 2632 248 248 ALA CB C 20.390 0.051 1 2633 248 248 ALA N N 124.096 0.047 1 2634 249 249 SER H H 8.124 0.007 1 2635 249 249 SER HA H 4.473 0.005 1 2636 249 249 SER HB2 H 3.843 0.008 2 2637 249 249 SER HB3 H 3.871 0.004 2 2638 249 249 SER C C 173.840 0.017 1 2639 249 249 SER CA C 59.279 0.036 1 2640 249 249 SER CB C 65.058 0.031 1 2641 249 249 SER N N 114.889 0.037 1 2642 250 250 THR H H 7.685 0.004 1 2643 250 250 THR HA H 4.164 0.004 1 2644 250 250 THR HB H 4.222 0.003 1 2645 250 250 THR HG2 H 1.130 0.003 1 2646 250 250 THR CA C 64.075 0.025 1 2647 250 250 THR CB C 71.683 0.09 1 2648 250 250 THR CG2 C 22.954 0.08 1 2649 250 250 THR N N 120.090 0.061 1 stop_ save_