data_15290 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Solution structure of Saccharomyces cerevisiae conserved oligomeric Golgi subunit 2 protein (Cog2p) ; _BMRB_accession_number 15290 _BMRB_flat_file_name bmr15290.str _Entry_type original _Submission_date 2007-06-06 _Accession_date 2007-06-06 _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 Cavanaugh Lorraine F. . 2 Chen Xiaocheng . . 3 Pelczer Istvan . . 4 Rizo Josep . . 5 Hughson Frederick M. . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 1145 "13C chemical shifts" 846 "15N chemical shifts" 205 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2008-07-03 update BMRB 'complete entry citation' 2007-08-21 update author 'update chemical shifts' 2007-07-02 original author 'original release' stop_ save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title 'Structural analysis of Conserved Oligomeric Golgi complex subunit 2' _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 17565980 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Cavanaugh Lorraine F. . 2 Chen Xiaocheng . . 3 Richardson Brian C. . 4 Ungar Daniel . . 5 Pelczer Istvan . . 6 Rizo Josep . . 7 Hughson Frederick M. . stop_ _Journal_abbreviation 'J. Biol. Chem.' _Journal_name_full 'Journal of Biological Chemistry' _Journal_volume 282 _Journal_issue 32 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 23418 _Page_last 23426 _Year 2007 _Details . loop_ _Keyword Cog2 COG2 'COG complex' Golgi 'vesicle tethering' 'vesicular transport' stop_ save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name 'Cog2p monomer' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label 'Cog2p monomer' $Cog2p stop_ _System_molecular_weight . _System_physical_state native _System_oligomer_state ? _System_paramagnetic no _System_thiol_state . _Database_query_date . _Details . save_ ######################## # Monomeric polymers # ######################## save_Cog2p _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common Cog2p _Molecular_mass 23454.13 _Mol_thiol_state 'all free' loop_ _Biological_function 'ER-Golgi transport' 'intra-Golgi transport' 'vesicle tethering' 'vesicular transport' stop_ _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 204 _Mol_residue_sequence ; GSDSLIRDLSGLSQKMVQTL LEQIRSNYDDYLTFSNTYTD EENETLINLEKTQSDLQKFM TQLDHLIKDDISNTQEIIKD VLEYLKKLDEIYGSLRNHSQ LTEALSLGKRLSKSLHEMCG IEPLEEEICSGLIEQLYKLI TASRRILESCADSNSPYIHH LRNDYQDLLQEFQISLKILT EKCLENPSSLQNLSLTLVSI IKTA ; loop_ _Residue_seq_code _Residue_author_seq_code _Residue_label 1 -2 GLY 2 -1 SER 3 61 ASP 4 62 SER 5 63 LEU 6 64 ILE 7 65 ARG 8 66 ASP 9 67 LEU 10 68 SER 11 69 GLY 12 70 LEU 13 71 SER 14 72 GLN 15 73 LYS 16 74 MET 17 75 VAL 18 76 GLN 19 77 THR 20 78 LEU 21 79 LEU 22 80 GLU 23 81 GLN 24 82 ILE 25 83 ARG 26 84 SER 27 85 ASN 28 86 TYR 29 87 ASP 30 88 ASP 31 89 TYR 32 90 LEU 33 91 THR 34 92 PHE 35 93 SER 36 94 ASN 37 95 THR 38 96 TYR 39 97 THR 40 98 ASP 41 99 GLU 42 100 GLU 43 101 ASN 44 102 GLU 45 103 THR 46 104 LEU 47 105 ILE 48 106 ASN 49 107 LEU 50 108 GLU 51 109 LYS 52 110 THR 53 111 GLN 54 112 SER 55 113 ASP 56 114 LEU 57 115 GLN 58 116 LYS 59 117 PHE 60 118 MET 61 119 THR 62 120 GLN 63 121 LEU 64 122 ASP 65 123 HIS 66 124 LEU 67 125 ILE 68 126 LYS 69 127 ASP 70 128 ASP 71 129 ILE 72 130 SER 73 131 ASN 74 132 THR 75 133 GLN 76 134 GLU 77 135 ILE 78 136 ILE 79 137 LYS 80 138 ASP 81 139 VAL 82 140 LEU 83 141 GLU 84 142 TYR 85 143 LEU 86 144 LYS 87 145 LYS 88 146 LEU 89 147 ASP 90 148 GLU 91 149 ILE 92 150 TYR 93 151 GLY 94 152 SER 95 153 LEU 96 154 ARG 97 155 ASN 98 156 HIS 99 157 SER 100 158 GLN 101 159 LEU 102 160 THR 103 161 GLU 104 162 ALA 105 163 LEU 106 164 SER 107 165 LEU 108 166 GLY 109 167 LYS 110 168 ARG 111 169 LEU 112 170 SER 113 171 LYS 114 172 SER 115 173 LEU 116 174 HIS 117 175 GLU 118 176 MET 119 177 CYS 120 178 GLY 121 179 ILE 122 180 GLU 123 181 PRO 124 182 LEU 125 183 GLU 126 184 GLU 127 185 GLU 128 186 ILE 129 187 CYS 130 188 SER 131 189 GLY 132 190 LEU 133 191 ILE 134 192 GLU 135 193 GLN 136 194 LEU 137 195 TYR 138 196 LYS 139 197 LEU 140 198 ILE 141 199 THR 142 200 ALA 143 201 SER 144 202 ARG 145 203 ARG 146 204 ILE 147 205 LEU 148 206 GLU 149 207 SER 150 208 CYS 151 209 ALA 152 210 ASP 153 211 SER 154 212 ASN 155 213 SER 156 214 PRO 157 215 TYR 158 216 ILE 159 217 HIS 160 218 HIS 161 219 LEU 162 220 ARG 163 221 ASN 164 222 ASP 165 223 TYR 166 224 GLN 167 225 ASP 168 226 LEU 169 227 LEU 170 228 GLN 171 229 GLU 172 230 PHE 173 231 GLN 174 232 ILE 175 233 SER 176 234 LEU 177 235 LYS 178 236 ILE 179 237 LEU 180 238 THR 181 239 GLU 182 240 LYS 183 241 CYS 184 242 LEU 185 243 GLU 186 244 ASN 187 245 PRO 188 246 SER 189 247 SER 190 248 LEU 191 249 GLN 192 250 ASN 193 251 LEU 194 252 SER 195 253 LEU 196 254 THR 197 255 LEU 198 256 VAL 199 257 SER 200 258 ILE 201 259 ILE 202 260 LYS 203 261 THR 204 262 ALA stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2015-10-21 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 2JQQ "Solution Structure Of Saccharomyces Cerevisiae Conserved Oligomeric Golgi Subunit 2 Protein (Cog2p)" 100.00 204 100.00 100.00 7.36e-141 DBJ GAA23495 "K7_Cog2p [Saccharomyces cerevisiae Kyokai no. 7]" 99.02 262 99.50 100.00 4.07e-138 EMBL CAA58155 "G6324 [Saccharomyces cerevisiae]" 99.02 275 100.00 100.00 2.62e-138 EMBL CAA97130 "unnamed protein product [Saccharomyces cerevisiae]" 99.02 275 100.00 100.00 2.62e-138 EMBL CAY79877 "Cog2p [Saccharomyces cerevisiae EC1118]" 99.02 262 100.00 100.00 2.16e-138 GB AJP38895 "Cog2p [Saccharomyces cerevisiae YJM1078]" 99.02 262 100.00 100.00 2.16e-138 GB AJR76215 "Cog2p [Saccharomyces cerevisiae YJM189]" 99.02 262 99.50 100.00 4.69e-138 GB AJR76714 "Cog2p [Saccharomyces cerevisiae YJM193]" 99.02 262 100.00 100.00 2.16e-138 GB AJR77212 "Cog2p [Saccharomyces cerevisiae YJM195]" 99.02 262 99.50 100.00 4.07e-138 GB AJR77712 "Cog2p [Saccharomyces cerevisiae YJM244]" 99.02 262 99.50 100.00 4.69e-138 REF NP_011635 "Golgi transport complex subunit COG2 [Saccharomyces cerevisiae S288c]" 99.02 262 100.00 100.00 2.16e-138 SP P53271 "RecName: Full=Conserved oligomeric Golgi complex subunit 2; Short=COG complex subunit 2; AltName: Full=Component of oligomeric " 99.02 262 100.00 100.00 2.16e-138 TPG DAA08212 "TPA: Golgi transport complex subunit COG2 [Saccharomyces cerevisiae S288c]" 99.02 262 100.00 100.00 2.16e-138 stop_ save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species _Gene_mnemonic $Cog2p 'baker's yeast' 4932 Eukaryota Fungi Saccharomyces cerevisiae COG2 stop_ save_ ######################### # Experimental source # ######################### save_experimental_source _Saveframe_category experimental_source loop_ _Mol_label _Production_method _Host_organism_name_common _Genus _Species _Strain _Vector_name $Cog2p 'recombinant technology' . Escherichia coli . pGEX-4T1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_H2O_Sample _Saveframe_category sample _Sample_type solution _Details 'Primary sample' loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $Cog2p 1 mM '[U-100% 13C; U-100% 15N]' TRIS 3 mM 'natural abundance' EDTA 50 uM 'natural abundance' 'sodium chloride' 10 mM 'natural abundance' 'sodium azide' 0.0025 % 'natural abundance' stop_ save_ save_D2O_Sample _Saveframe_category sample _Sample_type solution _Details 'same as for sample 1, but with D2O as solvent system' loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $Cog2p 1 mM '[U-100% 13C; U-100% 15N]' TRIS 3 mM 'natural abundance' EDTA 50 uM 'natural abundance' 'sodium chloride' 10 mM 'natural abundance' 'sodium azide' 0.0025 % 'natural abundance' stop_ save_ save_10%_13C _Saveframe_category sample _Sample_type solution _Details 'To determine stereospecificity of leucine side chains' loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $Cog2p 1 mM '[U-10% 13C; U-100% 15N]' TRIS 3 mM 'natural abundance' EDTA 50 uM 'natural abundance' 'sodium chloride' 10 mM 'natural abundance' 'sodium azide' 0.0025 % 'natural abundance' stop_ save_ ############################ # Computer software used # ############################ save_CNS _Saveframe_category software _Name CNS _Version 1.1 loop_ _Vendor _Address _Electronic_address 'A Brunger, P Adams, M Clore, P Gros, M Nilges and R Read' . . stop_ loop_ _Task refinement 'structure solution' stop_ _Details . save_ save_NMRPipe _Saveframe_category software _Name NMRPipe _Version . loop_ _Vendor _Address _Electronic_address 'F Delaglio, S Grzesiek, GW Vuister, G Zhu, J Pfeifer and A Bax' . . stop_ loop_ _Task processing stop_ _Details . save_ save_AQUA _Saveframe_category software _Name AQUA _Version . loop_ _Vendor _Address _Electronic_address 'T Rullmann, JF Doreleijers and R Kaptein' . . stop_ loop_ _Task refinement stop_ _Details . save_ save_NMRView _Saveframe_category software _Name NMRView _Version . loop_ _Vendor _Address _Electronic_address 'B Johnson, One Moon Scientific' . . stop_ loop_ _Task 'chemical shift assignment' 'data analysis' 'peak picking' stop_ _Details . save_ save_TALOS _Saveframe_category software _Name TALOS _Version . loop_ _Vendor _Address _Electronic_address 'G Cornilescu, F Delaglio and A Bax' . . stop_ loop_ _Task 'geometry optimization' stop_ _Details . save_ save_xwinnmr _Saveframe_category software _Name xwinnmr _Version . loop_ _Vendor _Address _Electronic_address 'Bruker Biospin' . . stop_ loop_ _Task collection stop_ _Details . save_ save_ProcheckNMR _Saveframe_category software _Name ProcheckNMR _Version . loop_ _Vendor _Address _Electronic_address 'RA Laskowski and M MacArthur' . . stop_ loop_ _Task refinement stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Varian _Model INOVA _Field_strength 800 _Details . save_ save_spectrometer_2 _Saveframe_category NMR_spectrometer _Manufacturer Varian _Model INOVA _Field_strength 750 _Details . save_ save_spectrometer_3 _Saveframe_category NMR_spectrometer _Manufacturer Varian _Model INOVA _Field_strength 600 _Details . save_ ############################# # NMR applied experiments # ############################# save_3D_HNCO_1 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCO' _Sample_label $H2O_Sample save_ save_3D_HNCACB_2 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCACB' _Sample_label $H2O_Sample save_ save_3D_CBCA(CO)NH_3 _Saveframe_category NMR_applied_experiment _Experiment_name '3D CBCA(CO)NH' _Sample_label $H2O_Sample save_ save_2D_DQF-COSY_4 _Saveframe_category NMR_applied_experiment _Experiment_name '2D DQF-COSY' _Sample_label $D2O_Sample save_ save_2D_1H-15N_HSQC_5 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N HSQC' _Sample_label $H2O_Sample save_ save_3D_HCCH-TOCSY_6 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HCCH-TOCSY' _Sample_label $H2O_Sample save_ save_3D_C(CO)NH_7 _Saveframe_category NMR_applied_experiment _Experiment_name '3D C(CO)NH' _Sample_label $H2O_Sample save_ save_3D_1H-15N_NOESY_8 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-15N NOESY' _Sample_label $H2O_Sample save_ save_3D_1H-13C_NOESY_9 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-13C NOESY' _Sample_label $H2O_Sample save_ save_2D_1H-13C_CT-HSQC_10 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-13C CT-HSQC' _Sample_label $10%_13C save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Saveframe_category sample_conditions _Details 'All samples were run with these conditions.' loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units 'ionic strength' 0.01 . M pH 7 . pH pressure 1 . atm temperature 303 . 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 external indirect . . . 0.25146 DSS H 1 'methyl protons' ppm 0.00 external direct . . . 1.00000 DSS N 15 'methyl protons' ppm 0.00 external indirect . . . 0.10134 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chem_shift_list_1 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Software_label $NMRPipe $NMRView stop_ loop_ _Experiment_label '3D HNCO' '3D HNCACB' '3D CBCA(CO)NH' '2D DQF-COSY' '3D HCCH-TOCSY' '3D C(CO)NH' '2D 1H-13C CT-HSQC' stop_ loop_ _Sample_label $H2O_Sample $D2O_Sample $10%_13C stop_ _Sample_conditions_label $sample_conditions_1 _Chem_shift_reference_set_label $chemical_shift_reference_1 _Mol_system_component_name 'Cog2p monomer' _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 61 3 ASP H H 8.53 0.03 1 2 61 3 ASP HA H 4.62 0.03 1 3 61 3 ASP HB2 H 2.68 0.03 2 4 61 3 ASP HB3 H 2.68 0.03 2 5 61 3 ASP C C 174.49 0.3 1 6 61 3 ASP CA C 55.04 0.3 1 7 61 3 ASP CB C 41.5 0.3 1 8 61 3 ASP N N 122.14 0.3 1 9 62 4 SER H H 8.13 0.03 1 10 62 4 SER HA H 4.38 0.03 1 11 62 4 SER HB2 H 3.85 0.03 2 12 62 4 SER HB3 H 3.85 0.03 2 13 62 4 SER C C 176.51 0.3 1 14 62 4 SER CA C 59.2 0.3 1 15 62 4 SER CB C 64.2 0.3 1 16 62 4 SER N N 115.49 0.3 1 17 63 5 LEU H H 8.16 0.03 1 18 63 5 LEU HA H 4.3 0.03 1 19 63 5 LEU HB2 H 1.59 0.03 2 20 63 5 LEU HB3 H 1.66 0.03 2 21 63 5 LEU HD1 H 0.9 0.03 2 22 63 5 LEU HD2 H 0.85 0.03 2 23 63 5 LEU HG H 1.61 0.03 1 24 63 5 LEU C C 174.65 0.3 1 25 63 5 LEU CA C 56.2 0.3 1 26 63 5 LEU CB C 42.7 0.3 1 27 63 5 LEU CD1 C 25.4 0.3 1 28 63 5 LEU CD2 C 24.3 0.3 1 29 63 5 LEU CG C 27.7 0.3 1 30 63 5 LEU N N 123.75 0.3 1 31 64 6 ILE H H 7.93 0.03 1 32 64 6 ILE HA H 4.07 0.03 1 33 64 6 ILE HB H 1.85 0.03 1 34 64 6 ILE HD1 H 0.83 0.03 1 35 64 6 ILE HG12 H 1.17 0.03 1 36 64 6 ILE HG13 H 1.46 0.03 1 37 64 6 ILE HG2 H 0.85 0.03 1 38 64 6 ILE C C 177.38 0.3 1 39 64 6 ILE CA C 61.9 0.3 1 40 64 6 ILE CB C 38.7 0.3 1 41 64 6 ILE CD1 C 13.3 0.3 1 42 64 6 ILE CG1 C 27.8 0.3 1 43 64 6 ILE CG2 C 17.8 0.3 1 44 64 6 ILE N N 119.86 0.3 1 45 65 7 ARG H H 8.14 0.03 1 46 65 7 ARG HA H 4.25 0.03 1 47 65 7 ARG HB2 H 1.74 0.03 2 48 65 7 ARG HB3 H 1.8 0.03 2 49 65 7 ARG HD2 H 3.16 0.03 2 50 65 7 ARG HD3 H 3.16 0.03 2 51 65 7 ARG HG2 H 1.61 0.03 2 52 65 7 ARG HG3 H 1.57 0.03 2 53 65 7 ARG C C 176.36 0.3 1 54 65 7 ARG CA C 56.9 0.3 1 55 65 7 ARG CB C 31.2 0.3 1 56 65 7 ARG CD C 43.6 0.3 1 57 65 7 ARG CG C 27.5 0.3 1 58 65 7 ARG N N 124.19 0.3 1 59 66 8 ASP H H 8.18 0.03 1 60 66 8 ASP HA H 4.6 0.03 1 61 66 8 ASP HB2 H 2.65 0.03 2 62 66 8 ASP HB3 H 2.75 0.03 2 63 66 8 ASP C C 175.94 0.3 1 64 66 8 ASP CA C 54.9 0.3 1 65 66 8 ASP CB C 41.5 0.3 1 66 66 8 ASP N N 120.77 0.3 1 67 67 9 LEU H H 8.35 0.03 1 68 67 9 LEU HA H 4.31 0.03 1 69 67 9 LEU HB2 H 1.66 0.03 2 70 67 9 LEU HB3 H 1.66 0.03 2 71 67 9 LEU HD1 H 0.82 0.03 2 72 67 9 LEU HD2 H 0.79 0.03 2 73 67 9 LEU HG H 1.65 0.03 1 74 67 9 LEU C C 176.76 0.3 1 75 67 9 LEU CA C 56.0 0.3 1 76 67 9 LEU CB C 42.1 0.3 1 77 67 9 LEU CD1 C 26.0 0.3 1 78 67 9 LEU CD2 C 23.7 0.3 1 79 67 9 LEU CG C 27.3 0.3 1 80 67 9 LEU N N 123.85 0.3 1 81 68 10 SER H H 8.25 0.03 1 82 68 10 SER HA H 4.22 0.03 1 83 68 10 SER HB2 H 3.91 0.03 2 84 68 10 SER HB3 H 3.91 0.03 2 85 68 10 SER C C 177.84 0.3 1 86 68 10 SER CA C 60.6 0.3 1 87 68 10 SER CB C 63.9 0.3 1 88 68 10 SER N N 115.34 0.3 1 89 69 11 GLY H H 8.25 0.03 1 90 69 11 GLY HA2 H 4.01 0.03 2 91 69 11 GLY HA3 H 3.83 0.03 2 92 69 11 GLY C C 175.37 0.3 1 93 69 11 GLY CA C 45.8 0.3 1 94 69 11 GLY N N 109.85 0.3 1 95 70 12 LEU H H 7.68 0.03 1 96 70 12 LEU HA H 4.38 0.03 1 97 70 12 LEU HB2 H 1.67 0.03 2 98 70 12 LEU HB3 H 1.45 0.03 2 99 70 12 LEU HD1 H 0.81 0.03 2 100 70 12 LEU HD2 H 0.83 0.03 2 101 70 12 LEU HG H 1.66 0.03 1 102 70 12 LEU C C 174.62 0.3 1 103 70 12 LEU CA C 55.6 0.3 1 104 70 12 LEU CB C 43.1 0.3 1 105 70 12 LEU CD1 C 24.3 0.3 1 106 70 12 LEU CD2 C 26.0 0.3 1 107 70 12 LEU CG C 27.3 0.3 1 108 70 12 LEU N N 121.55 0.3 1 109 71 13 SER H H 8.06 0.03 1 110 71 13 SER CB C 65.16 0.3 1 111 71 13 SER N N 118.09 0.3 1 112 73 15 LYS H H 8.17 0.03 1 113 73 15 LYS HA H 4.12 0.03 1 114 73 15 LYS HB2 H 1.78 0.03 2 115 73 15 LYS HB3 H 1.84 0.03 2 116 73 15 LYS HD2 H 1.71 0.03 2 117 73 15 LYS HD3 H 1.71 0.03 2 118 73 15 LYS HE2 H 2.96 0.03 2 119 73 15 LYS HE3 H 2.96 0.03 2 120 73 15 LYS HG2 H 1.44 0.03 2 121 73 15 LYS HG3 H 1.44 0.03 2 122 73 15 LYS C C 178.44 0.3 1 123 73 15 LYS CA C 59.1 0.3 1 124 73 15 LYS CB C 32.5 0.3 1 125 73 15 LYS CD C 29.3 0.3 1 126 73 15 LYS CE C 41.7 0.3 1 127 73 15 LYS CG C 25.3 0.3 1 128 73 15 LYS N N 118.56 0.3 1 129 74 16 MET H H 7.82 0.03 1 130 74 16 MET HE H 2.11 0.03 1 131 74 16 MET C C 179.05 0.3 1 132 74 16 MET CE C 17.5 0.3 1 133 74 16 MET N N 120.4 0.3 1 134 75 17 VAL H H 8.11 0.03 1 135 75 17 VAL HA H 3.47 0.03 1 136 75 17 VAL HB H 2.2 0.03 1 137 75 17 VAL HG1 H 0.88 0.03 2 138 75 17 VAL HG2 H 0.98 0.03 2 139 75 17 VAL CA C 68.0 0.3 1 140 75 17 VAL CB C 32.2 0.3 1 141 75 17 VAL CG1 C 21.7 0.3 1 142 75 17 VAL CG2 C 24.2 0.3 1 143 75 17 VAL N N 119.03 0.3 1 144 76 18 GLN H H 8.1 0.03 1 145 76 18 GLN HA H 3.84 0.03 1 146 76 18 GLN HB2 H 2.18 0.03 2 147 76 18 GLN HB3 H 2.18 0.03 2 148 76 18 GLN HE21 H 7.57 0.03 2 149 76 18 GLN HE22 H 6.64 0.03 2 150 76 18 GLN HG2 H 2.37 0.03 2 151 76 18 GLN HG3 H 2.37 0.03 2 152 76 18 GLN C C 177.32 0.3 1 153 76 18 GLN CA C 60.0 0.3 1 154 76 18 GLN CB C 28.6 0.3 1 155 76 18 GLN CG C 34.1 0.3 1 156 76 18 GLN N N 118.12 0.3 1 157 76 18 GLN NE2 N 111.38 0.3 1 158 77 19 THR H H 7.97 0.03 1 159 77 19 THR HA H 4.34 0.03 1 160 77 19 THR HB H 3.94 0.03 1 161 77 19 THR HG2 H 1.24 0.03 1 162 77 19 THR CA C 67.1 0.3 1 163 77 19 THR CB C 69.4 0.3 1 164 77 19 THR CG2 C 21.9 0.3 1 165 77 19 THR N N 115.28 0.3 1 166 78 20 LEU H H 8.04 0.03 1 167 78 20 LEU HA H 4.06 0.03 1 168 78 20 LEU HB2 H 1.98 0.03 2 169 78 20 LEU HB3 H 1.37 0.03 2 170 78 20 LEU HD1 H 0.78 0.03 2 171 78 20 LEU HD2 H 0.83 0.03 2 172 78 20 LEU HG H 1.8 0.03 1 173 78 20 LEU C C 176.75 0.3 1 174 78 20 LEU CA C 58.6 0.3 1 175 78 20 LEU CB C 42.3 0.3 1 176 78 20 LEU CD1 C 24.2 0.3 1 177 78 20 LEU CD2 C 23.1 0.3 1 178 78 20 LEU CG C 27.3 0.3 1 179 78 20 LEU N N 123.02 0.3 1 180 79 21 LEU H H 8.36 0.03 1 181 79 21 LEU HA H 3.96 0.03 1 182 79 21 LEU HB2 H 1.99 0.03 2 183 79 21 LEU HB3 H 1.99 0.03 2 184 79 21 LEU HD1 H 0.87 0.03 2 185 79 21 LEU HD2 H 0.91 0.03 2 186 79 21 LEU HG H 1.32 0.03 1 187 79 21 LEU CA C 58.6 0.3 1 188 79 21 LEU CB C 42.1 0.3 1 189 79 21 LEU CD1 C 24.2 0.3 1 190 79 21 LEU CD2 C 26.5 0.3 1 191 79 21 LEU CG C 26.2 0.3 1 192 79 21 LEU N N 119.51 0.3 1 193 80 22 GLU H H 8.21 0.03 1 194 80 22 GLU C C 178.93 0.3 1 195 80 22 GLU N N 118.33 0.3 1 196 81 23 GLN H H 7.84 0.03 1 197 81 23 GLN HA H 4.01 0.03 1 198 81 23 GLN HB2 H 2.24 0.03 2 199 81 23 GLN HB3 H 2.19 0.03 2 200 81 23 GLN HE21 H 7.24 0.03 2 201 81 23 GLN HE22 H 6.73 0.03 2 202 81 23 GLN HG2 H 2.33 0.03 2 203 81 23 GLN HG3 H 2.5 0.03 2 204 81 23 GLN CA C 59.0 0.3 1 205 81 23 GLN CB C 28.6 0.3 1 206 81 23 GLN CG C 34.3 0.3 1 207 81 23 GLN N N 120.21 0.3 1 208 81 23 GLN NE2 N 110.33 0.3 1 209 84 26 SER H H 7.72 0.03 1 210 84 26 SER HA H 4.24 0.03 1 211 84 26 SER HB2 H 3.92 0.03 2 212 84 26 SER HB3 H 3.96 0.03 2 213 84 26 SER C C 177.7 0.3 1 214 84 26 SER CA C 60.6 0.3 1 215 84 26 SER CB C 64.3 0.3 1 216 84 26 SER N N 113.1 0.3 1 217 85 27 ASN H H 7.66 0.03 1 218 85 27 ASN HA H 4.85 0.03 1 219 85 27 ASN HB2 H 2.83 0.03 2 220 85 27 ASN HB3 H 2.62 0.03 2 221 85 27 ASN HD21 H 7.48 0.03 2 222 85 27 ASN HD22 H 6.89 0.03 2 223 85 27 ASN C C 174.6 0.3 1 224 85 27 ASN CA C 53.6 0.3 1 225 85 27 ASN CB C 38.4 0.3 1 226 85 27 ASN N N 119.38 0.3 1 227 85 27 ASN ND2 N 112.7 0.3 1 228 86 28 TYR H H 8.09 0.03 1 229 86 28 TYR HA H 4.37 0.03 1 230 86 28 TYR HB2 H 3.01 0.03 2 231 86 28 TYR HB3 H 2.95 0.03 2 232 86 28 TYR HD1 H 7.08 0.03 3 233 86 28 TYR HD2 H 7.08 0.03 3 234 86 28 TYR HE1 H 6.75 0.03 3 235 86 28 TYR HE2 H 6.75 0.03 3 236 86 28 TYR CB C 39.1 0.3 1 237 86 28 TYR CD1 C 133.18 0.3 3 238 86 28 TYR CD2 C 135.38 0.3 3 239 86 28 TYR CE1 C 118.18 0.3 3 240 86 28 TYR CE2 C 118.18 0.3 3 241 86 28 TYR N N 121.8 0.3 1 242 89 31 TYR H H 7.74 0.03 1 243 89 31 TYR HA H 4.54 0.03 1 244 89 31 TYR HB2 H 3.06 0.03 2 245 89 31 TYR HB3 H 2.82 0.03 2 246 89 31 TYR HD1 H 7.14 0.03 3 247 89 31 TYR HD2 H 7.14 0.03 3 248 89 31 TYR HE1 H 6.78 0.03 3 249 89 31 TYR HE2 H 6.78 0.03 3 250 89 31 TYR CA C 59.6 0.3 1 251 89 31 TYR CB C 39.5 0.3 1 252 89 31 TYR CD1 C 133.38 0.3 3 253 89 31 TYR CD2 C 133.38 0.3 3 254 89 31 TYR CE1 C 118.18 0.3 3 255 89 31 TYR CE2 C 118.18 0.3 3 256 89 31 TYR N N 117.7 0.3 1 257 92 34 PHE H H 8.0 0.03 1 258 92 34 PHE HA H 4.6 0.03 1 259 92 34 PHE HB2 H 3.35 0.03 2 260 92 34 PHE HB3 H 3.07 0.03 2 261 92 34 PHE HD1 H 7.33 0.03 3 262 92 34 PHE HD2 H 7.33 0.03 3 263 92 34 PHE HE1 H 7.24 0.03 3 264 92 34 PHE HE2 H 7.24 0.03 3 265 92 34 PHE HZ H 7.04 0.03 1 266 92 34 PHE C C 174.84 0.3 1 267 92 34 PHE CA C 58.9 0.3 1 268 92 34 PHE CB C 38.7 0.3 1 269 92 34 PHE CD1 C 132.38 0.3 3 270 92 34 PHE CD2 C 132.38 0.3 3 271 92 34 PHE CE1 C 130.98 0.3 3 272 92 34 PHE CE2 C 130.98 0.3 3 273 92 34 PHE CZ C 128.88 0.3 1 274 92 34 PHE N N 119.4 0.3 1 275 93 35 SER H H 8.21 0.03 1 276 93 35 SER HA H 4.42 0.03 1 277 93 35 SER HB2 H 3.83 0.03 2 278 93 35 SER HB3 H 3.83 0.03 2 279 93 35 SER C C 175.9 0.3 1 280 93 35 SER CA C 58.7 0.3 1 281 93 35 SER CB C 64.3 0.3 1 282 93 35 SER N N 114.8 0.3 1 283 94 36 ASN H H 8.42 0.03 1 284 94 36 ASN HA H 4.78 0.03 1 285 94 36 ASN HB2 H 2.77 0.03 2 286 94 36 ASN HB3 H 2.77 0.03 2 287 94 36 ASN HD21 H 7.67 0.03 2 288 94 36 ASN HD22 H 7.0 0.03 2 289 94 36 ASN C C 174.53 0.3 1 290 94 36 ASN CA C 53.7 0.3 1 291 94 36 ASN CB C 39.6 0.3 1 292 94 36 ASN N N 120.7 0.3 1 293 94 36 ASN ND2 N 112.52 0.3 1 294 95 37 THR H H 8.04 0.03 1 295 95 37 THR HA H 4.29 0.03 1 296 95 37 THR HB H 4.17 0.03 1 297 95 37 THR HG2 H 1.14 0.03 1 298 95 37 THR C C 175.21 0.3 1 299 95 37 THR CA C 62.3 0.3 1 300 95 37 THR CB C 70.2 0.3 1 301 95 37 THR CG2 C 22.2 0.3 1 302 95 37 THR N N 114.11 0.3 1 303 96 38 TYR H H 8.19 0.03 1 304 96 38 TYR HA H 4.67 0.03 1 305 96 38 TYR HB2 H 3.1 0.03 2 306 96 38 TYR HB3 H 2.94 0.03 2 307 96 38 TYR HD1 H 7.11 0.03 3 308 96 38 TYR HD2 H 7.11 0.03 3 309 96 38 TYR HE1 H 6.79 0.03 3 310 96 38 TYR HE2 H 6.79 0.03 3 311 96 38 TYR C C 174.29 0.3 1 312 96 38 TYR CA C 58.4 0.3 1 313 96 38 TYR CB C 39.3 0.3 1 314 96 38 TYR CD1 C 133.38 0.3 3 315 96 38 TYR CD2 C 133.38 0.3 3 316 96 38 TYR CE1 C 118.38 0.3 3 317 96 38 TYR CE2 C 118.38 0.3 3 318 96 38 TYR N N 122.33 0.3 1 319 97 39 THR H H 8.12 0.03 1 320 97 39 THR HA H 4.37 0.03 1 321 97 39 THR HB H 4.28 0.03 1 322 97 39 THR HG2 H 1.18 0.03 1 323 97 39 THR C C 176.0 0.3 1 324 97 39 THR CA C 62.0 0.3 1 325 97 39 THR CB C 70.6 0.3 1 326 97 39 THR CG2 C 21.9 0.3 1 327 97 39 THR N N 115.1 0.3 1 328 98 40 ASP H H 8.33 0.03 1 329 98 40 ASP HA H 4.38 0.03 1 330 98 40 ASP HB2 H 2.65 0.03 2 331 98 40 ASP HB3 H 2.76 0.03 2 332 98 40 ASP C C 174.21 0.3 1 333 98 40 ASP CA C 55.5 0.3 1 334 98 40 ASP CB C 41.6 0.3 1 335 98 40 ASP N N 122.26 0.3 1 336 99 41 GLU H H 8.34 0.03 1 337 99 41 GLU HA H 4.22 0.03 1 338 99 41 GLU HB2 H 2.06 0.03 2 339 99 41 GLU HB3 H 1.96 0.03 2 340 99 41 GLU HG2 H 2.27 0.03 2 341 99 41 GLU HG3 H 2.27 0.03 2 342 99 41 GLU C C 176.7 0.3 1 343 99 41 GLU CA C 57.9 0.3 1 344 99 41 GLU CB C 30.6 0.3 1 345 99 41 GLU CG C 36.3 0.3 1 346 99 41 GLU N N 120.7 0.3 1 347 100 42 GLU H H 8.3 0.03 1 348 100 42 GLU HA H 4.22 0.03 1 349 100 42 GLU HB2 H 2.04 0.03 2 350 100 42 GLU HB3 H 2.04 0.03 2 351 100 42 GLU HG2 H 2.27 0.03 2 352 100 42 GLU HG3 H 2.27 0.03 2 353 100 42 GLU C C 177.22 0.3 1 354 100 42 GLU CA C 57.9 0.3 1 355 100 42 GLU CB C 30.5 0.3 1 356 100 42 GLU CG C 36.4 0.3 1 357 100 42 GLU N N 120.67 0.3 1 358 101 43 ASN H H 8.28 0.03 1 359 101 43 ASN HA H 4.67 0.03 1 360 101 43 ASN HB2 H 2.82 0.03 2 361 101 43 ASN HB3 H 2.8 0.03 2 362 101 43 ASN HD21 H 7.68 0.03 2 363 101 43 ASN HD22 H 6.88 0.03 2 364 101 43 ASN C C 176.89 0.3 1 365 101 43 ASN CA C 54.5 0.3 1 366 101 43 ASN CB C 39.5 0.3 1 367 101 43 ASN N N 118.35 0.3 1 368 101 43 ASN ND2 N 113.3 0.3 1 369 102 44 GLU H H 8.3 0.03 1 370 102 44 GLU HA H 4.23 0.03 1 371 102 44 GLU HB2 H 1.96 0.03 2 372 102 44 GLU HB3 H 2.07 0.03 2 373 102 44 GLU HG2 H 2.28 0.03 2 374 102 44 GLU HG3 H 2.28 0.03 2 375 102 44 GLU C C 175.7 0.3 1 376 102 44 GLU CA C 58.0 0.3 1 377 102 44 GLU CB C 30.5 0.3 1 378 102 44 GLU CG C 36.6 0.3 1 379 102 44 GLU N N 120.48 0.3 1 380 103 45 THR H H 8.05 0.03 1 381 103 45 THR HA H 4.2 0.03 1 382 103 45 THR HB H 4.22 0.03 1 383 103 45 THR HG2 H 1.21 0.03 1 384 103 45 THR C C 177.12 0.3 1 385 103 45 THR CA C 63.8 0.3 1 386 103 45 THR CB C 69.9 0.3 1 387 103 45 THR CG2 C 22.2 0.3 1 388 103 45 THR N N 114.11 0.3 1 389 104 46 LEU H H 8.0 0.03 1 390 104 46 LEU HA H 4.27 0.03 1 391 104 46 LEU HB2 H 1.68 0.03 2 392 104 46 LEU HB3 H 1.6 0.03 2 393 104 46 LEU HD1 H 0.89 0.03 2 394 104 46 LEU HD2 H 0.85 0.03 2 395 104 46 LEU HG H 1.62 0.03 1 396 104 46 LEU C C 175.02 0.3 1 397 104 46 LEU CA C 56.6 0.3 1 398 104 46 LEU CB C 42.5 0.3 1 399 104 46 LEU CD1 C 25.5 0.3 1 400 104 46 LEU CD2 C 24.1 0.3 1 401 104 46 LEU CG C 27.5 0.3 1 402 104 46 LEU N N 122.36 0.3 1 403 105 47 ILE H H 7.87 0.03 1 404 105 47 ILE HA H 4.07 0.03 1 405 105 47 ILE HB H 1.84 0.03 1 406 105 47 ILE HD1 H 0.81 0.03 1 407 105 47 ILE HG12 H 1.12 0.03 1 408 105 47 ILE HG13 H 1.47 0.03 1 409 105 47 ILE HG2 H 0.86 0.03 1 410 105 47 ILE C C 177.43 0.3 1 411 105 47 ILE CA C 61.9 0.3 1 412 105 47 ILE CB C 38.9 0.3 1 413 105 47 ILE CD1 C 13.8 0.3 1 414 105 47 ILE CG1 C 28.1 0.3 1 415 105 47 ILE CG2 C 17.7 0.3 1 416 105 47 ILE N N 118.8 0.3 1 417 106 48 ASN H H 8.07 0.03 1 418 106 48 ASN C C 178.44 0.3 1 419 106 48 ASN N N 120.2 0.3 1 420 107 49 LEU H H 8.53 0.03 1 421 107 49 LEU HA H 4.07 0.03 1 422 107 49 LEU HB2 H 1.57 0.03 2 423 107 49 LEU HB3 H 1.7 0.03 2 424 107 49 LEU HD1 H 0.88 0.03 2 425 107 49 LEU HD2 H 0.79 0.03 2 426 107 49 LEU C C 176.39 0.3 1 427 107 49 LEU CA C 57.3 0.3 1 428 107 49 LEU CB C 42.2 0.3 1 429 107 49 LEU CD1 C 25.7 0.3 1 430 107 49 LEU CD2 C 24.2 0.3 1 431 107 49 LEU N N 125.54 0.3 1 432 108 50 GLU H H 8.38 0.03 1 433 108 50 GLU HA H 4.06 0.03 1 434 108 50 GLU HB2 H 2.12 0.03 2 435 108 50 GLU HB3 H 2.07 0.03 2 436 108 50 GLU HG2 H 2.36 0.03 2 437 108 50 GLU HG3 H 2.28 0.03 2 438 108 50 GLU C C 177.88 0.3 1 439 108 50 GLU CA C 60.5 0.3 1 440 108 50 GLU CB C 29.3 0.3 1 441 108 50 GLU CG C 37.1 0.3 1 442 108 50 GLU N N 120.2 0.3 1 443 109 51 LYS H H 8.01 0.03 1 444 109 51 LYS HA H 4.12 0.03 1 445 109 51 LYS HB2 H 1.85 0.03 2 446 109 51 LYS HB3 H 1.85 0.03 2 447 109 51 LYS HD2 H 1.71 0.03 2 448 109 51 LYS HD3 H 1.71 0.03 2 449 109 51 LYS HE2 H 2.99 0.03 2 450 109 51 LYS HE3 H 2.99 0.03 2 451 109 51 LYS HG2 H 1.46 0.03 2 452 109 51 LYS HG3 H 1.46 0.03 2 453 109 51 LYS C C 179.46 0.3 1 454 109 51 LYS CA C 59.2 0.3 1 455 109 51 LYS CB C 32.7 0.3 1 456 109 51 LYS CD C 29.3 0.3 1 457 109 51 LYS CE C 42.3 0.3 1 458 109 51 LYS CG C 25.5 0.3 1 459 109 51 LYS N N 121.14 0.3 1 460 110 52 THR H H 7.83 0.03 1 461 110 52 THR HA H 3.83 0.03 1 462 110 52 THR HB H 3.97 0.03 1 463 110 52 THR HG2 H 0.9 0.03 1 464 110 52 THR C C 178.33 0.3 1 465 110 52 THR CA C 67.1 0.3 1 466 110 52 THR CB C 69.1 0.3 1 467 110 52 THR CG2 C 22.4 0.3 1 468 110 52 THR N N 117.16 0.3 1 469 111 53 GLN H H 8.61 0.03 1 470 111 53 GLN HA H 3.93 0.03 1 471 111 53 GLN HB2 H 2.22 0.03 2 472 111 53 GLN HB3 H 1.94 0.03 2 473 111 53 GLN HE21 H 7.86 0.03 2 474 111 53 GLN HE22 H 6.54 0.03 2 475 111 53 GLN HG2 H 2.46 0.03 2 476 111 53 GLN HG3 H 2.36 0.03 2 477 111 53 GLN C C 176.95 0.3 1 478 111 53 GLN CA C 60.2 0.3 1 479 111 53 GLN CB C 29.2 0.3 1 480 111 53 GLN CG C 35.3 0.3 1 481 111 53 GLN N N 121.88 0.3 1 482 111 53 GLN NE2 N 113.5 0.3 1 483 112 54 SER H H 8.15 0.03 1 484 112 54 SER HA H 3.92 0.03 1 485 112 54 SER HB2 H 4.05 0.03 2 486 112 54 SER HB3 H 4.05 0.03 2 487 112 54 SER C C 177.63 0.3 1 488 112 54 SER CA C 61.9 0.3 1 489 112 54 SER CB C 63.2 0.3 1 490 112 54 SER N N 116.36 0.3 1 491 113 55 ASP H H 8.45 0.03 1 492 113 55 ASP HA H 4.46 0.03 1 493 113 55 ASP HB2 H 2.84 0.03 2 494 113 55 ASP HB3 H 2.69 0.03 2 495 113 55 ASP C C 175.47 0.3 1 496 113 55 ASP CA C 57.8 0.3 1 497 113 55 ASP CB C 40.5 0.3 1 498 113 55 ASP N N 122.78 0.3 1 499 114 56 LEU H H 8.09 0.03 1 500 114 56 LEU HA H 4.19 0.03 1 501 114 56 LEU HB2 H 2.23 0.03 2 502 114 56 LEU HB3 H 1.88 0.03 2 503 114 56 LEU HD1 H 1.14 0.03 2 504 114 56 LEU HD2 H 1.18 0.03 2 505 114 56 LEU HG H 1.72 0.03 1 506 114 56 LEU C C 179.19 0.3 1 507 114 56 LEU CA C 59.1 0.3 1 508 114 56 LEU CB C 41.7 0.3 1 509 114 56 LEU CD1 C 26.5 0.3 1 510 114 56 LEU CD2 C 25.8 0.3 1 511 114 56 LEU CG C 28.1 0.3 1 512 114 56 LEU N N 124.19 0.3 1 513 115 57 GLN H H 8.41 0.03 1 514 115 57 GLN HA H 4.03 0.03 1 515 115 57 GLN HB2 H 2.25 0.03 2 516 115 57 GLN HB3 H 2.13 0.03 2 517 115 57 GLN HE21 H 8.74 0.03 2 518 115 57 GLN HE22 H 6.66 0.03 2 519 115 57 GLN HG2 H 2.67 0.03 2 520 115 57 GLN HG3 H 2.43 0.03 2 521 115 57 GLN C C 178.77 0.3 1 522 115 57 GLN CA C 59.6 0.3 1 523 115 57 GLN CB C 27.6 0.3 1 524 115 57 GLN CG C 33.9 0.3 1 525 115 57 GLN N N 119.6 0.3 1 526 115 57 GLN NE2 N 113.41 0.3 1 527 116 58 LYS H H 8.07 0.03 1 528 116 58 LYS HA H 4.13 0.03 1 529 116 58 LYS HB2 H 2.04 0.03 2 530 116 58 LYS HB3 H 2.04 0.03 2 531 116 58 LYS HD2 H 1.76 0.03 2 532 116 58 LYS HD3 H 1.76 0.03 2 533 116 58 LYS HE2 H 3.01 0.03 2 534 116 58 LYS HE3 H 3.01 0.03 2 535 116 58 LYS HG2 H 1.66 0.03 2 536 116 58 LYS HG3 H 1.66 0.03 2 537 116 58 LYS C C 179.46 0.3 1 538 116 58 LYS CA C 60.4 0.3 1 539 116 58 LYS CB C 32.7 0.3 1 540 116 58 LYS CD C 29.8 0.3 1 541 116 58 LYS CE C 42.6 0.3 1 542 116 58 LYS CG C 25.5 0.3 1 543 116 58 LYS N N 120.67 0.3 1 544 117 59 PHE H H 7.88 0.03 1 545 117 59 PHE HA H 4.83 0.03 1 546 117 59 PHE HB2 H 3.5 0.03 2 547 117 59 PHE HB3 H 3.12 0.03 2 548 117 59 PHE HD1 H 7.28 0.03 3 549 117 59 PHE HD2 H 7.28 0.03 3 550 117 59 PHE HE1 H 7.14 0.03 3 551 117 59 PHE HE2 H 7.14 0.03 3 552 117 59 PHE HZ H 7.45 0.03 1 553 117 59 PHE C C 179.33 0.3 1 554 117 59 PHE CA C 59.5 0.3 1 555 117 59 PHE CB C 39.5 0.3 1 556 117 59 PHE CD1 C 132.18 0.3 3 557 117 59 PHE CD2 C 132.18 0.3 3 558 117 59 PHE CE1 C 130.38 0.3 3 559 117 59 PHE CE2 C 130.38 0.3 3 560 117 59 PHE CZ C 129.58 0.3 1 561 117 59 PHE N N 121.38 0.3 1 562 118 60 MET H H 8.79 0.03 1 563 118 60 MET HA H 3.53 0.03 1 564 118 60 MET HB2 H 2.32 0.03 2 565 118 60 MET HB3 H 2.07 0.03 2 566 118 60 MET HE H 2.06 0.03 1 567 118 60 MET HG2 H 2.15 0.03 2 568 118 60 MET HG3 H 2.74 0.03 2 569 118 60 MET C C 177.55 0.3 1 570 118 60 MET CA C 61.1 0.3 1 571 118 60 MET CB C 34.0 0.3 1 572 118 60 MET CE C 16.6 0.3 1 573 118 60 MET CG C 32.8 0.3 1 574 118 60 MET N N 117.86 0.3 1 575 119 61 THR H H 7.98 0.03 1 576 119 61 THR HA H 3.96 0.03 1 577 119 61 THR HB H 4.3 0.03 1 578 119 61 THR HG2 H 1.24 0.03 1 579 119 61 THR C C 177.99 0.3 1 580 119 61 THR CA C 67.0 0.3 1 581 119 61 THR CB C 69.3 0.3 1 582 119 61 THR CG2 C 22.1 0.3 1 583 119 61 THR N N 115.05 0.3 1 584 120 62 GLN H H 7.6 0.03 1 585 120 62 GLN HA H 4.09 0.03 1 586 120 62 GLN HB2 H 2.34 0.03 2 587 120 62 GLN HB3 H 2.23 0.03 2 588 120 62 GLN HE21 H 7.58 0.03 2 589 120 62 GLN HE22 H 6.85 0.03 2 590 120 62 GLN HG2 H 2.51 0.03 2 591 120 62 GLN HG3 H 2.37 0.03 2 592 120 62 GLN C C 175.47 0.3 1 593 120 62 GLN CA C 59.3 0.3 1 594 120 62 GLN CB C 28.8 0.3 1 595 120 62 GLN CG C 34.2 0.3 1 596 120 62 GLN N N 122.22 0.3 1 597 120 62 GLN NE2 N 110.4 0.3 1 598 121 63 LEU H H 8.01 0.03 1 599 121 63 LEU HA H 3.83 0.03 1 600 121 63 LEU HB2 H 1.63 0.03 2 601 121 63 LEU HB3 H 1.17 0.03 2 602 121 63 LEU HD1 H 0.38 0.03 2 603 121 63 LEU HD2 H 0.6 0.03 2 604 121 63 LEU HG H 1.18 0.03 1 605 121 63 LEU C C 178.99 0.3 1 606 121 63 LEU CA C 58.1 0.3 1 607 121 63 LEU CB C 41.8 0.3 1 608 121 63 LEU CD1 C 26.5 0.3 1 609 121 63 LEU CD2 C 24.2 0.3 1 610 121 63 LEU CG C 26.6 0.3 1 611 121 63 LEU N N 119.3 0.3 1 612 122 64 ASP H H 8.13 0.03 1 613 122 64 ASP HA H 4.24 0.03 1 614 122 64 ASP HB2 H 2.63 0.03 2 615 122 64 ASP HB3 H 2.68 0.03 2 616 122 64 ASP C C 178.17 0.3 1 617 122 64 ASP CA C 57.7 0.3 1 618 122 64 ASP CB C 42.3 0.3 1 619 122 64 ASP N N 118.33 0.3 1 620 123 65 HIS H H 7.63 0.03 1 621 123 65 HIS HA H 4.37 0.03 1 622 123 65 HIS HB2 H 3.31 0.03 2 623 123 65 HIS HB3 H 3.27 0.03 2 624 123 65 HIS HD2 H 7.2 0.03 4 625 123 65 HIS HE1 H 8.19 0.03 4 626 123 65 HIS C C 178.35 0.3 1 627 123 65 HIS CA C 58.5 0.3 1 628 123 65 HIS CB C 29.6 0.3 1 629 123 65 HIS CD2 C 120.48 0.3 1 630 123 65 HIS CE1 C 137.23 0.3 1 631 123 65 HIS N N 114.87 0.3 1 632 124 66 LEU H H 7.77 0.03 1 633 124 66 LEU HA H 4.19 0.03 1 634 124 66 LEU HB2 H 1.9 0.03 2 635 124 66 LEU HB3 H 1.61 0.03 2 636 124 66 LEU HD1 H 0.88 0.03 2 637 124 66 LEU HD2 H 0.91 0.03 2 638 124 66 LEU HG H 1.8 0.03 1 639 124 66 LEU C C 176.57 0.3 1 640 124 66 LEU CA C 57.2 0.3 1 641 124 66 LEU CB C 42.8 0.3 1 642 124 66 LEU CD1 C 23.9 0.3 1 643 124 66 LEU CD2 C 25.6 0.3 1 644 124 66 LEU CG C 27.0 0.3 1 645 124 66 LEU N N 119.76 0.3 1 646 125 67 ILE H H 7.76 0.03 1 647 125 67 ILE HA H 4.03 0.03 1 648 125 67 ILE HB H 1.93 0.03 1 649 125 67 ILE HD1 H 0.79 0.03 1 650 125 67 ILE HG12 H 1.09 0.03 1 651 125 67 ILE HG13 H 1.64 0.03 1 652 125 67 ILE HG2 H 0.88 0.03 1 653 125 67 ILE C C 178.63 0.3 1 654 125 67 ILE CA C 63.7 0.3 1 655 125 67 ILE CB C 38.4 0.3 1 656 125 67 ILE CD1 C 14.6 0.3 1 657 125 67 ILE CG1 C 28.8 0.3 1 658 125 67 ILE CG2 C 17.9 0.3 1 659 125 67 ILE N N 118.99 0.3 1 660 126 68 LYS H H 7.98 0.03 1 661 126 68 LYS HA H 4.22 0.03 1 662 126 68 LYS HB2 H 1.76 0.03 2 663 126 68 LYS HB3 H 1.87 0.03 2 664 126 68 LYS HD2 H 1.62 0.03 2 665 126 68 LYS HD3 H 1.62 0.03 2 666 126 68 LYS HE2 H 2.96 0.03 2 667 126 68 LYS HE3 H 2.96 0.03 2 668 126 68 LYS HG2 H 1.41 0.03 2 669 126 68 LYS HG3 H 1.47 0.03 2 670 126 68 LYS C C 177.43 0.3 1 671 126 68 LYS CA C 57.5 0.3 1 672 126 68 LYS CB C 34.0 0.3 1 673 126 68 LYS CD C 29.4 0.3 1 674 126 68 LYS CE C 42.5 0.3 1 675 126 68 LYS CG C 25.3 0.3 1 676 126 68 LYS N N 122.35 0.3 1 677 127 69 ASP H H 7.97 0.03 1 678 127 69 ASP HA H 4.59 0.03 1 679 127 69 ASP HB2 H 2.62 0.03 2 680 127 69 ASP HB3 H 2.73 0.03 2 681 127 69 ASP C C 176.93 0.3 1 682 127 69 ASP CA C 55.4 0.3 1 683 127 69 ASP CB C 41.5 0.3 1 684 127 69 ASP N N 118.85 0.3 1 685 128 70 ASP H H 7.79 0.03 1 686 128 70 ASP HA H 4.59 0.03 1 687 128 70 ASP HB2 H 2.79 0.03 2 688 128 70 ASP HB3 H 2.52 0.03 2 689 128 70 ASP C C 175.96 0.3 1 690 128 70 ASP CA C 54.8 0.3 1 691 128 70 ASP CB C 41.7 0.3 1 692 128 70 ASP N N 119.53 0.3 1 693 129 71 ILE H H 8.09 0.03 1 694 129 71 ILE HA H 4.29 0.03 1 695 129 71 ILE HB H 1.94 0.03 1 696 129 71 ILE HD1 H 0.86 0.03 1 697 129 71 ILE HG12 H 1.19 0.03 1 698 129 71 ILE HG13 H 1.44 0.03 1 699 129 71 ILE HG2 H 0.9 0.03 1 700 129 71 ILE C C 175.82 0.3 1 701 129 71 ILE CA C 61.7 0.3 1 702 129 71 ILE CB C 39.1 0.3 1 703 129 71 ILE CD1 C 13.7 0.3 1 704 129 71 ILE CG1 C 27.6 0.3 1 705 129 71 ILE CG2 C 18.1 0.3 1 706 129 71 ILE N N 119.27 0.3 1 707 130 72 SER H H 8.15 0.03 1 708 130 72 SER HA H 4.28 0.03 1 709 130 72 SER HB2 H 4.06 0.03 2 710 130 72 SER HB3 H 3.87 0.03 2 711 130 72 SER C C 176.52 0.3 1 712 130 72 SER CA C 58.7 0.3 1 713 130 72 SER CB C 65.1 0.3 1 714 130 72 SER N N 117.89 0.3 1 715 131 73 ASN H H 8.83 0.03 1 716 131 73 ASN HA H 4.77 0.03 1 717 131 73 ASN HB2 H 2.91 0.03 2 718 131 73 ASN HB3 H 2.91 0.03 2 719 131 73 ASN HD21 H 7.74 0.03 2 720 131 73 ASN HD22 H 6.93 0.03 2 721 131 73 ASN C C 175.42 0.3 1 722 131 73 ASN CA C 55.3 0.3 1 723 131 73 ASN CB C 38.7 0.3 1 724 131 73 ASN N N 121.56 0.3 1 725 131 73 ASN ND2 N 112.59 0.3 1 726 132 74 THR H H 8.26 0.03 1 727 132 74 THR HA H 4.23 0.03 1 728 132 74 THR HB H 4.24 0.03 1 729 132 74 THR HG2 H 1.27 0.03 1 730 132 74 THR C C 176.55 0.3 1 731 132 74 THR CA C 63.9 0.3 1 732 132 74 THR CB C 69.4 0.3 1 733 132 74 THR CG2 C 23.1 0.3 1 734 132 74 THR N N 113.41 0.3 1 735 133 75 GLN H H 7.97 0.03 1 736 133 75 GLN HA H 4.02 0.03 1 737 133 75 GLN HB2 H 2.2 0.03 2 738 133 75 GLN HB3 H 2.2 0.03 2 739 133 75 GLN HG2 H 2.42 0.03 2 740 133 75 GLN HG3 H 2.42 0.03 2 741 133 75 GLN C C 175.58 0.3 1 742 133 75 GLN CA C 59.1 0.3 1 743 133 75 GLN CB C 29.1 0.3 1 744 133 75 GLN CG C 34.0 0.3 1 745 133 75 GLN N N 121.67 0.3 1 746 134 76 GLU H H 8.29 0.03 1 747 134 76 GLU HA H 3.97 0.03 1 748 134 76 GLU HB2 H 2.07 0.03 2 749 134 76 GLU HB3 H 2.07 0.03 2 750 134 76 GLU HG2 H 2.38 0.03 2 751 134 76 GLU HG3 H 2.31 0.03 2 752 134 76 GLU C C 177.25 0.3 1 753 134 76 GLU CA C 59.9 0.3 1 754 134 76 GLU CB C 29.6 0.3 1 755 134 76 GLU CG C 36.8 0.3 1 756 134 76 GLU N N 119.03 0.3 1 757 135 77 ILE H H 7.69 0.03 1 758 135 77 ILE HA H 4.02 0.03 1 759 135 77 ILE HB H 1.91 0.03 1 760 135 77 ILE HD1 H 0.9 0.03 1 761 135 77 ILE HG12 H 1.71 0.03 1 762 135 77 ILE HG13 H 1.19 0.03 1 763 135 77 ILE HG2 H 0.99 0.03 1 764 135 77 ILE C C 178.63 0.3 1 765 135 77 ILE CA C 64.8 0.3 1 766 135 77 ILE CB C 38.9 0.3 1 767 135 77 ILE CD1 C 14.7 0.3 1 768 135 77 ILE CG1 C 29.1 0.3 1 769 135 77 ILE CG2 C 18.3 0.3 1 770 135 77 ILE N N 118.11 0.3 1 771 136 78 ILE H H 7.89 0.03 1 772 136 78 ILE HA H 3.57 0.03 1 773 136 78 ILE HB H 1.9 0.03 1 774 136 78 ILE HD1 H 0.8 0.03 1 775 136 78 ILE HG12 H 1.14 0.03 1 776 136 78 ILE HG13 H 1.66 0.03 1 777 136 78 ILE HG2 H 0.88 0.03 1 778 136 78 ILE C C 178.26 0.3 1 779 136 78 ILE CA C 65.7 0.3 1 780 136 78 ILE CB C 37.6 0.3 1 781 136 78 ILE CD1 C 13.8 0.3 1 782 136 78 ILE CG1 C 28.8 0.3 1 783 136 78 ILE CG2 C 19.0 0.3 1 784 136 78 ILE N N 118.01 0.3 1 785 137 79 LYS H H 7.81 0.03 1 786 137 79 LYS HA H 3.85 0.03 1 787 137 79 LYS HB2 H 1.88 0.03 2 788 137 79 LYS HB3 H 1.88 0.03 2 789 137 79 LYS HD2 H 1.67 0.03 2 790 137 79 LYS HD3 H 1.67 0.03 2 791 137 79 LYS HE2 H 2.94 0.03 2 792 137 79 LYS HE3 H 2.94 0.03 2 793 137 79 LYS HG2 H 1.62 0.03 2 794 137 79 LYS HG3 H 1.4 0.03 2 795 137 79 LYS C C 177.29 0.3 1 796 137 79 LYS CA C 60.9 0.3 1 797 137 79 LYS CB C 32.5 0.3 1 798 137 79 LYS CD C 29.9 0.3 1 799 137 79 LYS CE C 42.5 0.3 1 800 137 79 LYS CG C 26.3 0.3 1 801 137 79 LYS N N 119.27 0.3 1 802 138 80 ASP H H 7.47 0.03 1 803 138 80 ASP HA H 4.13 0.03 1 804 138 80 ASP HB2 H 2.4 0.03 2 805 138 80 ASP HB3 H 2.88 0.03 2 806 138 80 ASP C C 179.27 0.3 1 807 138 80 ASP CA C 57.7 0.3 1 808 138 80 ASP CB C 40.2 0.3 1 809 138 80 ASP N N 120.43 0.3 1 810 139 81 VAL H H 8.21 0.03 1 811 139 81 VAL HA H 3.52 0.03 1 812 139 81 VAL HB H 2.29 0.03 1 813 139 81 VAL HG1 H 0.9 0.03 2 814 139 81 VAL HG2 H 1.18 0.03 2 815 139 81 VAL C C 177.14 0.3 1 816 139 81 VAL CA C 67.3 0.3 1 817 139 81 VAL CB C 31.8 0.3 1 818 139 81 VAL CG1 C 22.9 0.3 1 819 139 81 VAL CG2 C 24.5 0.3 1 820 139 81 VAL N N 118.15 0.3 1 821 140 82 LEU H H 8.35 0.03 1 822 140 82 LEU HA H 3.87 0.03 1 823 140 82 LEU HB2 H 1.76 0.03 2 824 140 82 LEU HB3 H 1.55 0.03 2 825 140 82 LEU HD1 H 0.9 0.03 2 826 140 82 LEU HD2 H 0.88 0.03 2 827 140 82 LEU HG H 1.54 0.03 1 828 140 82 LEU C C 177.79 0.3 1 829 140 82 LEU CA C 59.0 0.3 1 830 140 82 LEU CB C 42.2 0.3 1 831 140 82 LEU CD1 C 24.7 0.3 1 832 140 82 LEU CD2 C 25.8 0.3 1 833 140 82 LEU CG C 27.8 0.3 1 834 140 82 LEU N N 119.23 0.3 1 835 141 83 GLU H H 7.39 0.03 1 836 141 83 GLU HA H 3.96 0.03 1 837 141 83 GLU HB2 H 1.99 0.03 2 838 141 83 GLU HB3 H 2.02 0.03 2 839 141 83 GLU HG2 H 2.26 0.03 2 840 141 83 GLU HG3 H 2.26 0.03 2 841 141 83 GLU C C 178.25 0.3 1 842 141 83 GLU CA C 60.0 0.3 1 843 141 83 GLU CB C 29.1 0.3 1 844 141 83 GLU CG C 36.1 0.3 1 845 141 83 GLU N N 117.86 0.3 1 846 142 84 TYR H H 8.05 0.03 1 847 142 84 TYR HA H 4.52 0.03 1 848 142 84 TYR HB2 H 3.19 0.03 2 849 142 84 TYR HB3 H 3.05 0.03 2 850 142 84 TYR HD1 H 6.93 0.03 3 851 142 84 TYR HD2 H 6.93 0.03 3 852 142 84 TYR HE1 H 6.81 0.03 3 853 142 84 TYR HE2 H 6.81 0.03 3 854 142 84 TYR C C 180.12 0.3 1 855 142 84 TYR CA C 59.6 0.3 1 856 142 84 TYR CB C 37.3 0.3 1 857 142 84 TYR CD1 C 131.98 0.3 3 858 142 84 TYR CD2 C 131.98 0.3 3 859 142 84 TYR CE1 C 118.58 0.3 3 860 142 84 TYR CE2 C 118.58 0.3 3 861 142 84 TYR N N 118.8 0.3 1 862 143 85 LEU H H 8.89 0.03 1 863 143 85 LEU HA H 4.12 0.03 1 864 143 85 LEU HB2 H 1.59 0.03 2 865 143 85 LEU HB3 H 2.05 0.03 2 866 143 85 LEU HD1 H 0.79 0.03 2 867 143 85 LEU HD2 H 0.89 0.03 2 868 143 85 LEU HG H 2.23 0.03 1 869 143 85 LEU C C 179.0 0.3 1 870 143 85 LEU CA C 58.3 0.3 1 871 143 85 LEU CB C 41.3 0.3 1 872 143 85 LEU CD1 C 28.6 0.3 1 873 143 85 LEU CD2 C 22.4 0.3 1 874 143 85 LEU CG C 26.2 0.3 1 875 143 85 LEU N N 119.06 0.3 1 876 144 86 LYS H H 8.33 0.03 1 877 144 86 LYS HA H 3.96 0.03 1 878 144 86 LYS HB2 H 1.92 0.03 2 879 144 86 LYS HB3 H 1.96 0.03 2 880 144 86 LYS HD2 H 1.66 0.03 2 881 144 86 LYS HD3 H 1.66 0.03 2 882 144 86 LYS HE2 H 2.93 0.03 2 883 144 86 LYS HG2 H 1.67 0.03 2 884 144 86 LYS HG3 H 1.45 0.03 2 885 144 86 LYS C C 178.45 0.3 1 886 144 86 LYS CA C 60.4 0.3 1 887 144 86 LYS CB C 33.0 0.3 1 888 144 86 LYS CD C 30.0 0.3 1 889 144 86 LYS CE C 42.5 0.3 1 890 144 86 LYS CG C 26.3 0.3 1 891 144 86 LYS N N 119.65 0.3 1 892 145 87 LYS H H 7.47 0.03 1 893 145 87 LYS HA H 4.18 0.03 1 894 145 87 LYS HB2 H 2.04 0.03 2 895 145 87 LYS HB3 H 2.0 0.03 2 896 145 87 LYS HD2 H 1.72 0.03 2 897 145 87 LYS HD3 H 1.72 0.03 2 898 145 87 LYS HE2 H 2.96 0.03 2 899 145 87 LYS HE3 H 2.96 0.03 2 900 145 87 LYS HG2 H 1.6 0.03 2 901 145 87 LYS HG3 H 1.6 0.03 2 902 145 87 LYS C C 180.05 0.3 1 903 145 87 LYS CA C 58.7 0.3 1 904 145 87 LYS CB C 32.3 0.3 1 905 145 87 LYS CD C 28.8 0.3 1 906 145 87 LYS CE C 42.8 0.3 1 907 145 87 LYS CG C 25.7 0.3 1 908 145 87 LYS N N 119.02 0.3 1 909 146 88 LEU H H 8.3 0.03 1 910 146 88 LEU HA H 3.85 0.03 1 911 146 88 LEU HB2 H 1.45 0.03 2 912 146 88 LEU HB3 H 1.99 0.03 2 913 146 88 LEU HD1 H 0.57 0.03 2 914 146 88 LEU HD2 H 0.8 0.03 2 915 146 88 LEU HG H 1.32 0.03 1 916 146 88 LEU C C 178.74 0.3 1 917 146 88 LEU CA C 57.8 0.3 1 918 146 88 LEU CB C 42.3 0.3 1 919 146 88 LEU CD1 C 23.2 0.3 1 920 146 88 LEU CD2 C 25.7 0.3 1 921 146 88 LEU CG C 27.0 0.3 1 922 146 88 LEU N N 122.45 0.3 1 923 147 89 ASP H H 8.55 0.03 1 924 147 89 ASP HA H 4.34 0.03 1 925 147 89 ASP HB2 H 2.83 0.03 2 926 147 89 ASP HB3 H 2.83 0.03 2 927 147 89 ASP C C 177.51 0.3 1 928 147 89 ASP CA C 58.5 0.3 1 929 147 89 ASP CB C 42.8 0.3 1 930 147 89 ASP N N 118.54 0.3 1 931 148 90 GLU H H 7.28 0.03 1 932 148 90 GLU HA H 4.02 0.03 1 933 148 90 GLU HB2 H 2.22 0.03 2 934 148 90 GLU HB3 H 2.18 0.03 2 935 148 90 GLU HG2 H 2.21 0.03 2 936 148 90 GLU HG3 H 2.51 0.03 2 937 148 90 GLU C C 178.13 0.3 1 938 148 90 GLU CA C 59.7 0.3 1 939 148 90 GLU CB C 30.2 0.3 1 940 148 90 GLU CG C 36.8 0.3 1 941 148 90 GLU N N 115.84 0.3 1 942 149 91 ILE H H 7.75 0.03 1 943 149 91 ILE HA H 4.09 0.03 1 944 149 91 ILE HB H 1.98 0.03 1 945 149 91 ILE HD1 H 0.73 0.03 1 946 149 91 ILE HG12 H 1.4 0.03 1 947 149 91 ILE HG13 H 1.4 0.03 1 948 149 91 ILE HG2 H 0.85 0.03 1 949 149 91 ILE C C 179.71 0.3 1 950 149 91 ILE CA C 63.4 0.3 1 951 149 91 ILE CB C 38.9 0.3 1 952 149 91 ILE CD1 C 14.1 0.3 1 953 149 91 ILE CG1 C 28.1 0.3 1 954 149 91 ILE CG2 C 18.2 0.3 1 955 149 91 ILE N N 116.69 0.3 1 956 150 92 TYR H H 8.48 0.03 1 957 150 92 TYR HA H 4.2 0.03 1 958 150 92 TYR HB2 H 3.18 0.03 2 959 150 92 TYR HB3 H 2.92 0.03 2 960 150 92 TYR HD1 H 6.92 0.03 3 961 150 92 TYR HD2 H 6.92 0.03 3 962 150 92 TYR HE1 H 6.53 0.03 3 963 150 92 TYR HE2 H 6.53 0.03 3 964 150 92 TYR C C 178.65 0.3 1 965 150 92 TYR CA C 60.8 0.3 1 966 150 92 TYR CB C 38.2 0.3 1 967 150 92 TYR CD1 C 130.98 0.3 3 968 150 92 TYR CD2 C 130.98 0.3 3 969 150 92 TYR CE1 C 117.68 0.3 3 970 150 92 TYR CE2 C 117.68 0.3 3 971 150 92 TYR N N 122.82 0.3 1 972 151 93 GLY H H 8.14 0.03 1 973 151 93 GLY HA2 H 4.05 0.03 2 974 151 93 GLY HA3 H 3.95 0.03 2 975 151 93 GLY C C 178.33 0.3 1 976 151 93 GLY CA C 47.0 0.3 1 977 151 93 GLY N N 102.63 0.3 1 978 152 94 SER H H 7.93 0.03 1 979 152 94 SER HA H 4.73 0.03 1 980 152 94 SER HB2 H 3.97 0.03 2 981 152 94 SER HB3 H 3.93 0.03 2 982 152 94 SER C C 175.25 0.3 1 983 152 94 SER CA C 58.2 0.3 1 984 152 94 SER CB C 64.9 0.3 1 985 152 94 SER N N 114.3 0.3 1 986 153 95 LEU H H 7.38 0.03 1 987 153 95 LEU HA H 3.94 0.03 1 988 153 95 LEU HB2 H 1.71 0.03 2 989 153 95 LEU HB3 H 1.71 0.03 2 990 153 95 LEU HD1 H 0.66 0.03 2 991 153 95 LEU HD2 H 0.88 0.03 2 992 153 95 LEU HG H 1.77 0.03 1 993 153 95 LEU C C 174.71 0.3 1 994 153 95 LEU CA C 57.5 0.3 1 995 153 95 LEU CB C 42.1 0.3 1 996 153 95 LEU CD1 C 25.0 0.3 1 997 153 95 LEU CD2 C 25.7 0.3 1 998 153 95 LEU CG C 27.0 0.3 1 999 153 95 LEU N N 122.61 0.3 1 1000 154 96 ARG H H 8.3 0.03 1 1001 154 96 ARG HA H 4.3 0.03 1 1002 154 96 ARG HB2 H 1.89 0.03 2 1003 154 96 ARG HB3 H 1.73 0.03 2 1004 154 96 ARG HD2 H 3.23 0.03 2 1005 154 96 ARG HD3 H 3.18 0.03 2 1006 154 96 ARG HG2 H 1.54 0.03 2 1007 154 96 ARG HG3 H 1.62 0.03 2 1008 154 96 ARG C C 175.42 0.3 1 1009 154 96 ARG CA C 57.5 0.3 1 1010 154 96 ARG CB C 31.9 0.3 1 1011 154 96 ARG CD C 43.6 0.3 1 1012 154 96 ARG CG C 27.9 0.3 1 1013 154 96 ARG N N 118.1 0.3 1 1014 155 97 ASN H H 8.26 0.03 1 1015 155 97 ASN HA H 4.79 0.03 1 1016 155 97 ASN HB2 H 3.0 0.03 2 1017 155 97 ASN HB3 H 3.0 0.03 2 1018 155 97 ASN C C 176.42 0.3 1 1019 155 97 ASN CA C 53.0 0.3 1 1020 155 97 ASN CB C 40.2 0.3 1 1021 155 97 ASN N N 117.41 0.3 1 1022 158 100 GLN H H 7.59 0.03 1 1023 158 100 GLN HA H 4.47 0.03 1 1024 158 100 GLN HB2 H 2.33 0.03 2 1025 158 100 GLN HB3 H 2.09 0.03 2 1026 158 100 GLN HE21 H 7.46 0.03 2 1027 158 100 GLN HE22 H 6.64 0.03 2 1028 158 100 GLN HG2 H 2.43 0.03 2 1029 158 100 GLN HG3 H 2.36 0.03 2 1030 158 100 GLN C C 176.36 0.3 1 1031 158 100 GLN CA C 58.2 0.3 1 1032 158 100 GLN CB C 29.4 0.3 1 1033 158 100 GLN CG C 35.1 0.3 1 1034 158 100 GLN N N 120.02 0.3 1 1035 158 100 GLN NE2 N 111.5 0.3 1 1036 159 101 LEU H H 8.06 0.03 1 1037 159 101 LEU HA H 4.08 0.03 1 1038 159 101 LEU HB2 H 1.89 0.03 2 1039 159 101 LEU HB3 H 1.89 0.03 2 1040 159 101 LEU HD1 H 0.9 0.03 2 1041 159 101 LEU HD2 H 0.98 0.03 2 1042 159 101 LEU C C 177.5 0.3 1 1043 159 101 LEU CA C 58.2 0.3 1 1044 159 101 LEU CB C 41.8 0.3 1 1045 159 101 LEU CD1 C 25.8 0.3 1 1046 159 101 LEU CD2 C 23.9 0.3 1 1047 159 101 LEU N N 120.67 0.3 1 1048 160 102 THR H H 8.05 0.03 1 1049 160 102 THR HA H 3.8 0.03 1 1050 160 102 THR HB H 4.29 0.03 1 1051 160 102 THR HG2 H 1.29 0.03 1 1052 160 102 THR C C 178.19 0.3 1 1053 160 102 THR CA C 67.6 0.3 1 1054 160 102 THR CB C 69.0 0.3 1 1055 160 102 THR CG2 C 21.9 0.3 1 1056 160 102 THR N N 114.58 0.3 1 1057 161 103 GLU H H 7.56 0.03 1 1058 161 103 GLU HA H 4.15 0.03 1 1059 161 103 GLU HB2 H 2.09 0.03 2 1060 161 103 GLU HB3 H 1.99 0.03 2 1061 161 103 GLU HG2 H 2.3 0.03 2 1062 161 103 GLU HG3 H 2.3 0.03 2 1063 161 103 GLU C C 176.9 0.3 1 1064 161 103 GLU CA C 59.5 0.3 1 1065 161 103 GLU CB C 29.7 0.3 1 1066 161 103 GLU CG C 36.3 0.3 1 1067 161 103 GLU N N 121.64 0.3 1 1068 162 104 ALA H H 8.04 0.03 1 1069 162 104 ALA HA H 3.89 0.03 1 1070 162 104 ALA HB H 1.38 0.03 1 1071 162 104 ALA C C 178.77 0.3 1 1072 162 104 ALA CA C 55.9 0.3 1 1073 162 104 ALA CB C 18.5 0.3 1 1074 162 104 ALA N N 121.85 0.3 1 1075 163 105 LEU H H 8.54 0.03 1 1076 163 105 LEU HA H 4.0 0.03 1 1077 163 105 LEU HB2 H 2.09 0.03 2 1078 163 105 LEU HB3 H 1.23 0.03 2 1079 163 105 LEU HD1 H 0.99 0.03 2 1080 163 105 LEU HD2 H 0.9 0.03 2 1081 163 105 LEU HG H 1.95 0.03 1 1082 163 105 LEU C C 179.34 0.3 1 1083 163 105 LEU CA C 58.3 0.3 1 1084 163 105 LEU CB C 41.7 0.3 1 1085 163 105 LEU CD1 C 27.6 0.3 1 1086 163 105 LEU CD2 C 23.4 0.3 1 1087 163 105 LEU CG C 27.3 0.3 1 1088 163 105 LEU N N 116.22 0.3 1 1089 164 106 SER H H 7.73 0.03 1 1090 164 106 SER HA H 4.15 0.03 1 1091 164 106 SER HB2 H 4.03 0.03 2 1092 164 106 SER HB3 H 4.03 0.03 2 1093 164 106 SER C C 179.19 0.3 1 1094 164 106 SER CA C 62.1 0.3 1 1095 164 106 SER CB C 63.1 0.3 1 1096 164 106 SER N N 115.28 0.3 1 1097 165 107 LEU H H 8.22 0.03 1 1098 165 107 LEU HA H 3.86 0.03 1 1099 165 107 LEU HB2 H 1.23 0.03 2 1100 165 107 LEU HB3 H 1.99 0.03 2 1101 165 107 LEU HD1 H 0.83 0.03 2 1102 165 107 LEU HD2 H 0.98 0.03 2 1103 165 107 LEU HG H 1.83 0.03 1 1104 165 107 LEU C C 178.35 0.3 1 1105 165 107 LEU CA C 58.23 0.3 1 1106 165 107 LEU CB C 42.3 0.3 1 1107 165 107 LEU CD1 C 26.5 0.3 1 1108 165 107 LEU CD2 C 23.9 0.3 1 1109 165 107 LEU CG C 27.6 0.3 1 1110 165 107 LEU N N 123.2 0.3 1 1111 166 108 GLY H H 8.83 0.03 1 1112 166 108 GLY HA2 H 3.49 0.03 2 1113 166 108 GLY HA3 H 3.49 0.03 2 1114 166 108 GLY C C 179.7 0.3 1 1115 166 108 GLY CA C 48.36 0.3 1 1116 166 108 GLY N N 107.33 0.3 1 1117 167 109 LYS H H 8.36 0.03 1 1118 167 109 LYS HA H 3.89 0.03 1 1119 167 109 LYS HB2 H 1.97 0.03 2 1120 167 109 LYS HB3 H 1.97 0.03 2 1121 167 109 LYS HD2 H 1.69 0.03 2 1122 167 109 LYS HD3 H 1.76 0.03 2 1123 167 109 LYS HE2 H 2.91 0.03 2 1124 167 109 LYS HE3 H 2.91 0.03 2 1125 167 109 LYS HG2 H 1.67 0.03 2 1126 167 109 LYS HG3 H 1.33 0.03 2 1127 167 109 LYS C C 175.42 0.3 1 1128 167 109 LYS CA C 60.7 0.3 1 1129 167 109 LYS CB C 32.3 0.3 1 1130 167 109 LYS CD C 29.7 0.3 1 1131 167 109 LYS CE C 42.3 0.3 1 1132 167 109 LYS CG C 26.2 0.3 1 1133 167 109 LYS N N 123.4 0.3 1 1134 168 110 ARG H H 7.52 0.03 1 1135 168 110 ARG HA H 3.91 0.03 1 1136 168 110 ARG HB2 H 1.34 0.03 2 1137 168 110 ARG HB3 H 1.18 0.03 2 1138 168 110 ARG HD2 H 2.89 0.03 2 1139 168 110 ARG HD3 H 2.78 0.03 2 1140 168 110 ARG HG2 H 1.46 0.03 2 1141 168 110 ARG HG3 H 1.5 0.03 2 1142 168 110 ARG C C 179.33 0.3 1 1143 168 110 ARG CA C 59.8 0.3 1 1144 168 110 ARG CB C 29.1 0.3 1 1145 168 110 ARG CD C 43.6 0.3 1 1146 168 110 ARG CG C 27.6 0.3 1 1147 168 110 ARG N N 120.38 0.3 1 1148 169 111 LEU H H 8.52 0.03 1 1149 169 111 LEU HA H 4.11 0.03 1 1150 169 111 LEU HB2 H 1.37 0.03 2 1151 169 111 LEU HB3 H 2.13 0.03 2 1152 169 111 LEU HD1 H 0.79 0.03 2 1153 169 111 LEU HD2 H 1.16 0.03 2 1154 169 111 LEU C C 179.59 0.3 1 1155 169 111 LEU CA C 58.43 0.3 1 1156 169 111 LEU CB C 43.58 0.3 1 1157 169 111 LEU CD1 C 25.8 0.3 1 1158 169 111 LEU CD2 C 26.0 0.3 1 1159 169 111 LEU N N 120.91 0.3 1 1160 170 112 SER H H 8.7 0.03 1 1161 170 112 SER HA H 4.11 0.03 1 1162 170 112 SER HB2 H 3.91 0.03 2 1163 170 112 SER HB3 H 3.91 0.03 2 1164 170 112 SER C C 178.65 0.3 1 1165 170 112 SER CA C 62.6 0.3 1 1166 170 112 SER CB C 63.4 0.3 1 1167 170 112 SER N N 115.75 0.3 1 1168 171 113 LYS H H 7.94 0.03 1 1169 171 113 LYS HA H 4.32 0.03 1 1170 171 113 LYS HB2 H 2.07 0.03 2 1171 171 113 LYS HB3 H 2.07 0.03 2 1172 171 113 LYS HD2 H 1.71 0.03 2 1173 171 113 LYS HD3 H 1.71 0.03 2 1174 171 113 LYS HE2 H 2.97 0.03 2 1175 171 113 LYS HE3 H 2.97 0.03 2 1176 171 113 LYS HG2 H 1.51 0.03 2 1177 171 113 LYS HG3 H 1.61 0.03 2 1178 171 113 LYS C C 177.36 0.3 1 1179 171 113 LYS CA C 60.0 0.3 1 1180 171 113 LYS CB C 32.0 0.3 1 1181 171 113 LYS CD C 29.3 0.3 1 1182 171 113 LYS CE C 42.5 0.3 1 1183 171 113 LYS CG C 25.1 0.3 1 1184 171 113 LYS N N 125.37 0.3 1 1185 172 114 SER H H 8.13 0.03 1 1186 172 114 SER HA H 4.34 0.03 1 1187 172 114 SER HB2 H 3.76 0.03 2 1188 172 114 SER HB3 H 3.76 0.03 2 1189 172 114 SER CA C 63.9 0.3 1 1190 172 114 SER CB C 63.4 0.3 1 1191 172 114 SER N N 117.63 0.3 1 1192 173 115 LEU H H 8.34 0.03 1 1193 173 115 LEU HA H 4.11 0.03 1 1194 173 115 LEU HB2 H 1.5 0.03 2 1195 173 115 LEU HB3 H 2.24 0.03 2 1196 173 115 LEU HD1 H 1.06 0.03 2 1197 173 115 LEU HD2 H 1.02 0.03 2 1198 173 115 LEU HG H 1.71 0.03 1 1199 173 115 LEU C C 175.94 0.3 1 1200 173 115 LEU CA C 58.5 0.3 1 1201 173 115 LEU CB C 41.6 0.3 1 1202 173 115 LEU CD1 C 23.5 0.3 1 1203 173 115 LEU CD2 C 27.6 0.3 1 1204 173 115 LEU CG C 27.6 0.3 1 1205 173 115 LEU N N 122.08 0.3 1 1206 174 116 HIS H H 8.2 0.03 1 1207 174 116 HIS HA H 4.48 0.03 1 1208 174 116 HIS HB2 H 3.33 0.03 2 1209 174 116 HIS HB3 H 3.5 0.03 2 1210 174 116 HIS HD2 H 7.0 0.03 4 1211 174 116 HIS HE1 H 8.14 0.03 4 1212 174 116 HIS C C 177.69 0.3 1 1213 174 116 HIS CA C 59.5 0.3 1 1214 174 116 HIS CB C 29.8 0.3 1 1215 174 116 HIS CD2 C 119.38 0.3 1 1216 174 116 HIS CE1 C 137.23 0.3 1 1217 174 116 HIS N N 119.24 0.3 1 1218 175 117 GLU H H 8.38 0.03 1 1219 175 117 GLU HA H 3.95 0.03 1 1220 175 117 GLU HB2 H 2.31 0.03 2 1221 175 117 GLU HB3 H 2.09 0.03 2 1222 175 117 GLU HG2 H 2.46 0.03 2 1223 175 117 GLU HG3 H 2.29 0.03 2 1224 175 117 GLU C C 179.12 0.3 1 1225 175 117 GLU CA C 60.4 0.3 1 1226 175 117 GLU CB C 29.8 0.3 1 1227 175 117 GLU CG C 37.0 0.3 1 1228 175 117 GLU N N 120.2 0.3 1 1229 176 118 MET H H 8.45 0.03 1 1230 176 118 MET HA H 4.14 0.03 1 1231 176 118 MET HB2 H 2.14 0.03 2 1232 176 118 MET HB3 H 2.48 0.03 2 1233 176 118 MET HE H 2.05 0.03 1 1234 176 118 MET HG2 H 2.7 0.03 2 1235 176 118 MET HG3 H 2.64 0.03 2 1236 176 118 MET C C 180.48 0.3 1 1237 176 118 MET CA C 59.0 0.3 1 1238 176 118 MET CB C 33.0 0.3 1 1239 176 118 MET CE C 17.7 0.3 1 1240 176 118 MET CG C 33.4 0.3 1 1241 176 118 MET N N 119.27 0.3 1 1242 177 119 CYS H H 7.89 0.03 1 1243 177 119 CYS HA H 4.09 0.03 1 1244 177 119 CYS HB2 H 3.35 0.03 2 1245 177 119 CYS HB3 H 2.66 0.03 2 1246 177 119 CYS C C 178.66 0.3 1 1247 177 119 CYS CA C 63.6 0.3 1 1248 177 119 CYS CB C 27.6 0.3 1 1249 177 119 CYS N N 115.56 0.3 1 1250 178 120 GLY H H 7.47 0.03 1 1251 178 120 GLY HA2 H 4.29 0.03 2 1252 178 120 GLY HA3 H 3.71 0.03 2 1253 178 120 GLY C C 174.9 0.3 1 1254 178 120 GLY CA C 45.3 0.3 1 1255 178 120 GLY N N 104.50 0.3 1 1256 179 121 ILE H H 7.15 0.03 1 1257 179 121 ILE HA H 4.14 0.03 1 1258 179 121 ILE HB H 1.86 0.03 1 1259 179 121 ILE HD1 H 0.85 0.03 1 1260 179 121 ILE HG12 H 1.14 0.03 1 1261 179 121 ILE HG13 H 1.63 0.03 1 1262 179 121 ILE HG2 H 0.87 0.03 1 1263 179 121 ILE C C 173.67 0.3 1 1264 179 121 ILE CA C 61.3 0.3 1 1265 179 121 ILE CB C 39.5 0.3 1 1266 179 121 ILE CD1 C 13.8 0.3 1 1267 179 121 ILE CG1 C 28.1 0.3 1 1268 179 121 ILE CG2 C 17.8 0.3 1 1269 179 121 ILE N N 122.84 0.3 1 1270 180 122 GLU H H 8.17 0.03 1 1271 180 122 GLU HA H 4.63 0.03 1 1272 180 122 GLU HB2 H 1.92 0.03 2 1273 180 122 GLU HB3 H 1.83 0.03 2 1274 180 122 GLU HG2 H 2.14 0.03 2 1275 180 122 GLU HG3 H 2.19 0.03 2 1276 180 122 GLU C C 174.49 0.3 1 1277 180 122 GLU CA C 53.0 0.3 1 1278 180 122 GLU CB C 32.6 0.3 1 1279 180 122 GLU CG C 36.4 0.3 1 1280 180 122 GLU N N 125.84 0.3 1 1281 181 123 PRO HA H 4.71 0.03 1 1282 181 123 PRO HB2 H 2.42 0.03 2 1283 181 123 PRO HB3 H 2.08 0.03 2 1284 181 123 PRO HD2 H 3.53 0.03 2 1285 181 123 PRO HD3 H 3.65 0.03 2 1286 181 123 PRO HG2 H 1.96 0.03 2 1287 181 123 PRO HG3 H 1.96 0.03 2 1288 181 123 PRO CA C 62.8 0.3 1 1289 181 123 PRO CB C 34.7 0.3 1 1290 181 123 PRO CD C 50.6 0.3 1 1291 181 123 PRO CG C 25.6 0.3 1 1292 182 124 LEU H H 8.45 0.03 1 1293 182 124 LEU HA H 4.38 0.03 1 1294 182 124 LEU HB2 H 1.58 0.03 2 1295 182 124 LEU HB3 H 1.67 0.03 2 1296 182 124 LEU HD1 H 0.95 0.03 2 1297 182 124 LEU HD2 H 0.87 0.03 2 1298 182 124 LEU HG H 1.53 0.03 1 1299 182 124 LEU C C 176.01 0.3 1 1300 182 124 LEU CA C 56.0 0.3 1 1301 182 124 LEU CB C 43.1 0.3 1 1302 182 124 LEU CD1 C 25.6 0.3 1 1303 182 124 LEU CD2 C 26.6 0.3 1 1304 182 124 LEU CG C 27.8 0.3 1 1305 182 124 LEU N N 123.54 0.3 1 1306 183 125 GLU H H 8.73 0.03 1 1307 183 125 GLU HA H 4.56 0.03 1 1308 183 125 GLU HB2 H 2.24 0.03 2 1309 183 125 GLU HB3 H 1.88 0.03 2 1310 183 125 GLU HG2 H 2.43 0.03 2 1311 183 125 GLU HG3 H 2.32 0.03 2 1312 183 125 GLU CA C 55.3 0.3 1 1313 183 125 GLU CB C 28.0 0.3 1 1314 183 125 GLU CG C 35.3 0.3 1 1315 183 125 GLU N N 127.5 0.3 1 1316 184 126 GLU H H 8.29 0.03 1 1317 184 126 GLU HA H 3.53 0.03 1 1318 184 126 GLU HB2 H 2.05 0.03 2 1319 184 126 GLU HB3 H 2.18 0.03 2 1320 184 126 GLU HG2 H 2.16 0.03 2 1321 184 126 GLU HG3 H 2.26 0.03 2 1322 184 126 GLU C C 178.5 0.3 1 1323 184 126 GLU CA C 62.0 0.3 1 1324 184 126 GLU CB C 31.2 0.3 1 1325 184 126 GLU CG C 37.7 0.3 1 1326 184 126 GLU N N 127.48 0.3 1 1327 185 127 GLU H H 9.07 0.03 1 1328 185 127 GLU HA H 4.14 0.03 1 1329 185 127 GLU HB2 H 2.17 0.03 2 1330 185 127 GLU HB3 H 2.08 0.03 2 1331 185 127 GLU HG2 H 2.38 0.03 2 1332 185 127 GLU HG3 H 2.31 0.03 2 1333 185 127 GLU C C 177.91 0.3 1 1334 185 127 GLU CA C 60.5 0.3 1 1335 185 127 GLU CB C 29.7 0.3 1 1336 185 127 GLU CG C 37.2 0.3 1 1337 185 127 GLU N N 119.41 0.3 1 1338 186 128 ILE H H 7.82 0.03 1 1339 186 128 ILE HA H 3.98 0.03 1 1340 186 128 ILE HB H 2.01 0.03 1 1341 186 128 ILE HD1 H 0.87 0.03 1 1342 186 128 ILE HG12 H 1.12 0.03 1 1343 186 128 ILE HG13 H 1.8 0.03 1 1344 186 128 ILE HG2 H 1.03 0.03 1 1345 186 128 ILE C C 180.07 0.3 1 1346 186 128 ILE CA C 65.5 0.3 1 1347 186 128 ILE CB C 37.9 0.3 1 1348 186 128 ILE CD1 C 12.9 0.3 1 1349 186 128 ILE CG1 C 28.8 0.3 1 1350 186 128 ILE CG2 C 18.0 0.3 1 1351 186 128 ILE N N 119.5 0.3 1 1352 187 129 CYS H H 8.33 0.03 1 1353 187 129 CYS HA H 3.98 0.03 1 1354 187 129 CYS HB2 H 2.5 0.03 2 1355 187 129 CYS HB3 H 3.0 0.03 2 1356 187 129 CYS C C 177.91 0.3 1 1357 187 129 CYS CA C 65.7 0.3 1 1358 187 129 CYS CB C 27.5 0.3 1 1359 187 129 CYS N N 116.88 0.3 1 1360 188 130 SER H H 8.59 0.03 1 1361 188 130 SER HA H 3.85 0.03 1 1362 188 130 SER HB2 H 3.91 0.03 2 1363 188 130 SER HB3 H 3.91 0.03 2 1364 188 130 SER C C 176.58 0.3 1 1365 188 130 SER CA C 63.3 0.3 1 1366 188 130 SER CB C 63.3 0.3 1 1367 188 130 SER N N 114.35 0.3 1 1368 189 131 GLY H H 7.71 0.03 1 1369 189 131 GLY HA2 H 2.93 0.03 2 1370 189 131 GLY HA3 H 3.52 0.03 2 1371 189 131 GLY C C 175.83 0.3 1 1372 189 131 GLY CA C 47.2 0.3 1 1373 189 131 GLY N N 106.96 0.3 1 1374 190 132 LEU H H 8.34 0.03 1 1375 190 132 LEU HA H 3.99 0.03 1 1376 190 132 LEU HB2 H 1.66 0.03 2 1377 190 132 LEU HB3 H 2.01 0.03 2 1378 190 132 LEU HD1 H 1.05 0.03 2 1379 190 132 LEU HD2 H 1.06 0.03 2 1380 190 132 LEU HG H 1.97 0.03 1 1381 190 132 LEU C C 176.43 0.3 1 1382 190 132 LEU CA C 58.6 0.3 1 1383 190 132 LEU CB C 43.3 0.3 1 1384 190 132 LEU CD1 C 25.7 0.3 1 1385 190 132 LEU CD2 C 25.5 0.3 1 1386 190 132 LEU CG C 28.1 0.3 1 1387 190 132 LEU N N 122.0 0.3 1 1388 191 133 ILE H H 8.37 0.03 1 1389 191 133 ILE HA H 3.89 0.03 1 1390 191 133 ILE HB H 1.99 0.03 1 1391 191 133 ILE HD1 H 0.67 0.03 1 1392 191 133 ILE HG12 H 1.79 0.03 1 1393 191 133 ILE HG13 H 1.09 0.03 1 1394 191 133 ILE HG2 H 0.88 0.03 1 1395 191 133 ILE C C 178.87 0.3 1 1396 191 133 ILE CA C 66.2 0.3 1 1397 191 133 ILE CB C 38.0 0.3 1 1398 191 133 ILE CD1 C 14.9 0.3 1 1399 191 133 ILE CG1 C 29.9 0.3 1 1400 191 133 ILE CG2 C 18.6 0.3 1 1401 191 133 ILE N N 118.79 0.3 1 1402 192 134 GLU H H 7.82 0.03 1 1403 192 134 GLU HA H 3.94 0.03 1 1404 192 134 GLU HB2 H 2.1 0.03 2 1405 192 134 GLU HB3 H 1.99 0.03 2 1406 192 134 GLU HG2 H 2.41 0.03 2 1407 192 134 GLU HG3 H 2.02 0.03 2 1408 192 134 GLU CA C 60.9 0.3 1 1409 192 134 GLU CB C 30.1 0.3 1 1410 192 134 GLU CG C 37.3 0.3 1 1411 192 134 GLU N N 119.5 0.3 1 1412 193 135 GLN H H 8.05 0.03 1 1413 193 135 GLN HA H 4.06 0.03 1 1414 193 135 GLN HB2 H 2.22 0.03 2 1415 193 135 GLN HB3 H 1.92 0.03 2 1416 193 135 GLN HG2 H 2.14 0.03 2 1417 193 135 GLN HG3 H 2.73 0.03 2 1418 193 135 GLN C C 179.0 0.3 1 1419 193 135 GLN CA C 58.0 0.3 1 1420 193 135 GLN CB C 27.0 0.3 1 1421 193 135 GLN CG C 33.5 0.3 1 1422 193 135 GLN N N 114.94 0.3 1 1423 194 136 LEU H H 8.68 0.03 1 1424 194 136 LEU HA H 3.9 0.03 1 1425 194 136 LEU HB2 H 1.82 0.03 2 1426 194 136 LEU HB3 H 1.82 0.03 2 1427 194 136 LEU HD1 H 0.79 0.03 2 1428 194 136 LEU HD2 H 0.79 0.03 2 1429 194 136 LEU HG H 1.51 0.03 1 1430 194 136 LEU C C 180.3 0.3 1 1431 194 136 LEU CA C 58.7 0.3 1 1432 194 136 LEU CB C 42.5 0.3 1 1433 194 136 LEU CD1 C 26.2 0.3 1 1434 194 136 LEU CD2 C 24.2 0.3 1 1435 194 136 LEU CG C 28.4 0.3 1 1436 194 136 LEU N N 121.6 0.3 1 1437 195 137 TYR H H 8.69 0.03 1 1438 195 137 TYR HA H 3.86 0.03 1 1439 195 137 TYR HB2 H 3.21 0.03 2 1440 195 137 TYR HB3 H 3.21 0.03 2 1441 195 137 TYR HD1 H 6.87 0.03 3 1442 195 137 TYR HD2 H 6.87 0.03 3 1443 195 137 TYR HE1 H 6.8 0.03 3 1444 195 137 TYR HE2 H 6.8 0.03 3 1445 195 137 TYR C C 177.77 0.3 1 1446 195 137 TYR CA C 61.9 0.3 1 1447 195 137 TYR CB C 38.9 0.3 1 1448 195 137 TYR CD1 C 132.68 0.3 3 1449 195 137 TYR CD2 C 132.68 0.3 3 1450 195 137 TYR CE1 C 118.68 0.3 3 1451 195 137 TYR CE2 C 118.68 0.3 3 1452 195 137 TYR N N 120.38 0.3 1 1453 196 138 LYS H H 8.06 0.03 1 1454 196 138 LYS HA H 3.75 0.03 1 1455 196 138 LYS HB2 H 1.92 0.03 2 1456 196 138 LYS HB3 H 1.92 0.03 2 1457 196 138 LYS HD2 H 1.61 0.03 2 1458 196 138 LYS HD3 H 1.61 0.03 2 1459 196 138 LYS HE2 H 2.97 0.03 2 1460 196 138 LYS HE3 H 2.97 0.03 2 1461 196 138 LYS HG2 H 1.78 0.03 2 1462 196 138 LYS HG3 H 1.58 0.03 2 1463 196 138 LYS C C 176.3 0.3 1 1464 196 138 LYS CA C 60.2 0.3 1 1465 196 138 LYS CB C 32.5 0.3 1 1466 196 138 LYS CD C 29.7 0.3 1 1467 196 138 LYS CE C 42.8 0.3 1 1468 196 138 LYS CG C 27.1 0.3 1 1469 196 138 LYS N N 120.2 0.3 1 1470 197 139 LEU H H 7.74 0.03 1 1471 197 139 LEU HA H 4.37 0.03 1 1472 197 139 LEU HB2 H 1.64 0.03 2 1473 197 139 LEU HB3 H 1.95 0.03 2 1474 197 139 LEU HD1 H 0.84 0.03 2 1475 197 139 LEU HD2 H 0.81 0.03 2 1476 197 139 LEU HG H 1.35 0.03 1 1477 197 139 LEU C C 178.67 0.3 1 1478 197 139 LEU CA C 58.5 0.3 1 1479 197 139 LEU CB C 42.2 0.3 1 1480 197 139 LEU CD1 C 23.1 0.3 1 1481 197 139 LEU CD2 C 26.5 0.3 1 1482 197 139 LEU CG C 28.3 0.3 1 1483 197 139 LEU N N 121.88 0.3 1 1484 198 140 ILE H H 8.74 0.03 1 1485 198 140 ILE HA H 3.49 0.03 1 1486 198 140 ILE HB H 1.74 0.03 1 1487 198 140 ILE HD1 H 0.24 0.03 1 1488 198 140 ILE HG12 H 0.69 0.03 1 1489 198 140 ILE HG13 H 1.48 0.03 1 1490 198 140 ILE HG2 H 0.82 0.03 1 1491 198 140 ILE C C 180.15 0.3 1 1492 198 140 ILE CA C 66.6 0.3 1 1493 198 140 ILE CB C 38.4 0.3 1 1494 198 140 ILE CD1 C 14.6 0.3 1 1495 198 140 ILE CG1 C 31.2 0.3 1 1496 198 140 ILE CG2 C 17.5 0.3 1 1497 198 140 ILE N N 123.42 0.3 1 1498 199 141 THR H H 8.16 0.03 1 1499 199 141 THR HA H 3.84 0.03 1 1500 199 141 THR HB H 4.0 0.03 1 1501 199 141 THR HG2 H 1.02 0.03 1 1502 199 141 THR C C 177.67 0.3 1 1503 199 141 THR CA C 67.0 0.3 1 1504 199 141 THR CB C 69.0 0.3 1 1505 199 141 THR CG2 C 22.0 0.3 1 1506 199 141 THR N N 114.57 0.3 1 1507 200 142 ALA H H 8.02 0.03 1 1508 200 142 ALA HA H 4.05 0.03 1 1509 200 142 ALA HB H 1.47 0.03 1 1510 200 142 ALA C C 176.89 0.3 1 1511 200 142 ALA CA C 55.8 0.3 1 1512 200 142 ALA CB C 18.2 0.3 1 1513 200 142 ALA N N 123.96 0.3 1 1514 201 143 SER H H 8.43 0.03 1 1515 201 143 SER HA H 3.96 0.03 1 1516 201 143 SER HB2 H 4.1 0.03 2 1517 201 143 SER HB3 H 3.65 0.03 2 1518 201 143 SER C C 180.04 0.3 1 1519 201 143 SER CA C 63.5 0.3 1 1520 201 143 SER CB C 63.5 0.3 1 1521 201 143 SER N N 113.17 0.3 1 1522 202 144 ARG H H 8.45 0.03 1 1523 202 144 ARG HA H 3.41 0.03 1 1524 202 144 ARG HB2 H 2.19 0.03 2 1525 202 144 ARG HB3 H 1.89 0.03 2 1526 202 144 ARG HD2 H 3.07 0.03 2 1527 202 144 ARG HD3 H 3.16 0.03 2 1528 202 144 ARG HG2 H 1.47 0.03 2 1529 202 144 ARG HG3 H 1.47 0.03 2 1530 202 144 ARG C C 177.66 0.3 1 1531 202 144 ARG CA C 60.1 0.3 1 1532 202 144 ARG CB C 29.7 0.3 1 1533 202 144 ARG CD C 43.8 0.3 1 1534 202 144 ARG CG C 27.5 0.3 1 1535 202 144 ARG N N 122.78 0.3 1 1536 203 145 ARG H H 7.46 0.03 1 1537 203 145 ARG HA H 4.03 0.03 1 1538 203 145 ARG HB2 H 1.92 0.03 2 1539 203 145 ARG HB3 H 1.92 0.03 2 1540 203 145 ARG HD2 H 3.14 0.03 2 1541 203 145 ARG HD3 H 3.14 0.03 2 1542 203 145 ARG HG2 H 1.78 0.03 2 1543 203 145 ARG HG3 H 1.67 0.03 2 1544 203 145 ARG C C 178.16 0.3 1 1545 203 145 ARG CA C 59.4 0.3 1 1546 203 145 ARG CB C 30.0 0.3 1 1547 203 145 ARG CD C 43.6 0.3 1 1548 203 145 ARG CG C 27.8 0.3 1 1549 203 145 ARG N N 116.93 0.3 1 1550 204 146 ILE H H 7.82 0.03 1 1551 204 146 ILE HA H 3.68 0.03 1 1552 204 146 ILE HB H 1.86 0.03 1 1553 204 146 ILE HD1 H 0.71 0.03 1 1554 204 146 ILE HG12 H 1.76 0.03 1 1555 204 146 ILE HG13 H 1.02 0.03 1 1556 204 146 ILE HG2 H 0.83 0.03 1 1557 204 146 ILE C C 179.58 0.3 1 1558 204 146 ILE CA C 65.3 0.3 1 1559 204 146 ILE CB C 38.2 0.3 1 1560 204 146 ILE CD1 C 13.6 0.3 1 1561 204 146 ILE CG1 C 29.7 0.3 1 1562 204 146 ILE CG2 C 18.2 0.3 1 1563 204 146 ILE N N 120.2 0.3 1 1564 205 147 LEU H H 8.45 0.03 1 1565 205 147 LEU HA H 3.9 0.03 1 1566 205 147 LEU HB2 H 1.66 0.03 2 1567 205 147 LEU HB3 H 1.28 0.03 2 1568 205 147 LEU HD1 H 0.45 0.03 2 1569 205 147 LEU HD2 H 0.63 0.03 2 1570 205 147 LEU HG H 1.55 0.03 1 1571 205 147 LEU C C 179.16 0.3 1 1572 205 147 LEU CA C 58.7 0.3 1 1573 205 147 LEU CB C 41.8 0.3 1 1574 205 147 LEU CD1 C 25.5 0.3 1 1575 205 147 LEU CD2 C 24.5 0.3 1 1576 205 147 LEU CG C 27.5 0.3 1 1577 205 147 LEU N N 121.4 0.3 1 1578 206 148 GLU H H 8.28 0.03 1 1579 206 148 GLU HA H 4.08 0.03 1 1580 206 148 GLU HB2 H 1.92 0.03 2 1581 206 148 GLU HB3 H 2.08 0.03 2 1582 206 148 GLU HG2 H 2.41 0.03 2 1583 206 148 GLU HG3 H 2.28 0.03 2 1584 206 148 GLU C C 179.73 0.3 1 1585 206 148 GLU CA C 59.1 0.3 1 1586 206 148 GLU CB C 30.0 0.3 1 1587 206 148 GLU CG C 36.9 0.3 1 1588 206 148 GLU N N 118.07 0.3 1 1589 207 149 SER H H 7.59 0.03 1 1590 207 149 SER HA H 4.53 0.03 1 1591 207 149 SER HB2 H 4.11 0.03 2 1592 207 149 SER HB3 H 4.05 0.03 2 1593 207 149 SER C C 178.39 0.3 1 1594 207 149 SER CA C 60.2 0.3 1 1595 207 149 SER CB C 64.4 0.3 1 1596 207 149 SER N N 113.41 0.3 1 1597 208 150 CYS H H 7.62 0.03 1 1598 208 150 CYS HA H 3.88 0.03 1 1599 208 150 CYS HB2 H 2.99 0.03 2 1600 208 150 CYS HB3 H 2.95 0.03 2 1601 208 150 CYS C C 174.88 0.3 1 1602 208 150 CYS CA C 59.4 0.3 1 1603 208 150 CYS CB C 28.1 0.3 1 1604 208 150 CYS N N 119.6 0.3 1 1605 209 151 ALA H H 8.02 0.03 1 1606 209 151 ALA HA H 4.22 0.03 1 1607 209 151 ALA HB H 1.47 0.03 1 1608 209 151 ALA C C 174.91 0.3 1 1609 209 151 ALA CA C 54.3 0.3 1 1610 209 151 ALA CB C 19.4 0.3 1 1611 209 151 ALA N N 126.03 0.3 1 1612 210 152 ASP H H 8.19 0.03 1 1613 210 152 ASP HA H 4.22 0.03 1 1614 210 152 ASP HB2 H 2.74 0.03 2 1615 210 152 ASP HB3 H 2.66 0.03 2 1616 210 152 ASP C C 177.72 0.3 1 1617 210 152 ASP CA C 54.5 0.3 1 1618 210 152 ASP CB C 41.5 0.3 1 1619 210 152 ASP N N 117.57 0.3 1 1620 211 153 SER H H 7.97 0.03 1 1621 211 153 SER C C 176.63 0.3 1 1622 211 153 SER CA C 59.82 0.3 1 1623 211 153 SER N N 115.52 0.3 1 1624 212 154 ASN CA C 53.3 0.3 1 1625 212 154 ASN CB C 39.4 0.3 1 1626 213 155 SER H H 7.76 0.03 1 1627 213 155 SER HA H 4.69 0.03 1 1628 213 155 SER HB2 H 4.04 0.03 2 1629 213 155 SER HB3 H 3.83 0.03 2 1630 213 155 SER C C 175.05 0.3 1 1631 213 155 SER CA C 56.9 0.3 1 1632 213 155 SER CB C 64.2 0.3 1 1633 213 155 SER N N 116.29 0.3 1 1634 214 156 PRO HA H 4.37 0.03 1 1635 214 156 PRO HB2 H 2.33 0.03 2 1636 214 156 PRO HB3 H 1.79 0.03 2 1637 214 156 PRO HD2 H 3.96 0.03 2 1638 214 156 PRO HD3 H 3.83 0.03 2 1639 214 156 PRO HG2 H 1.9 0.03 2 1640 214 156 PRO HG3 H 2.01 0.03 2 1641 214 156 PRO CA C 65.2 0.3 1 1642 214 156 PRO CB C 32.3 0.3 1 1643 214 156 PRO CD C 51.3 0.3 1 1644 214 156 PRO CG C 27.8 0.3 1 1645 215 157 TYR H H 7.66 0.03 1 1646 215 157 TYR HA H 4.48 0.03 1 1647 215 157 TYR HB2 H 2.97 0.03 2 1648 215 157 TYR HB3 H 3.05 0.03 2 1649 215 157 TYR HD1 H 7.07 0.03 3 1650 215 157 TYR HD2 H 7.07 0.03 3 1651 215 157 TYR HE1 H 6.8 0.03 3 1652 215 157 TYR HE2 H 6.8 0.03 3 1653 215 157 TYR C C 177.91 0.3 1 1654 215 157 TYR CA C 59.76 0.3 1 1655 215 157 TYR CB C 38.73 0.3 1 1656 215 157 TYR CD1 C 133.18 0.3 3 1657 215 157 TYR CD2 C 133.18 0.3 3 1658 215 157 TYR CE1 C 118.18 0.3 3 1659 215 157 TYR CE2 C 118.18 0.3 3 1660 215 157 TYR N N 115.55 0.3 1 1661 216 158 ILE H H 7.23 0.03 1 1662 216 158 ILE HA H 3.82 0.03 1 1663 216 158 ILE HB H 1.86 0.03 1 1664 216 158 ILE HD1 H 0.76 0.03 1 1665 216 158 ILE HG12 H 1.32 0.03 1 1666 216 158 ILE HG2 H 0.81 0.03 1 1667 216 158 ILE C C 177.56 0.3 1 1668 216 158 ILE CA C 62.5 0.3 1 1669 216 158 ILE CB C 37.6 0.3 1 1670 216 158 ILE CD1 C 12.7 0.3 1 1671 216 158 ILE CG1 C 28.9 0.3 1 1672 216 158 ILE CG2 C 18.1 0.3 1 1673 216 158 ILE N N 119.63 0.3 1 1674 217 159 HIS H H 7.88 0.03 1 1675 217 159 HIS HA H 4.23 0.03 1 1676 217 159 HIS HB2 H 3.08 0.03 2 1677 217 159 HIS HB3 H 3.08 0.03 2 1678 217 159 HIS HD2 H 6.82 0.03 4 1679 217 159 HIS HE1 H 7.73 0.03 4 1680 217 159 HIS C C 176.8 0.3 1 1681 217 159 HIS CA C 60.2 0.3 1 1682 217 159 HIS CB C 30.6 0.3 1 1683 217 159 HIS CD2 C 118.88 0.3 1 1684 217 159 HIS CE1 C 138.68 0.3 1 1685 217 159 HIS N N 120.71 0.3 1 1686 218 160 HIS H H 7.72 0.03 1 1687 218 160 HIS HA H 4.39 0.03 1 1688 218 160 HIS HB2 H 3.22 0.03 2 1689 218 160 HIS HB3 H 3.27 0.03 2 1690 218 160 HIS HD2 H 7.04 0.03 4 1691 218 160 HIS HE1 H 7.93 0.03 4 1692 218 160 HIS C C 178.06 0.3 1 1693 218 160 HIS CA C 59.3 0.3 1 1694 218 160 HIS CB C 30.2 0.3 1 1695 218 160 HIS CD2 C 120.28 0.3 1 1696 218 160 HIS CE1 C 138.38 0.3 1 1697 218 160 HIS N N 118.18 0.3 1 1698 219 161 LEU H H 7.79 0.03 1 1699 219 161 LEU HA H 4.12 0.03 1 1700 219 161 LEU HB2 H 1.32 0.03 2 1701 219 161 LEU HB3 H 1.91 0.03 2 1702 219 161 LEU HD1 H 0.83 0.03 2 1703 219 161 LEU HD2 H 0.93 0.03 2 1704 219 161 LEU HG H 1.73 0.03 1 1705 219 161 LEU C C 177.84 0.3 1 1706 219 161 LEU CA C 58.25 0.3 1 1707 219 161 LEU CB C 43.4 0.3 1 1708 219 161 LEU CD1 C 26.5 0.3 1 1709 219 161 LEU CD2 C 24.6 0.3 1 1710 219 161 LEU CG C 27.1 0.3 1 1711 219 161 LEU N N 120.19 0.3 1 1712 220 162 ARG H H 8.36 0.03 1 1713 220 162 ARG HA H 3.91 0.03 1 1714 220 162 ARG HB2 H 1.94 0.03 2 1715 220 162 ARG HB3 H 1.94 0.03 2 1716 220 162 ARG HD2 H 3.14 0.03 2 1717 220 162 ARG HD3 H 3.14 0.03 2 1718 220 162 ARG HG2 H 1.82 0.03 2 1719 220 162 ARG HG3 H 1.6 0.03 2 1720 220 162 ARG C C 178.98 0.3 1 1721 220 162 ARG CA C 60.6 0.3 1 1722 220 162 ARG CB C 30.1 0.3 1 1723 220 162 ARG CD C 44.1 0.3 1 1724 220 162 ARG CG C 29.0 0.3 1 1725 220 162 ARG N N 117.56 0.3 1 1726 221 163 ASN H H 7.81 0.03 1 1727 221 163 ASN HA H 4.48 0.03 1 1728 221 163 ASN HB2 H 2.98 0.03 2 1729 221 163 ASN HB3 H 2.91 0.03 2 1730 221 163 ASN HD21 H 7.61 0.03 2 1731 221 163 ASN HD22 H 6.63 0.03 2 1732 221 163 ASN C C 179.07 0.3 1 1733 221 163 ASN CA C 56.7 0.3 1 1734 221 163 ASN CB C 38.4 0.3 1 1735 221 163 ASN N N 119.09 0.3 1 1736 221 163 ASN ND2 N 111.9 0.3 1 1737 222 164 ASP H H 8.3 0.03 1 1738 222 164 ASP HA H 4.43 0.03 1 1739 222 164 ASP HB2 H 2.88 0.03 2 1740 222 164 ASP HB3 H 2.47 0.03 2 1741 222 164 ASP C C 177.51 0.3 1 1742 222 164 ASP CA C 57.3 0.3 1 1743 222 164 ASP CB C 41.2 0.3 1 1744 222 164 ASP N N 122.2 0.3 1 1745 223 165 TYR H H 8.63 0.03 1 1746 223 165 TYR HA H 4.01 0.03 1 1747 223 165 TYR HB2 H 3.21 0.03 2 1748 223 165 TYR HB3 H 2.9 0.03 2 1749 223 165 TYR HD1 H 6.94 0.03 3 1750 223 165 TYR HD2 H 6.94 0.03 3 1751 223 165 TYR HE1 H 6.89 0.03 3 1752 223 165 TYR HE2 H 6.89 0.03 3 1753 223 165 TYR C C 178.72 0.3 1 1754 223 165 TYR CA C 62.5 0.3 1 1755 223 165 TYR CB C 39.0 0.3 1 1756 223 165 TYR CD1 C 132.38 0.3 3 1757 223 165 TYR CD2 C 132.38 0.3 3 1758 223 165 TYR CE1 C 117.98 0.3 3 1759 223 165 TYR CE2 C 117.98 0.3 3 1760 223 165 TYR N N 121.64 0.3 1 1761 224 166 GLN H H 8.24 0.03 1 1762 224 166 GLN HA H 3.81 0.03 1 1763 224 166 GLN HB2 H 2.25 0.03 2 1764 224 166 GLN HB3 H 2.31 0.03 2 1765 224 166 GLN HE21 H 7.48 0.03 2 1766 224 166 GLN HE22 H 6.86 0.03 2 1767 224 166 GLN HG2 H 2.61 0.03 2 1768 224 166 GLN HG3 H 2.61 0.03 2 1769 224 166 GLN C C 176.08 0.3 1 1770 224 166 GLN CA C 59.3 0.3 1 1771 224 166 GLN CB C 28.3 0.3 1 1772 224 166 GLN CG C 34.7 0.3 1 1773 224 166 GLN N N 119.02 0.3 1 1774 224 166 GLN NE2 N 110.8 0.3 1 1775 225 167 ASP H H 8.18 0.03 1 1776 225 167 ASP HA H 4.42 0.03 1 1777 225 167 ASP HB2 H 2.68 0.03 2 1778 225 167 ASP HB3 H 2.87 0.03 2 1779 225 167 ASP C C 178.65 0.3 1 1780 225 167 ASP CA C 57.7 0.3 1 1781 225 167 ASP CB C 41.3 0.3 1 1782 225 167 ASP N N 120.2 0.3 1 1783 226 168 LEU H H 7.86 0.03 1 1784 226 168 LEU HA H 3.99 0.03 1 1785 226 168 LEU HB2 H 2.07 0.03 2 1786 226 168 LEU HB3 H 1.41 0.03 2 1787 226 168 LEU HD1 H 0.77 0.03 2 1788 226 168 LEU HD2 H 0.76 0.03 2 1789 226 168 LEU HG H 1.32 0.03 1 1790 226 168 LEU C C 178.36 0.3 1 1791 226 168 LEU CA C 58.9 0.3 1 1792 226 168 LEU CB C 41.7 0.3 1 1793 226 168 LEU CD1 C 27.3 0.3 1 1794 226 168 LEU CD2 C 23.9 0.3 1 1795 226 168 LEU CG C 27.8 0.3 1 1796 226 168 LEU N N 122.03 0.3 1 1797 227 169 LEU H H 8.42 0.03 1 1798 227 169 LEU HA H 3.87 0.03 1 1799 227 169 LEU HB2 H 1.3 0.03 2 1800 227 169 LEU HB3 H 1.65 0.03 2 1801 227 169 LEU HD1 H 0.91 0.03 2 1802 227 169 LEU HD2 H 0.86 0.03 2 1803 227 169 LEU HG H 1.45 0.03 1 1804 227 169 LEU C C 177.59 0.3 1 1805 227 169 LEU CA C 59.0 0.3 1 1806 227 169 LEU CB C 42.0 0.3 1 1807 227 169 LEU CD1 C 24.5 0.3 1 1808 227 169 LEU CD2 C 25.3 0.3 1 1809 227 169 LEU CG C 27.3 0.3 1 1810 227 169 LEU N N 119.7 0.3 1 1811 228 170 GLN H H 8.25 0.03 1 1812 228 170 GLN HA H 4.14 0.03 1 1813 228 170 GLN HB2 H 2.22 0.03 2 1814 228 170 GLN HB3 H 2.26 0.03 2 1815 228 170 GLN HE21 H 7.4 0.03 2 1816 228 170 GLN HE22 H 6.82 0.03 2 1817 228 170 GLN HG2 H 2.56 0.03 2 1818 228 170 GLN HG3 H 2.44 0.03 2 1819 228 170 GLN C C 179.28 0.3 1 1820 228 170 GLN CA C 59.5 0.3 1 1821 228 170 GLN CB C 28.9 0.3 1 1822 228 170 GLN CG C 34.8 0.3 1 1823 228 170 GLN N N 117.38 0.3 1 1824 228 170 GLN NE2 N 111.4 0.3 1 1825 229 171 GLU H H 7.86 0.03 1 1826 229 171 GLU HA H 4.14 0.03 1 1827 229 171 GLU HB2 H 2.14 0.03 2 1828 229 171 GLU HB3 H 2.14 0.03 2 1829 229 171 GLU HG2 H 2.24 0.03 2 1830 229 171 GLU HG3 H 2.37 0.03 2 1831 229 171 GLU C C 178.72 0.3 1 1832 229 171 GLU CA C 59.5 0.3 1 1833 229 171 GLU CB C 29.8 0.3 1 1834 229 171 GLU CG C 36.2 0.3 1 1835 229 171 GLU N N 119.5 0.3 1 1836 230 172 PHE H H 8.84 0.03 1 1837 230 172 PHE HA H 4.58 0.03 1 1838 230 172 PHE HB2 H 3.29 0.03 2 1839 230 172 PHE HB3 H 3.14 0.03 2 1840 230 172 PHE HD1 H 7.13 0.03 3 1841 230 172 PHE HD2 H 7.13 0.03 3 1842 230 172 PHE HE1 H 7.08 0.03 3 1843 230 172 PHE HE2 H 7.08 0.03 3 1844 230 172 PHE HZ H 7.24 0.03 1 1845 230 172 PHE C C 180.16 0.3 1 1846 230 172 PHE CA C 60.1 0.3 1 1847 230 172 PHE CB C 40.1 0.3 1 1848 230 172 PHE CD1 C 131.68 0.3 3 1849 230 172 PHE CD2 C 131.68 0.3 3 1850 230 172 PHE CE1 C 130.98 0.3 3 1851 230 172 PHE CE2 C 130.98 0.3 3 1852 230 172 PHE CZ C 129.18 0.3 1 1853 230 172 PHE N N 122.55 0.3 1 1854 231 173 GLN H H 8.65 0.03 1 1855 231 173 GLN HA H 3.62 0.03 1 1856 231 173 GLN HB2 H 2.43 0.03 2 1857 231 173 GLN HB3 H 1.96 0.03 2 1858 231 173 GLN HE21 H 6.96 0.03 2 1859 231 173 GLN HE22 H 6.85 0.03 2 1860 231 173 GLN HG2 H 2.77 0.03 2 1861 231 173 GLN HG3 H 2.33 0.03 2 1862 231 173 GLN C C 177.15 0.3 1 1863 231 173 GLN CA C 60.3 0.3 1 1864 231 173 GLN CB C 28.8 0.3 1 1865 231 173 GLN CG C 35.0 0.3 1 1866 231 173 GLN N N 116.92 0.3 1 1867 231 173 GLN NE2 N 112.8 0.3 1 1868 232 174 ILE H H 7.6 0.03 1 1869 232 174 ILE HA H 3.57 0.03 1 1870 232 174 ILE HB H 1.91 0.03 1 1871 232 174 ILE HD1 H 0.86 0.03 1 1872 232 174 ILE HG12 H 1.13 0.03 1 1873 232 174 ILE HG13 H 1.81 0.03 1 1874 232 174 ILE HG2 H 0.73 0.03 1 1875 232 174 ILE CA C 65.8 0.3 1 1876 232 174 ILE CB C 38.2 0.3 1 1877 232 174 ILE CD1 C 13.7 0.3 1 1878 232 174 ILE CG1 C 29.3 0.3 1 1879 232 174 ILE CG2 C 16.9 0.3 1 1880 232 174 ILE N N 118.33 0.3 1 1881 233 175 SER H H 7.31 0.03 1 1882 233 175 SER HA H 4.2 0.03 1 1883 233 175 SER HB2 H 3.95 0.03 2 1884 233 175 SER HB3 H 3.5 0.03 2 1885 233 175 SER C C 178.82 0.3 1 1886 233 175 SER CA C 63.2 0.3 1 1887 233 175 SER CB C 63.2 0.3 1 1888 233 175 SER N N 115.98 0.3 1 1889 234 176 LEU H H 8.02 0.03 1 1890 234 176 LEU HA H 3.73 0.03 1 1891 234 176 LEU HB2 H 1.11 0.03 2 1892 234 176 LEU HB3 H 1.59 0.03 2 1893 234 176 LEU HD1 H 0.36 0.03 2 1894 234 176 LEU HD2 H 0.44 0.03 2 1895 234 176 LEU HG H 1.16 0.03 1 1896 234 176 LEU C C 175.7 0.3 1 1897 234 176 LEU CA C 58.7 0.3 1 1898 234 176 LEU CB C 41.6 0.3 1 1899 234 176 LEU CD1 C 26.1 0.3 1 1900 234 176 LEU CD2 C 23.2 0.3 1 1901 234 176 LEU CG C 26.5 0.3 1 1902 234 176 LEU N N 120.44 0.3 1 1903 235 177 LYS H H 7.96 0.03 1 1904 235 177 LYS HA H 3.78 0.03 1 1905 235 177 LYS HB2 H 1.65 0.03 2 1906 235 177 LYS HB3 H 1.67 0.03 2 1907 235 177 LYS HD2 H 1.36 0.03 2 1908 235 177 LYS HD3 H 1.36 0.03 2 1909 235 177 LYS HE2 H 2.96 0.03 2 1910 235 177 LYS HE3 H 2.96 0.03 2 1911 235 177 LYS HG2 H 1.07 0.03 2 1912 235 177 LYS HG3 H 1.15 0.03 2 1913 235 177 LYS C C 179.97 0.3 1 1914 235 177 LYS CA C 60.9 0.3 1 1915 235 177 LYS CB C 32.7 0.3 1 1916 235 177 LYS CD C 30.1 0.3 1 1917 235 177 LYS CE C 42.4 0.3 1 1918 235 177 LYS CG C 25.3 0.3 1 1919 235 177 LYS N N 121.68 0.3 1 1920 236 178 ILE H H 7.64 0.03 1 1921 236 178 ILE HA H 3.7 0.03 1 1922 236 178 ILE HB H 1.99 0.03 1 1923 236 178 ILE HD1 H 0.84 0.03 1 1924 236 178 ILE HG12 H 1.09 0.03 1 1925 236 178 ILE HG13 H 1.81 0.03 1 1926 236 178 ILE HG2 H 0.89 0.03 1 1927 236 178 ILE C C 178.24 0.3 1 1928 236 178 ILE CA C 65.6 0.3 1 1929 236 178 ILE CB C 38.9 0.3 1 1930 236 178 ILE CD1 C 14.2 0.3 1 1931 236 178 ILE CG1 C 29.1 0.3 1 1932 236 178 ILE CG2 C 18.0 0.3 1 1933 236 178 ILE N N 119.04 0.3 1 1934 237 179 LEU H H 8.49 0.03 1 1935 237 179 LEU HA H 4.03 0.03 1 1936 237 179 LEU HB2 H 1.37 0.03 2 1937 237 179 LEU HB3 H 1.88 0.03 2 1938 237 179 LEU HD1 H 0.81 0.03 2 1939 237 179 LEU HD2 H 0.95 0.03 2 1940 237 179 LEU HG H 2.1 0.03 1 1941 237 179 LEU C C 179.44 0.3 1 1942 237 179 LEU CA C 58.5 0.3 1 1943 237 179 LEU CB C 42.1 0.3 1 1944 237 179 LEU CD1 C 27.0 0.3 1 1945 237 179 LEU CD2 C 23.5 0.3 1 1946 237 179 LEU CG C 27.0 0.3 1 1947 237 179 LEU N N 118.33 0.3 1 1948 238 180 THR H H 8.41 0.03 1 1949 238 180 THR HA H 3.63 0.03 1 1950 238 180 THR HB H 4.52 0.03 1 1951 238 180 THR HG2 H 1.15 0.03 1 1952 238 180 THR CA C 69.0 0.3 1 1953 238 180 THR CB C 68.5 0.3 1 1954 238 180 THR CG2 C 22.2 0.3 1 1955 238 180 THR N N 119.51 0.3 1 1956 239 181 GLU H H 7.69 0.03 1 1957 239 181 GLU HA H 3.89 0.03 1 1958 239 181 GLU HB2 H 2.18 0.03 2 1959 239 181 GLU HB3 H 2.1 0.03 2 1960 239 181 GLU HG2 H 2.47 0.03 2 1961 239 181 GLU HG3 H 2.34 0.03 2 1962 239 181 GLU C C 176.33 0.3 1 1963 239 181 GLU CA C 60.4 0.3 1 1964 239 181 GLU CB C 29.2 0.3 1 1965 239 181 GLU CG C 36.8 0.3 1 1966 239 181 GLU N N 119.5 0.3 1 1967 240 182 LYS H H 8.11 0.03 1 1968 240 182 LYS HA H 4.07 0.03 1 1969 240 182 LYS HB2 H 2.03 0.03 2 1970 240 182 LYS HB3 H 1.77 0.03 2 1971 240 182 LYS HD2 H 1.6 0.03 2 1972 240 182 LYS HD3 H 1.74 0.03 2 1973 240 182 LYS HE2 H 2.96 0.03 2 1974 240 182 LYS HE3 H 2.96 0.03 2 1975 240 182 LYS HG2 H 1.6 0.03 2 1976 240 182 LYS HG3 H 1.6 0.03 2 1977 240 182 LYS CA C 59.8 0.3 1 1978 240 182 LYS CB C 32.4 0.3 1 1979 240 182 LYS CD C 29.4 0.3 1 1980 240 182 LYS CE C 42.6 0.3 1 1981 240 182 LYS CG C 25.8 0.3 1 1982 240 182 LYS N N 118.95 0.3 1 1983 241 183 CYS H H 8.24 0.03 1 1984 241 183 CYS HA H 4.02 0.03 1 1985 241 183 CYS HB2 H 3.07 0.03 2 1986 241 183 CYS HB3 H 2.84 0.03 2 1987 241 183 CYS C C 180.02 0.3 1 1988 241 183 CYS CA C 64.9 0.3 1 1989 241 183 CYS CB C 27.8 0.3 1 1990 241 183 CYS N N 118.89 0.3 1 1991 242 184 LEU H H 7.8 0.03 1 1992 242 184 LEU HA H 4.05 0.03 1 1993 242 184 LEU HB2 H 1.84 0.03 2 1994 242 184 LEU HB3 H 1.44 0.03 2 1995 242 184 LEU HD1 H 0.72 0.03 2 1996 242 184 LEU HD2 H 0.91 0.03 2 1997 242 184 LEU HG H 1.67 0.03 1 1998 242 184 LEU C C 176.99 0.3 1 1999 242 184 LEU CA C 57.3 0.3 1 2000 242 184 LEU CB C 42.6 0.3 1 2001 242 184 LEU CD1 C 26.2 0.3 1 2002 242 184 LEU CD2 C 24.4 0.3 1 2003 242 184 LEU CG C 27.6 0.3 1 2004 242 184 LEU N N 117.82 0.3 1 2005 243 185 GLU H H 7.62 0.03 1 2006 243 185 GLU HA H 4.13 0.03 1 2007 243 185 GLU HB2 H 2.1 0.03 2 2008 243 185 GLU HB3 H 2.1 0.03 2 2009 243 185 GLU HG2 H 2.28 0.03 2 2010 243 185 GLU HG3 H 2.47 0.03 2 2011 243 185 GLU C C 178.92 0.3 1 2012 243 185 GLU CA C 58.5 0.3 1 2013 243 185 GLU CB C 30.9 0.3 1 2014 243 185 GLU CG C 36.9 0.3 1 2015 243 185 GLU N N 118.06 0.3 1 2016 244 186 ASN H H 7.22 0.03 1 2017 244 186 ASN HA H 5.12 0.03 1 2018 244 186 ASN HB2 H 2.91 0.03 2 2019 244 186 ASN HB3 H 2.66 0.03 2 2020 244 186 ASN HD21 H 7.79 0.03 2 2021 244 186 ASN HD22 H 7.04 0.03 2 2022 244 186 ASN C C 176.91 0.3 1 2023 244 186 ASN CA C 51.8 0.3 1 2024 244 186 ASN CB C 39.8 0.3 1 2025 244 186 ASN N N 114.42 0.3 1 2026 244 186 ASN ND2 N 113.77 0.3 1 2027 245 187 PRO HA H 4.42 0.03 1 2028 245 187 PRO HB2 H 2.25 0.03 2 2029 245 187 PRO HB3 H 1.9 0.03 2 2030 245 187 PRO HD2 H 3.5 0.03 2 2031 245 187 PRO HD3 H 3.65 0.03 2 2032 245 187 PRO HG2 H 1.98 0.03 2 2033 245 187 PRO HG3 H 1.98 0.03 2 2034 245 187 PRO CA C 65.7 0.3 1 2035 245 187 PRO CB C 32.3 0.3 1 2036 245 187 PRO CD C 50.6 0.3 1 2037 245 187 PRO CG C 27.6 0.3 1 2038 246 188 SER H H 8.11 0.03 1 2039 246 188 SER HA H 4.39 0.03 1 2040 246 188 SER HB2 H 3.97 0.03 2 2041 246 188 SER HB3 H 3.93 0.03 2 2042 246 188 SER C C 179.01 0.3 1 2043 246 188 SER CA C 60.6 0.3 1 2044 246 188 SER CB C 63.6 0.3 1 2045 246 188 SER N N 111.32 0.3 1 2046 247 189 SER H H 7.58 0.03 1 2047 247 189 SER HA H 4.03 0.03 1 2048 247 189 SER HB2 H 3.86 0.03 2 2049 247 189 SER HB3 H 3.9 0.03 2 2050 247 189 SER C C 175.55 0.3 1 2051 247 189 SER CA C 59.32 0.3 1 2052 247 189 SER CB C 64.8 0.3 1 2053 247 189 SER N N 115.79 0.3 1 2054 248 190 LEU H H 7.54 0.03 1 2055 248 190 LEU HA H 4.99 0.03 1 2056 248 190 LEU HB2 H 1.74 0.03 2 2057 248 190 LEU HB3 H 1.86 0.03 2 2058 248 190 LEU HD1 H 0.93 0.03 2 2059 248 190 LEU HD2 H 0.93 0.03 2 2060 248 190 LEU CA C 54.4 0.3 1 2061 248 190 LEU CB C 42.0 0.3 1 2062 248 190 LEU CD1 C 27.1 0.3 1 2063 248 190 LEU CD2 C 24.3 0.3 1 2064 248 190 LEU N N 121.85 0.3 1 2065 249 191 GLN H H 8.37 0.03 1 2066 249 191 GLN HA H 3.99 0.03 1 2067 249 191 GLN HB2 H 2.08 0.03 2 2068 249 191 GLN HB3 H 2.12 0.03 2 2069 249 191 GLN HE21 H 7.49 0.03 2 2070 249 191 GLN HE22 H 6.72 0.03 2 2071 249 191 GLN HG2 H 2.4 0.03 2 2072 249 191 GLN HG3 H 2.4 0.03 2 2073 249 191 GLN C C 178.69 0.3 1 2074 249 191 GLN CA C 60.3 0.3 1 2075 249 191 GLN CB C 29.7 0.3 1 2076 249 191 GLN CG C 34.9 0.3 1 2077 249 191 GLN N N 121.38 0.3 1 2078 249 191 GLN NE2 N 111.4 0.3 1 2079 250 192 ASN H H 8.84 0.03 1 2080 250 192 ASN HA H 4.54 0.03 1 2081 250 192 ASN HB2 H 2.7 0.03 2 2082 250 192 ASN HB3 H 2.7 0.03 2 2083 250 192 ASN HD21 H 7.79 0.03 2 2084 250 192 ASN HD22 H 6.88 0.03 2 2085 250 192 ASN C C 178.59 0.3 1 2086 250 192 ASN CA C 56.7 0.3 1 2087 250 192 ASN CB C 38.7 0.3 1 2088 250 192 ASN N N 119.97 0.3 1 2089 250 192 ASN ND2 N 113.6 0.3 1 2090 251 193 LEU H H 9.58 0.03 1 2091 251 193 LEU HA H 4.11 0.03 1 2092 251 193 LEU HB2 H 1.86 0.03 2 2093 251 193 LEU HB3 H 1.57 0.03 2 2094 251 193 LEU HD1 H 0.87 0.03 2 2095 251 193 LEU HD2 H 0.93 0.03 2 2096 251 193 LEU HG H 1.54 0.03 1 2097 251 193 LEU C C 178.73 0.3 1 2098 251 193 LEU CA C 58.2 0.3 1 2099 251 193 LEU CB C 42.7 0.3 1 2100 251 193 LEU CD1 C 24.0 0.3 1 2101 251 193 LEU CD2 C 28.1 0.3 1 2102 251 193 LEU CG C 27.9 0.3 1 2103 251 193 LEU N N 125.36 0.3 1 2104 252 194 SER H H 8.3 0.03 1 2105 252 194 SER HA H 4.13 0.03 1 2106 252 194 SER HB2 H 4.01 0.03 2 2107 252 194 SER HB3 H 3.71 0.03 2 2108 252 194 SER C C 178.18 0.3 1 2109 252 194 SER CA C 63.5 0.3 1 2110 252 194 SER CB C 63.7 0.3 1 2111 252 194 SER N N 114.58 0.3 1 2112 253 195 LEU H H 7.34 0.03 1 2113 253 195 LEU HA H 4.03 0.03 1 2114 253 195 LEU HB2 H 1.7 0.03 2 2115 253 195 LEU HB3 H 1.84 0.03 2 2116 253 195 LEU HD1 H 0.86 0.03 2 2117 253 195 LEU HD2 H 0.87 0.03 2 2118 253 195 LEU HG H 1.72 0.03 1 2119 253 195 LEU C C 175.25 0.3 1 2120 253 195 LEU CA C 58.0 0.3 1 2121 253 195 LEU CB C 41.8 0.3 1 2122 253 195 LEU CD1 C 24.7 0.3 1 2123 253 195 LEU CD2 C 25.0 0.3 1 2124 253 195 LEU CG C 27.4 0.3 1 2125 253 195 LEU N N 120.66 0.3 1 2126 254 196 THR H H 8.12 0.03 1 2127 254 196 THR HA H 3.79 0.03 1 2128 254 196 THR HB H 4.36 0.03 1 2129 254 196 THR HG2 H 1.2 0.03 1 2130 254 196 THR CA C 67.8 0.3 1 2131 254 196 THR CB C 69.0 0.3 1 2132 254 196 THR CG2 C 21.7 0.3 1 2133 254 196 THR N N 119.19 0.3 1 2134 255 197 LEU H H 8.32 0.03 1 2135 255 197 LEU HA H 3.8 0.03 1 2136 255 197 LEU HB2 H 1.2 0.03 2 2137 255 197 LEU HB3 H 2.02 0.03 2 2138 255 197 LEU HD1 H 0.84 0.03 2 2139 255 197 LEU HD2 H 0.72 0.03 2 2140 255 197 LEU HG H 1.74 0.03 1 2141 255 197 LEU CA C 59.3 0.3 1 2142 255 197 LEU CB C 42.3 0.3 1 2143 255 197 LEU CD1 C 27.5 0.3 1 2144 255 197 LEU CD2 C 24.0 0.3 1 2145 255 197 LEU CG C 27.3 0.3 1 2146 255 197 LEU N N 120.68 0.3 1 2147 256 198 VAL H H 7.82 0.03 1 2148 256 198 VAL HA H 3.82 0.03 1 2149 256 198 VAL HB H 2.25 0.03 1 2150 256 198 VAL HG1 H 1.04 0.03 2 2151 256 198 VAL HG2 H 0.97 0.03 2 2152 256 198 VAL CA C 65.3 0.3 1 2153 256 198 VAL CB C 31.5 0.3 1 2154 256 198 VAL CG1 C 22.1 0.3 1 2155 256 198 VAL CG2 C 22.9 0.3 1 2156 256 198 VAL N N 111.8 0.3 1 2157 257 199 SER H H 7.82 0.03 1 2158 257 199 SER HA H 4.22 0.03 1 2159 257 199 SER HB2 H 4.01 0.03 2 2160 257 199 SER HB3 H 3.92 0.03 2 2161 257 199 SER C C 177.25 0.3 1 2162 257 199 SER CA C 61.6 0.3 1 2163 257 199 SER CB C 63.5 0.3 1 2164 257 199 SER N N 115.05 0.3 1 2165 258 200 ILE H H 7.32 0.03 1 2166 258 200 ILE HA H 3.83 0.03 1 2167 258 200 ILE HB H 1.47 0.03 1 2168 258 200 ILE HD1 H 0.62 0.03 1 2169 258 200 ILE HG12 H 1.01 0.03 1 2170 258 200 ILE HG13 H 1.44 0.03 1 2171 258 200 ILE HG2 H 0.4 0.03 1 2172 258 200 ILE C C 175.38 0.3 1 2173 258 200 ILE CA C 63.2 0.3 1 2174 258 200 ILE CB C 38.9 0.3 1 2175 258 200 ILE CD1 C 14.8 0.3 1 2176 258 200 ILE CG1 C 27.5 0.3 1 2177 258 200 ILE CG2 C 17.3 0.3 1 2178 258 200 ILE N N 117.18 0.3 1 2179 259 201 ILE H H 7.574 0.03 1 2180 259 201 ILE N N 119.98 0.3 1 2181 261 203 THR H H 7.99 0.03 1 2182 261 203 THR HA H 4.29 0.03 1 2183 261 203 THR HB H 4.23 0.03 1 2184 261 203 THR HG2 H 1.04 0.03 1 2185 261 203 THR C C 176.46 0.3 1 2186 261 203 THR CA C 61.9 0.3 1 2187 261 203 THR CB C 70.4 0.3 1 2188 261 203 THR CG2 C 22.1 0.3 1 2189 261 203 THR N N 114.36 0.3 1 2190 262 204 ALA H H 7.75 0.03 1 2191 262 204 ALA HA H 4.13 0.03 1 2192 262 204 ALA HB H 1.33 0.03 1 2193 262 204 ALA C C 173.52 0.3 1 2194 262 204 ALA CA C 54.3 0.3 1 2195 262 204 ALA CB C 20.9 0.3 1 2196 262 204 ALA N N 130.35 0.3 1 stop_ loop_ _Atom_shift_assign_ID_ambiguity 624 625 '1210,1211' '1678,1679' '1690,1691' stop_ save_