data_17479 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Structure of the human Shwachman-Bodian-Diamond syndrome (SBDS) protein ; _BMRB_accession_number 17479 _BMRB_flat_file_name bmr17479.str _Entry_type original _Submission_date 2011-02-21 _Accession_date 2011-02-21 _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 Hilcenko Christine . . 2 Freund Stefan M.V. . 3 Warren Alan J. . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 1350 "13C chemical shifts" 953 "15N chemical shifts" 248 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2011-05-05 original author . stop_ _Original_release_date 2011-05-05 save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title 'Uncoupling of GTP hydrolysis from eIF6 release on the ribosome causes Shwachman-Diamond syndrome.' _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 21536732 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Finch Andrew J. . 2 Hilcenko Christine . . 3 Basse Nicolas . . 4 Drynan Lesley F. . 5 Goyenechea Beatriz . . 6 Menne Tobias F. . 7 'Gonzalez Fernandez' Africa . . 8 Simpson Paul . . 9 Arends Clive S. . 10 Donadieu Mark J. . 11 Bellanne-Chantelot Jean . . 12 Costanzo Christine . . 13 Boone Michael . . 14 McKenzie Charles . . 15 Freund Andrew N. . 16 Warren Stefan M.V. . stop_ _Journal_abbreviation 'Genes Dev.' _Journal_name_full 'Genes & development' _Journal_volume 25 _Journal_issue 9 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 917 _Page_last 929 _Year 2011 _Details . save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name human_SBDS _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label human_SBDS $human_SBDS 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_human_SBDS _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common human_SBDS _Molecular_mass 28813.812 _Mol_thiol_state 'all free' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 252 _Mol_residue_sequence ; GSMSIFTPTNQIRLTNVAVV RMKRAGKRFEIACYKNKVVG WRSGVEKDLDEVLQTHSVFV NVSKGQVAKKEDLISAFGTD DQTEICKQILTKGEVQVSDK ERHTQLEQMFRDIATIVADK CVNPETKRPYTVILIERAMK DIHYSVKTNKSTKQQALEVI KQLKEKMKIERAHMRLRFIL PVNEGKKLKEKLKPLIKVIE SEDYGQQLEIVCLIDPGCFR EIDELIKKETKGKGSLEVLN LKDVEEGDEKFE ; loop_ _Residue_seq_code _Residue_author_seq_code _Residue_label 1 -1 GLY 2 0 SER 3 1 MET 4 2 SER 5 3 ILE 6 4 PHE 7 5 THR 8 6 PRO 9 7 THR 10 8 ASN 11 9 GLN 12 10 ILE 13 11 ARG 14 12 LEU 15 13 THR 16 14 ASN 17 15 VAL 18 16 ALA 19 17 VAL 20 18 VAL 21 19 ARG 22 20 MET 23 21 LYS 24 22 ARG 25 23 ALA 26 24 GLY 27 25 LYS 28 26 ARG 29 27 PHE 30 28 GLU 31 29 ILE 32 30 ALA 33 31 CYS 34 32 TYR 35 33 LYS 36 34 ASN 37 35 LYS 38 36 VAL 39 37 VAL 40 38 GLY 41 39 TRP 42 40 ARG 43 41 SER 44 42 GLY 45 43 VAL 46 44 GLU 47 45 LYS 48 46 ASP 49 47 LEU 50 48 ASP 51 49 GLU 52 50 VAL 53 51 LEU 54 52 GLN 55 53 THR 56 54 HIS 57 55 SER 58 56 VAL 59 57 PHE 60 58 VAL 61 59 ASN 62 60 VAL 63 61 SER 64 62 LYS 65 63 GLY 66 64 GLN 67 65 VAL 68 66 ALA 69 67 LYS 70 68 LYS 71 69 GLU 72 70 ASP 73 71 LEU 74 72 ILE 75 73 SER 76 74 ALA 77 75 PHE 78 76 GLY 79 77 THR 80 78 ASP 81 79 ASP 82 80 GLN 83 81 THR 84 82 GLU 85 83 ILE 86 84 CYS 87 85 LYS 88 86 GLN 89 87 ILE 90 88 LEU 91 89 THR 92 90 LYS 93 91 GLY 94 92 GLU 95 93 VAL 96 94 GLN 97 95 VAL 98 96 SER 99 97 ASP 100 98 LYS 101 99 GLU 102 100 ARG 103 101 HIS 104 102 THR 105 103 GLN 106 104 LEU 107 105 GLU 108 106 GLN 109 107 MET 110 108 PHE 111 109 ARG 112 110 ASP 113 111 ILE 114 112 ALA 115 113 THR 116 114 ILE 117 115 VAL 118 116 ALA 119 117 ASP 120 118 LYS 121 119 CYS 122 120 VAL 123 121 ASN 124 122 PRO 125 123 GLU 126 124 THR 127 125 LYS 128 126 ARG 129 127 PRO 130 128 TYR 131 129 THR 132 130 VAL 133 131 ILE 134 132 LEU 135 133 ILE 136 134 GLU 137 135 ARG 138 136 ALA 139 137 MET 140 138 LYS 141 139 ASP 142 140 ILE 143 141 HIS 144 142 TYR 145 143 SER 146 144 VAL 147 145 LYS 148 146 THR 149 147 ASN 150 148 LYS 151 149 SER 152 150 THR 153 151 LYS 154 152 GLN 155 153 GLN 156 154 ALA 157 155 LEU 158 156 GLU 159 157 VAL 160 158 ILE 161 159 LYS 162 160 GLN 163 161 LEU 164 162 LYS 165 163 GLU 166 164 LYS 167 165 MET 168 166 LYS 169 167 ILE 170 168 GLU 171 169 ARG 172 170 ALA 173 171 HIS 174 172 MET 175 173 ARG 176 174 LEU 177 175 ARG 178 176 PHE 179 177 ILE 180 178 LEU 181 179 PRO 182 180 VAL 183 181 ASN 184 182 GLU 185 183 GLY 186 184 LYS 187 185 LYS 188 186 LEU 189 187 LYS 190 188 GLU 191 189 LYS 192 190 LEU 193 191 LYS 194 192 PRO 195 193 LEU 196 194 ILE 197 195 LYS 198 196 VAL 199 197 ILE 200 198 GLU 201 199 SER 202 200 GLU 203 201 ASP 204 202 TYR 205 203 GLY 206 204 GLN 207 205 GLN 208 206 LEU 209 207 GLU 210 208 ILE 211 209 VAL 212 210 CYS 213 211 LEU 214 212 ILE 215 213 ASP 216 214 PRO 217 215 GLY 218 216 CYS 219 217 PHE 220 218 ARG 221 219 GLU 222 220 ILE 223 221 ASP 224 222 GLU 225 223 LEU 226 224 ILE 227 225 LYS 228 226 LYS 229 227 GLU 230 228 THR 231 229 LYS 232 230 GLY 233 231 LYS 234 232 GLY 235 233 SER 236 234 LEU 237 235 GLU 238 236 VAL 239 237 LEU 240 238 ASN 241 239 LEU 242 240 LYS 243 241 ASP 244 242 VAL 245 243 GLU 246 244 GLU 247 245 GLY 248 246 ASP 249 247 GLU 250 248 LYS 251 249 PHE 252 250 GLU stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2015-11-04 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 BMRB 16119 SBDS 100.00 252 99.60 99.60 1.86e-180 PDB 2KDO "Structure Of The Human Shwachman-Bodian-Diamond Syndrome Protein, Sbds" 100.00 252 99.60 99.60 1.86e-180 PDB 2L9N "Structure Of The Human Shwachman-Bodian-Diamond Syndrome (Sbds) Protein" 100.00 252 100.00 100.00 0.00e+00 PDB 5AN9 "Mechanism Of Eif6 Release From The Nascent 60s Ribosomal Subunit" 99.21 250 100.00 100.00 1.02e-179 PDB 5ANB "Mechanism Of Eif6 Release From The Nascent 60s Ribosomal Subunit" 99.21 250 100.00 100.00 1.02e-179 PDB 5ANC "Mechanism Of Eif6 Release From The Nascent 60s Ribosomal Subunit" 99.21 250 100.00 100.00 1.02e-179 DBJ BAA91905 "unnamed protein product [Homo sapiens]" 99.21 250 100.00 100.00 1.02e-179 DBJ BAB23803 "unnamed protein product [Mus musculus]" 99.21 250 97.20 98.80 1.65e-175 DBJ BAB29487 "unnamed protein product [Mus musculus]" 99.21 250 97.20 98.80 1.65e-175 DBJ BAB31612 "unnamed protein product [Mus musculus]" 99.21 250 97.20 98.80 1.65e-175 DBJ BAE40670 "unnamed protein product [Mus musculus]" 99.21 250 97.20 98.80 1.65e-175 EMBL CAH91068 "hypothetical protein [Pongo abelii]" 99.21 250 100.00 100.00 1.02e-179 GB AAH03849 "Shwachman-Bodian-Diamond syndrome homolog (human) [Mus musculus]" 99.21 250 97.20 98.80 1.65e-175 GB AAH65700 "Shwachman-Bodian-Diamond syndrome [Homo sapiens]" 99.21 250 100.00 100.00 1.02e-179 GB AAH86335 "Shwachman-Bodian-Diamond syndrome homolog (human) [Rattus norvegicus]" 99.21 250 97.20 98.80 2.39e-175 GB AAI04586 "Shwachman-Bodian-Diamond syndrome [Bos taurus]" 99.21 250 98.80 99.60 1.10e-177 GB AAN77490 "Shwachman-Bodian-Diamond syndrome protein [Homo sapiens]" 99.21 250 100.00 100.00 1.02e-179 REF NP_001008290 "ribosome maturation protein SBDS [Rattus norvegicus]" 99.21 250 97.20 98.80 2.39e-175 REF NP_001029611 "ribosome maturation protein SBDS [Bos taurus]" 99.21 250 98.80 99.60 1.10e-177 REF NP_001125618 "ribosome maturation protein SBDS [Pongo abelii]" 99.21 250 100.00 100.00 1.02e-179 REF NP_001231322 "ribosome maturation protein SBDS [Sus scrofa]" 99.21 250 99.20 99.20 5.46e-178 REF NP_057122 "ribosome maturation protein SBDS [Homo sapiens]" 99.21 250 100.00 100.00 1.02e-179 SP P70122 "RecName: Full=Ribosome maturation protein SBDS; AltName: Full=Protein 22A3; AltName: Full=Shwachman-Bodian-Diamond syndrome pro" 99.21 250 97.20 98.80 1.65e-175 SP Q3SWZ6 "RecName: Full=Ribosome maturation protein SBDS; AltName: Full=Shwachman-Bodian-Diamond syndrome protein homolog" 99.21 250 98.80 99.60 1.10e-177 SP Q5RAZ2 "RecName: Full=Ribosome maturation protein SBDS; AltName: Full=Shwachman-Bodian-Diamond syndrome protein homolog" 99.21 250 100.00 100.00 1.02e-179 SP Q5RK30 "RecName: Full=Ribosome maturation protein SBDS; AltName: Full=Shwachman-Bodian-Diamond syndrome protein homolog" 99.21 250 97.20 98.80 2.39e-175 SP Q9Y3A5 "RecName: Full=Ribosome maturation protein SBDS; AltName: Full=Shwachman-Bodian-Diamond syndrome protein" 99.21 250 100.00 100.00 1.02e-179 TPG DAA15388 "TPA: ribosome maturation protein SBDS [Bos taurus]" 99.21 250 98.80 99.60 1.10e-177 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 $human_SBDS Human 9606 Eukaryota Metazoa Homo sapiens sbds 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 $human_SBDS 'recombinant technology' . Escherichia coli 'C41 (DE3)' pSBDS stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Saveframe_category sample _Sample_type solution _Details '[2H,15N]-labelled WT human SBDS' loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling 'potassium phosphate' 25 mM 'natural abundance' 'sodium chloride' 150 mM 'natural abundance' DTT 1 mM 'natural abundance' 'sodium azide' 0.05 % 'natural abundance' $human_SBDS 0.48 mM . H2O 90 % 'natural abundance' D2O 10 % 'natural abundance' stop_ save_ save_sample_2 _Saveframe_category sample _Sample_type solution _Details '[2H,15N,13C]-labelled WT human SBDS' loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling 'potassium phosphate' 25 mM 'natural abundance' 'sodium chloride' 150 mM 'natural abundance' DTT 1 mM 'natural abundance' 'sodium azide' 0.05 % 'natural abundance' $human_SBDS 0.5 mM . H2O 90 % 'natural abundance' D2O 10 % 'natural abundance' stop_ save_ save_sample_3 _Saveframe_category sample _Sample_type solution _Details '[15N]-labelled human SBDS for all mutants' loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling 'potassium phosphate' 25 mM 'natural abundance' 'sodium chloride' 150 mM 'natural abundance' DTT 1 mM 'natural abundance' 'sodium azide' 0.05 % 'natural abundance' $human_SBDS 0.3 mM . H2O 90 % 'natural abundance' D2O 10 % 'natural abundance' stop_ save_ save_sample_4 _Saveframe_category sample _Sample_type solution _Details '[2H,15N]-labelled yeast WT SBDS' loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling 'potassium phosphate' 25 mM 'natural abundance' 'sodium chloride' 150 mM 'natural abundance' DTT 1 mM 'natural abundance' 'sodium azide' 0.05 % 'natural abundance' $human_SBDS 0.4 mM . H2O 90 % 'natural abundance' D2O 10 % 'natural abundance' stop_ save_ save_sample_5 _Saveframe_category sample _Sample_type solution _Details '[2H,15N,13C]-labelled yeast WT SBDS' loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling 'potassium phosphate' 25 mM 'natural abundance' 'sodium chloride' 150 mM 'natural abundance' DTT 1 mM 'natural abundance' 'sodium azide' 0.05 % 'natural abundance' $human_SBDS 0.35 mM . H2O 90 % 'natural abundance' D2O 10 % 'natural abundance' stop_ save_ save_sample_6 _Saveframe_category sample _Sample_type solution _Details '[2H,13C]-labelled human WT SBDS' loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling 'potassium phosphate' 25 mM 'natural abundance' 'sodium chloride' 150 mM 'natural abundance' DTT 1 mM 'natural abundance' 'sodium azide' 0.05 % 'natural abundance' $human_SBDS 0.4 mM . H2O 90 % 'natural abundance' D2O 10 % 'natural abundance' stop_ save_ ############################ # Computer software used # ############################ save_SPARKY _Saveframe_category software _Name SPARKY _Version 3 loop_ _Vendor _Address _Electronic_address Goddard 'University of California, San Francisco, USA' . stop_ loop_ _Task 'chemical shift assignment' 'peak picking' stop_ _Details . save_ save_TOPSPIN _Saveframe_category software _Name TOPSPIN _Version 2.1 loop_ _Vendor _Address _Electronic_address 'Bruker Biospin' . . stop_ loop_ _Task processing stop_ _Details . save_ save_CNS _Saveframe_category software _Name CNS _Version . loop_ _Vendor _Address _Electronic_address 'Brunger, Adams, Clore, Gros, Nilges and Read' . . stop_ loop_ _Task 'structure calculation' stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _Field_strength 700 _Details . save_ save_spectrometer_2 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model DRX _Field_strength 900 _Details . save_ ############################# # NMR applied experiments # ############################# save_3D_HNCA_1 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCA' _Sample_label $sample_2 save_ save_3D_HNCO_2 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCO' _Sample_label $sample_2 save_ save_3D_HN(CO)CA_3 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HN(CO)CA' _Sample_label $sample_2 save_ save_3D_HBHA(CO)NH_4 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HBHA(CO)NH' _Sample_label $sample_2 save_ save_3D_HNCACB_5 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCACB' _Sample_label $sample_2 save_ save_3D_HNCACO_6 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCACO' _Sample_label $sample_2 save_ save_3D_HNCA_7 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCA' _Sample_label $sample_5 save_ save_3D_HNCO_8 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCO' _Sample_label $sample_5 save_ save_3D_HN(CO)CA_9 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HN(CO)CA' _Sample_label $sample_5 save_ save_3D_HBHA(CO)NH_10 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HBHA(CO)NH' _Sample_label $sample_5 save_ save_3D_HNCACB_11 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCACB' _Sample_label $sample_5 save_ save_3D_HNCACO_12 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCACO' _Sample_label $sample_5 save_ save_2D_1H-15N_HSQC_13 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N HSQC' _Sample_label $sample_3 save_ save_3D_1H-15N_NOESY_14 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-15N NOESY' _Sample_label $sample_1 save_ save_3D_1H-13C_NOESY_15 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-13C NOESY' _Sample_label $sample_6 save_ save_2D_1H-13C_HSQC_16 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-13C HSQC' _Sample_label $sample_6 save_ save_3D_HCCH-TOCSY_17 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HCCH-TOCSY' _Sample_label $sample_6 save_ save_3D_HCCH-COSY_18 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HCCH-COSY' _Sample_label $sample_6 save_ save_3D_HN(CAN)NH_19 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HN(CAN)NH' _Sample_label $sample_2 save_ save_3D_(H)CC(CO)NH_20 _Saveframe_category NMR_applied_experiment _Experiment_name '3D (H)CC(CO)NH' _Sample_label $sample_2 save_ save_3D_H(CCCO)NH_21 _Saveframe_category NMR_applied_experiment _Experiment_name '3D H(CCCO)NH' _Sample_label $sample_2 save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Saveframe_category sample_conditions _Details '[15N,2H]-labelled WT human SBDS' loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units 'ionic strength' 0.163 . M pH 6.5 . pH pressure 1 . atm temperature 298 . K stop_ save_ save_sample_conditions_2 _Saveframe_category sample_conditions _Details '[2H,15N,13C]-labelled WT human SBDS' loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units 'ionic strength' 0.163 . M pH 6.5 . pH pressure 1 . atm temperature 298 . K stop_ save_ save_sample_conditions_3 _Saveframe_category sample_conditions _Details '[15N]-labelled human SBDS for all mutants' loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units 'ionic strength' 0.163 . M pH 6.5 . pH pressure 1 . atm temperature 298 . K stop_ save_ save_sample_conditions_4 _Saveframe_category sample_conditions _Details '[2H,15N]-labelled yeast WT SBDS' loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units 'ionic strength' 0.163 . M pH 6.5 . pH pressure 1 . atm temperature 298 . K stop_ save_ save_sample_conditions_5 _Saveframe_category sample_conditions _Details '[2H,15N,13C]-labelled yeast WT SBDS' loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units 'ionic strength' 0.163 . M pH 6.5 . pH pressure 1 . atm temperature 298 . K stop_ save_ save_sample_conditions_6 _Saveframe_category sample_conditions _Details '[2H,13C]-labelled human WT SBDS' loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units 'ionic strength' 0.163 . M pH 6.5 . pH pressure 1 . atm temperature 298 . K stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference_1 _Saveframe_category chemical_shift_reference _Details 'Internal referencing to the H2O signal at 4.70ppm' 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 _Indirect_shift_ratio_citation_label _Correction_value_citation_label water C 13 protons ppm 4.70 internal indirect . . . 0.251449530 $entry_citation $entry_citation water H 1 protons ppm 4.70 internal direct . . . 1.000000000 $entry_citation $entry_citation water N 15 protons ppm 4.70 internal indirect . . . 0.101329118 $entry_citation $entry_citation stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chem_shift_list_1 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Experiment_label '3D HNCA' '3D HNCO' '3D HN(CO)CA' '3D HBHA(CO)NH' '3D HNCACB' '3D HNCACO' '3D HN(CAN)NH' stop_ loop_ _Sample_label $sample_2 stop_ _Sample_conditions_label $sample_conditions_2 _Chem_shift_reference_set_label $chemical_shift_reference_1 _Mol_system_component_name human_SBDS _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 2 4 SER H H 8.192 0.05 1 2 2 4 SER HA H 4.325 0.05 1 3 2 4 SER HB2 H 3.643 0.05 2 4 2 4 SER C C 177.989 0.2 1 5 2 4 SER CA C 58.087 0.2 1 6 2 4 SER N N 118.024 0.2 1 7 3 5 ILE H H 7.959 0.05 1 8 3 5 ILE HA H 4.016 0.05 1 9 3 5 ILE HB H 1.617 0.05 1 10 3 5 ILE HG12 H 1.069 0.05 1 11 3 5 ILE HG13 H 0.901 0.05 1 12 3 5 ILE HG2 H 0.628 0.05 1 13 3 5 ILE HD1 H 0.594 0.05 1 14 3 5 ILE C C 175.639 0.2 1 15 3 5 ILE CA C 60.969 0.2 1 16 3 5 ILE CB C 39.318 0.2 1 17 3 5 ILE CG1 C 23.840 0.2 1 18 3 5 ILE CG2 C 14.546 0.2 1 19 3 5 ILE CD1 C 10.066 0.2 1 20 3 5 ILE N N 122.310 0.2 1 21 4 6 PHE H H 8.185 0.05 1 22 4 6 PHE HA H 4.597 0.05 1 23 4 6 PHE HB2 H 2.932 0.05 1 24 4 6 PHE HB3 H 2.834 0.05 1 25 4 6 PHE HD1 H 7.075 0.05 3 26 4 6 PHE HE1 H 7.157 0.05 3 27 4 6 PHE HZ H 7.107 0.05 1 28 4 6 PHE C C 175.314 0.2 1 29 4 6 PHE CA C 57.336 0.2 1 30 4 6 PHE CB C 40.027 0.2 1 31 4 6 PHE N N 124.528 0.2 1 32 5 7 THR H H 7.950 0.05 1 33 5 7 THR HA H 4.420 0.05 1 34 5 7 THR HB H 3.977 0.05 1 35 5 7 THR HG1 H 4.643 0.05 1 36 5 7 THR HG2 H 1.032 0.05 1 37 5 7 THR C C 172.535 0.2 1 38 5 7 THR CA C 59.265 0.2 1 39 5 7 THR CB C 69.889 0.2 1 40 5 7 THR CG2 C 18.343 0.2 1 41 5 7 THR N N 119.971 0.2 1 42 6 8 PRO HA H 4.250 0.05 1 43 6 8 PRO HB2 H 2.203 0.05 1 44 6 8 PRO HB3 H 1.804 0.05 1 45 6 8 PRO HG2 H 1.887 0.05 1 46 6 8 PRO HG3 H 1.845 0.05 1 47 6 8 PRO HD2 H 3.556 0.05 2 48 6 8 PRO CA C 63.420 0.2 1 49 6 8 PRO CB C 32.392 0.2 1 50 6 8 PRO CG C 24.463 0.2 1 51 6 8 PRO CD C 47.629 0.2 1 52 7 9 THR H H 7.978 0.05 1 53 7 9 THR HA H 4.135 0.05 1 54 7 9 THR HB H 4.099 0.05 1 55 7 9 THR HG2 H 1.054 0.05 1 56 7 9 THR C C 174.529 0.2 1 57 7 9 THR CA C 61.713 0.2 1 58 7 9 THR CB C 69.713 0.2 1 59 7 9 THR CG2 C 18.702 0.2 1 60 7 9 THR N N 112.912 0.2 1 61 8 10 ASN H H 8.187 0.05 1 62 8 10 ASN HA H 4.534 0.05 1 63 8 10 ASN HB2 H 2.678 0.05 1 64 8 10 ASN HB3 H 2.644 0.05 1 65 8 10 ASN HD21 H 7.454 0.05 1 66 8 10 ASN HD22 H 6.764 0.05 1 67 8 10 ASN C C 174.890 0.2 1 68 8 10 ASN CA C 53.291 0.2 1 69 8 10 ASN CB C 38.911 0.2 1 70 8 10 ASN N N 120.503 0.2 1 71 9 11 GLN H H 8.099 0.05 1 72 9 11 GLN HA H 4.169 0.05 1 73 9 11 GLN HB2 H 1.932 0.05 1 74 9 11 GLN HB3 H 1.778 0.05 1 75 9 11 GLN HG2 H 2.152 0.05 1 76 9 11 GLN HE21 H 7.377 0.05 1 77 9 11 GLN HE22 H 6.722 0.05 1 78 9 11 GLN C C 175.764 0.2 1 79 9 11 GLN CA C 55.728 0.2 1 80 9 11 GLN CB C 29.693 0.2 1 81 9 11 GLN N N 120.365 0.2 1 82 9 11 GLN NE2 N 112.670 0.2 1 83 10 12 ILE H H 7.971 0.05 1 84 10 12 ILE HA H 3.936 0.05 1 85 10 12 ILE HB H 1.647 0.05 1 86 10 12 ILE HG12 H 1.271 0.05 1 87 10 12 ILE HG13 H 0.977 0.05 1 88 10 12 ILE HG2 H 0.652 0.05 1 89 10 12 ILE HD1 H 0.636 0.05 1 90 10 12 ILE C C 175.827 0.2 1 91 10 12 ILE CA C 60.961 0.2 1 92 10 12 ILE CB C 38.335 0.2 1 93 10 12 ILE CG1 C 24.400 0.2 1 94 10 12 ILE CG2 C 14.100 0.2 1 95 10 12 ILE CD1 C 9.754 0.2 1 96 10 12 ILE N N 122.482 0.2 1 97 11 13 ARG H H 8.318 0.05 1 98 11 13 ARG HA H 4.229 0.05 1 99 11 13 ARG HB2 H 1.639 0.05 1 100 11 13 ARG HB3 H 1.570 0.05 1 101 11 13 ARG HG2 H 1.446 0.05 1 102 11 13 ARG HG3 H 1.391 0.05 1 103 11 13 ARG HD2 H 3.006 0.05 2 104 11 13 ARG HE H 7.050 0.05 1 105 11 13 ARG C C 176.007 0.2 1 106 11 13 ARG CA C 55.323 0.2 1 107 11 13 ARG CB C 30.769 0.2 1 108 11 13 ARG CG C 24.075 0.2 1 109 11 13 ARG CD C 40.140 0.2 1 110 11 13 ARG N N 126.172 0.2 1 111 12 14 LEU H H 8.182 0.05 1 112 12 14 LEU HA H 4.174 0.05 1 113 12 14 LEU HB2 H 1.327 0.05 1 114 12 14 LEU HB3 H 1.246 0.05 1 115 12 14 LEU HG H 1.388 0.05 1 116 12 14 LEU HD2 H 0.525 0.05 1 117 12 14 LEU C C 177.293 0.2 1 118 12 14 LEU CA C 54.756 0.2 1 119 12 14 LEU CB C 42.432 0.2 1 120 12 14 LEU CG C 23.931 0.2 1 121 12 14 LEU CD2 C 20.051 0.2 2 122 12 14 LEU N N 124.429 0.2 1 123 13 15 THR H H 7.994 0.05 1 124 13 15 THR HA H 4.204 0.05 1 125 13 15 THR HB H 4.019 0.05 1 126 13 15 THR HG1 H 4.638 0.05 1 127 13 15 THR HG2 H 1.031 0.05 1 128 13 15 THR C C 174.086 0.2 1 129 13 15 THR CA C 61.430 0.2 1 130 13 15 THR CB C 70.205 0.2 1 131 13 15 THR CG2 C 18.550 0.2 1 132 13 15 THR N N 113.640 0.2 1 133 14 16 ASN H H 8.513 0.05 1 134 14 16 ASN HA H 4.482 0.05 1 135 14 16 ASN HB2 H 2.890 0.05 1 136 14 16 ASN HB3 H 2.617 0.05 1 137 14 16 ASN HD21 H 6.870 0.05 1 138 14 16 ASN HD22 H 7.495 0.05 1 139 14 16 ASN CA C 53.224 0.2 1 140 14 16 ASN CB C 38.505 0.2 1 141 14 16 ASN N N 121.159 0.2 1 142 14 16 ASN ND2 N 113.183 0.2 1 143 15 17 VAL H H 7.775 0.05 1 144 15 17 VAL HA H 4.106 0.05 1 145 15 17 VAL HB H 1.701 0.05 1 146 15 17 VAL HG1 H 0.534 0.05 1 147 15 17 VAL HG2 H 0.543 0.05 1 148 15 17 VAL C C 175.063 0.2 1 149 15 17 VAL CA C 61.013 0.2 1 150 15 17 VAL CB C 33.726 0.2 1 151 15 17 VAL CG1 C 18.154 0.2 1 152 15 17 VAL CG2 C 19.043 0.2 1 153 15 17 VAL N N 118.829 0.2 1 154 16 18 ALA H H 8.509 0.05 1 155 16 18 ALA HA H 4.546 0.05 1 156 16 18 ALA HB H 0.963 0.05 1 157 16 18 ALA C C 175.227 0.2 1 158 16 18 ALA CA C 50.306 0.2 1 159 16 18 ALA CB C 21.285 0.2 1 160 16 18 ALA N N 129.053 0.2 1 161 17 19 VAL H H 8.613 0.05 1 162 17 19 VAL HA H 4.547 0.05 1 163 17 19 VAL HB H 1.650 0.05 1 164 17 19 VAL HG1 H 0.616 0.05 1 165 17 19 VAL HG2 H 0.631 0.05 1 166 17 19 VAL C C 175.524 0.2 1 167 17 19 VAL CA C 61.571 0.2 1 168 17 19 VAL CB C 33.012 0.2 1 169 17 19 VAL CG1 C 18.455 0.2 1 170 17 19 VAL CG2 C 19.137 0.2 1 171 17 19 VAL N N 125.002 0.2 1 172 18 20 VAL H H 7.867 0.05 1 173 18 20 VAL HA H 4.550 0.05 1 174 18 20 VAL HB H 1.559 0.05 1 175 18 20 VAL HG1 H 0.527 0.05 1 176 18 20 VAL HG2 H 0.615 0.05 1 177 18 20 VAL C C 174.159 0.2 1 178 18 20 VAL CA C 60.811 0.2 1 179 18 20 VAL CB C 31.840 0.2 1 180 18 20 VAL CG1 C 18.250 0.2 1 181 18 20 VAL CG2 C 18.257 0.2 1 182 18 20 VAL N N 126.934 0.2 1 183 19 21 ARG H H 8.404 0.05 1 184 19 21 ARG HA H 5.389 0.05 1 185 19 21 ARG HB2 H 1.681 0.05 1 186 19 21 ARG HB3 H 1.596 0.05 1 187 19 21 ARG HG2 H 1.476 0.05 2 188 19 21 ARG HD2 H 2.950 0.05 2 189 19 21 ARG C C 175.004 0.2 1 190 19 21 ARG CA C 54.019 0.2 1 191 19 21 ARG CB C 35.980 0.2 1 192 19 21 ARG CG C 24.061 0.2 1 193 19 21 ARG CD C 40.661 0.2 1 194 19 21 ARG N N 126.124 0.2 1 195 20 22 MET H H 9.548 0.05 1 196 20 22 MET HA H 4.737 0.05 1 197 20 22 MET HB2 H 1.879 0.05 1 198 20 22 MET HB3 H 1.839 0.05 1 199 20 22 MET HG2 H 2.435 0.05 1 200 20 22 MET HG3 H 2.290 0.05 1 201 20 22 MET HE H 1.934 0.05 1 202 20 22 MET C C 173.276 0.2 1 203 20 22 MET CA C 55.121 0.2 1 204 20 22 MET CB C 39.477 0.2 1 205 20 22 MET CG C 29.346 0.2 1 206 20 22 MET N N 125.860 0.2 1 207 21 23 LYS H H 8.658 0.05 1 208 21 23 LYS HA H 5.195 0.05 1 209 21 23 LYS HB2 H 1.624 0.05 1 210 21 23 LYS HB3 H 1.505 0.05 1 211 21 23 LYS HG2 H 1.145 0.05 1 212 21 23 LYS HG3 H 1.066 0.05 1 213 21 23 LYS HD2 H 1.468 0.05 2 214 21 23 LYS HE2 H 2.692 0.05 2 215 21 23 LYS C C 176.182 0.2 1 216 21 23 LYS CA C 54.856 0.2 1 217 21 23 LYS CB C 33.696 0.2 1 218 21 23 LYS CG C 21.863 0.2 1 219 21 23 LYS CD C 26.344 0.2 1 220 21 23 LYS CE C 38.396 0.2 1 221 21 23 LYS N N 126.811 0.2 1 222 22 24 ARG H H 8.826 0.05 1 223 22 24 ARG HA H 4.310 0.05 1 224 22 24 ARG HB2 H 1.297 0.05 2 225 22 24 ARG HG2 H 1.068 0.05 1 226 22 24 ARG HG3 H 0.776 0.05 1 227 22 24 ARG HD2 H 2.708 0.05 1 228 22 24 ARG HD3 H 2.535 0.05 1 229 22 24 ARG HE H 6.928 0.05 1 230 22 24 ARG C C 174.592 0.2 1 231 22 24 ARG CA C 54.986 0.2 1 232 22 24 ARG CB C 33.698 0.2 1 233 22 24 ARG CG C 23.997 0.2 1 234 22 24 ARG CD C 39.788 0.2 1 235 22 24 ARG N N 125.876 0.2 1 236 23 25 ALA H H 9.202 0.05 1 237 23 25 ALA HA H 3.870 0.05 1 238 23 25 ALA HB H 1.249 0.05 1 239 23 25 ALA C C 177.086 0.2 1 240 23 25 ALA CA C 52.686 0.2 1 241 23 25 ALA CB C 17.163 0.2 1 242 23 25 ALA N N 129.224 0.2 1 243 24 26 GLY H H 8.525 0.05 1 244 24 26 GLY HA2 H 3.961 0.05 1 245 24 26 GLY HA3 H 3.416 0.05 1 246 24 26 GLY C C 173.895 0.2 1 247 24 26 GLY CA C 45.156 0.2 1 248 24 26 GLY N N 104.242 0.2 1 249 25 27 LYS H H 7.795 0.05 1 250 25 27 LYS HA H 4.304 0.05 1 251 25 27 LYS HB2 H 1.353 0.05 1 252 25 27 LYS HB3 H 1.613 0.05 1 253 25 27 LYS HG2 H 1.226 0.05 1 254 25 27 LYS HG3 H 1.131 0.05 1 255 25 27 LYS HD2 H 1.481 0.05 2 256 25 27 LYS HE2 H 2.872 0.05 2 257 25 27 LYS C C 173.639 0.2 1 258 25 27 LYS CA C 54.513 0.2 1 259 25 27 LYS CB C 35.706 0.2 1 260 25 27 LYS CG C 22.031 0.2 1 261 25 27 LYS CD C 25.889 0.2 1 262 25 27 LYS CE C 39.361 0.2 1 263 25 27 LYS N N 122.168 0.2 1 264 26 28 ARG H H 7.592 0.05 1 265 26 28 ARG HA H 4.427 0.05 1 266 26 28 ARG HB2 H 1.563 0.05 1 267 26 28 ARG HB3 H 1.461 0.05 1 268 26 28 ARG HG2 H 1.323 0.05 1 269 26 28 ARG HG3 H 1.357 0.05 1 270 26 28 ARG HD2 H 2.939 0.05 1 271 26 28 ARG HD3 H 2.881 0.05 1 272 26 28 ARG C C 173.550 0.2 1 273 26 28 ARG CA C 55.299 0.2 1 274 26 28 ARG CB C 32.993 0.2 1 275 26 28 ARG CG C 24.127 0.2 1 276 26 28 ARG CD C 40.700 0.2 1 277 26 28 ARG N N 121.223 0.2 1 278 27 29 PHE H H 8.370 0.05 1 279 27 29 PHE HA H 5.217 0.05 1 280 27 29 PHE HB2 H 2.805 0.05 1 281 27 29 PHE HB3 H 2.588 0.05 1 282 27 29 PHE HD1 H 6.940 0.05 3 283 27 29 PHE HE1 H 6.882 0.05 3 284 27 29 PHE HZ H 6.977 0.05 1 285 27 29 PHE C C 174.542 0.2 1 286 27 29 PHE CA C 56.296 0.2 1 287 27 29 PHE CB C 43.313 0.2 1 288 27 29 PHE N N 120.163 0.2 1 289 28 30 GLU H H 9.419 0.05 1 290 28 30 GLU HA H 5.544 0.05 1 291 28 30 GLU HB2 H 1.813 0.05 1 292 28 30 GLU HB3 H 1.515 0.05 1 293 28 30 GLU HG2 H 1.959 0.05 1 294 28 30 GLU HG3 H 1.804 0.05 1 295 28 30 GLU C C 174.920 0.2 1 296 28 30 GLU CA C 54.014 0.2 1 297 28 30 GLU CB C 35.495 0.2 1 298 28 30 GLU CG C 33.517 0.2 1 299 28 30 GLU N N 119.687 0.2 1 300 29 31 ILE H H 8.348 0.05 1 301 29 31 ILE HA H 4.811 0.05 1 302 29 31 ILE HB H 1.919 0.05 1 303 29 31 ILE HG12 H 1.093 0.05 1 304 29 31 ILE HG13 H 0.935 0.05 1 305 29 31 ILE HG2 H 0.875 0.05 1 306 29 31 ILE HD1 H 0.352 0.05 1 307 29 31 ILE C C 173.411 0.2 1 308 29 31 ILE CA C 59.313 0.2 1 309 29 31 ILE CB C 41.349 0.2 1 310 29 31 ILE CG2 C 16.983 0.2 1 311 29 31 ILE CD1 C 11.243 0.2 1 312 29 31 ILE N N 112.188 0.2 1 313 30 32 ALA H H 9.381 0.05 1 314 30 32 ALA HA H 4.483 0.05 1 315 30 32 ALA HB H 0.888 0.05 1 316 30 32 ALA C C 176.081 0.2 1 317 30 32 ALA CA C 50.102 0.2 1 318 30 32 ALA CB C 21.161 0.2 1 319 30 32 ALA N N 124.375 0.2 1 320 31 33 CYS H H 8.624 0.05 1 321 31 33 CYS HA H 5.059 0.05 1 322 31 33 CYS HB2 H 2.695 0.05 1 323 31 33 CYS HB3 H 2.560 0.05 1 324 31 33 CYS HG H 1.096 0.05 1 325 31 33 CYS C C 175.563 0.2 1 326 31 33 CYS CA C 57.100 0.2 1 327 31 33 CYS CB C 31.828 0.2 1 328 31 33 CYS N N 119.783 0.2 1 329 32 34 TYR H H 8.628 0.05 1 330 32 34 TYR HA H 4.651 0.05 1 331 32 34 TYR HB2 H 3.027 0.05 1 332 32 34 TYR HB3 H 2.507 0.05 1 333 32 34 TYR HD1 H 6.833 0.05 3 334 32 34 TYR HE1 H 6.532 0.05 3 335 32 34 TYR C C 177.289 0.2 1 336 32 34 TYR CA C 58.870 0.2 1 337 32 34 TYR CB C 38.669 0.2 1 338 32 34 TYR N N 123.411 0.2 1 339 33 35 LYS HA H 3.669 0.05 1 340 33 35 LYS HB2 H 1.627 0.05 1 341 33 35 LYS HB3 H 1.537 0.05 1 342 33 35 LYS HG2 H 1.245 0.05 2 343 33 35 LYS HD2 H 1.471 0.05 2 344 33 35 LYS HE2 H 2.791 0.05 2 345 33 35 LYS CA C 58.671 0.2 1 346 33 35 LYS CB C 33.154 0.2 1 347 33 35 LYS CG C 22.055 0.2 1 348 34 36 ASN H H 8.877 0.05 1 349 34 36 ASN HA H 4.453 0.05 1 350 34 36 ASN HB2 H 2.893 0.05 1 351 34 36 ASN HB3 H 2.854 0.05 1 352 34 36 ASN HD22 H 6.903 0.05 2 353 34 36 ASN C C 175.992 0.2 1 354 34 36 ASN CA C 54.770 0.2 1 355 34 36 ASN CB C 37.581 0.2 1 356 34 36 ASN N N 115.038 0.2 1 357 35 37 LYS H H 7.758 0.05 1 358 35 37 LYS HA H 4.447 0.05 1 359 35 37 LYS HB2 H 1.687 0.05 1 360 35 37 LYS HB3 H 1.874 0.05 1 361 35 37 LYS HG2 H 1.372 0.05 1 362 35 37 LYS HG3 H 1.265 0.05 1 363 35 37 LYS HE2 H 2.885 0.05 1 364 35 37 LYS HE3 H 2.850 0.05 1 365 35 37 LYS C C 177.164 0.2 1 366 35 37 LYS CA C 54.928 0.2 1 367 35 37 LYS CB C 34.675 0.2 1 368 35 37 LYS N N 117.260 0.2 1 369 36 38 VAL H H 7.792 0.05 1 370 36 38 VAL HA H 3.431 0.05 1 371 36 38 VAL HB H 1.961 0.05 1 372 36 38 VAL HG1 H 0.766 0.05 1 373 36 38 VAL HG2 H 0.863 0.05 1 374 36 38 VAL CA C 67.353 0.2 1 375 36 38 VAL CB C 31.828 0.2 1 376 36 38 VAL CG1 C 20.117 0.2 1 377 36 38 VAL CG2 C 18.888 0.2 1 378 37 39 VAL H H 8.298 0.05 1 379 37 39 VAL HA H 3.583 0.05 1 380 37 39 VAL HB H 1.913 0.05 1 381 37 39 VAL HG1 H 0.802 0.05 1 382 37 39 VAL HG2 H 0.934 0.05 1 383 37 39 VAL C C 179.215 0.2 1 384 37 39 VAL CA C 66.264 0.2 1 385 37 39 VAL CB C 31.282 0.2 1 386 37 39 VAL CG1 C 17.665 0.2 1 387 37 39 VAL CG2 C 19.443 0.2 1 388 37 39 VAL N N 120.092 0.2 1 389 38 40 GLY H H 7.911 0.05 1 390 38 40 GLY HA2 H 3.792 0.05 2 391 38 40 GLY C C 176.597 0.2 1 392 38 40 GLY CA C 46.568 0.2 1 393 38 40 GLY N N 109.475 0.2 1 394 39 41 TRP H H 8.101 0.05 1 395 39 41 TRP HA H 4.470 0.05 1 396 39 41 TRP HB2 H 3.356 0.05 1 397 39 41 TRP HB3 H 3.176 0.05 1 398 39 41 TRP HD1 H 6.606 0.05 1 399 39 41 TRP HE1 H 10.008 0.05 1 400 39 41 TRP HE3 H 7.086 0.05 1 401 39 41 TRP HZ2 H 7.163 0.05 1 402 39 41 TRP HZ3 H 6.573 0.05 1 403 39 41 TRP HH2 H 6.961 0.05 1 404 39 41 TRP CA C 60.390 0.2 1 405 39 41 TRP N N 124.342 0.2 1 406 39 41 TRP NE1 N 129.878 0.2 1 407 40 42 ARG HA H 3.819 0.05 1 408 40 42 ARG HB2 H 1.847 0.05 1 409 40 42 ARG HB3 H 1.930 0.05 1 410 40 42 ARG HG2 H 1.762 0.05 2 411 40 42 ARG HD2 H 3.104 0.05 1 412 40 42 ARG HD3 H 2.984 0.05 1 413 40 42 ARG CA C 59.570 0.2 1 414 40 42 ARG CG C 26.090 0.2 1 415 41 43 SER H H 8.097 0.05 1 416 41 43 SER HA H 4.302 0.05 1 417 41 43 SER HB2 H 3.895 0.05 1 418 41 43 SER HB3 H 3.796 0.05 1 419 41 43 SER C C 175.049 0.2 1 420 41 43 SER CA C 58.586 0.2 1 421 41 43 SER CB C 64.159 0.2 1 422 41 43 SER N N 112.219 0.2 1 423 42 44 GLY H H 7.309 0.05 1 424 42 44 GLY HA2 H 3.894 0.05 1 425 42 44 GLY HA3 H 3.528 0.05 1 426 42 44 GLY C C 173.879 0.2 1 427 42 44 GLY CA C 45.046 0.2 1 428 42 44 GLY N N 110.021 0.2 1 429 43 45 VAL H H 7.600 0.05 1 430 43 45 VAL HA H 3.762 0.05 1 431 43 45 VAL HB H 1.855 0.05 1 432 43 45 VAL HG1 H 0.747 0.05 1 433 43 45 VAL HG2 H 0.762 0.05 1 434 43 45 VAL C C 176.257 0.2 1 435 43 45 VAL CA C 63.532 0.2 1 436 43 45 VAL CB C 32.099 0.2 1 437 43 45 VAL CG1 C 17.991 0.2 1 438 43 45 VAL CG2 C 18.208 0.2 1 439 43 45 VAL N N 117.787 0.2 1 440 44 46 GLU H H 6.928 0.05 1 441 44 46 GLU HA H 4.250 0.05 1 442 44 46 GLU HB2 H 1.854 0.05 1 443 44 46 GLU HB3 H 1.760 0.05 1 444 44 46 GLU HG2 H 2.091 0.05 1 445 44 46 GLU HG3 H 1.975 0.05 1 446 44 46 GLU C C 175.044 0.2 1 447 44 46 GLU CA C 54.316 0.2 1 448 44 46 GLU CB C 29.954 0.2 1 449 44 46 GLU N N 120.666 0.2 1 450 45 47 LYS H H 8.205 0.05 1 451 45 47 LYS HA H 4.110 0.05 1 452 45 47 LYS HB2 H 1.715 0.05 1 453 45 47 LYS HB3 H 1.483 0.05 1 454 45 47 LYS HG2 H 1.115 0.05 1 455 45 47 LYS HG3 H 1.022 0.05 1 456 45 47 LYS HD2 H 1.346 0.05 1 457 45 47 LYS HD3 H 1.454 0.05 1 458 45 47 LYS HE2 H 2.771 0.05 1 459 45 47 LYS C C 176.371 0.2 1 460 45 47 LYS CB C 33.550 0.2 1 461 45 47 LYS CG C 21.395 0.2 1 462 45 47 LYS CD C 25.580 0.2 1 463 45 47 LYS CE C 38.762 0.2 1 464 45 47 LYS N N 122.171 0.2 1 465 46 48 ASP H H 8.863 0.05 1 466 46 48 ASP HA H 4.809 0.05 1 467 46 48 ASP HB2 H 2.375 0.05 1 468 46 48 ASP HB3 H 2.883 0.05 1 469 46 48 ASP CA C 52.852 0.2 1 470 46 48 ASP CB C 41.796 0.2 1 471 46 48 ASP N N 122.638 0.2 1 472 47 49 LEU H H 8.814 0.05 1 473 47 49 LEU HA H 3.468 0.05 1 474 47 49 LEU HB2 H 1.413 0.05 2 475 47 49 LEU HG H 1.220 0.05 1 476 47 49 LEU HD1 H 0.017 0.05 1 477 47 49 LEU HD2 H 0.318 0.05 1 478 47 49 LEU C C 178.723 0.2 1 479 47 49 LEU CA C 57.529 0.2 1 480 47 49 LEU CB C 42.497 0.2 1 481 47 49 LEU CG C 23.437 0.2 1 482 47 49 LEU CD1 C 20.722 0.2 1 483 47 49 LEU CD2 C 22.364 0.2 1 484 47 49 LEU N N 128.717 0.2 1 485 48 50 ASP H H 8.354 0.05 1 486 48 50 ASP HA H 4.626 0.05 1 487 48 50 ASP HB2 H 2.740 0.05 1 488 48 50 ASP HB3 H 2.615 0.05 1 489 48 50 ASP C C 177.013 0.2 1 490 48 50 ASP CA C 56.572 0.2 1 491 48 50 ASP CB C 40.348 0.2 1 492 48 50 ASP N N 116.529 0.2 1 493 49 51 GLU H H 7.537 0.05 1 494 49 51 GLU HA H 4.118 0.05 1 495 49 51 GLU HB2 H 1.993 0.05 2 496 49 51 GLU HG2 H 2.286 0.05 2 497 49 51 GLU C C 175.657 0.2 1 498 49 51 GLU CA C 56.135 0.2 1 499 49 51 GLU CB C 29.878 0.2 1 500 49 51 GLU CG C 33.377 0.2 1 501 49 51 GLU N N 115.874 0.2 1 502 50 52 VAL H H 7.340 0.05 1 503 50 52 VAL HA H 3.951 0.05 1 504 50 52 VAL HB H 1.720 0.05 1 505 50 52 VAL HG1 H 0.602 0.05 1 506 50 52 VAL HG2 H 0.859 0.05 1 507 50 52 VAL C C 175.342 0.2 1 508 50 52 VAL CA C 63.802 0.2 1 509 50 52 VAL CB C 33.650 0.2 1 510 50 52 VAL CG1 C 18.599 0.2 1 511 50 52 VAL CG2 C 18.677 0.2 1 512 50 52 VAL N N 117.376 0.2 1 513 51 53 LEU H H 7.838 0.05 1 514 51 53 LEU HA H 4.200 0.05 1 515 51 53 LEU HB2 H 1.206 0.05 2 516 51 53 LEU HD1 H 0.246 0.05 1 517 51 53 LEU HD2 H 0.493 0.05 1 518 51 53 LEU C C 176.720 0.2 1 519 51 53 LEU CA C 53.918 0.2 1 520 51 53 LEU CB C 41.992 0.2 1 521 51 53 LEU CD1 C 22.185 0.2 1 522 51 53 LEU CD2 C 20.627 0.2 1 523 51 53 LEU N N 119.674 0.2 1 524 52 54 GLN H H 8.841 0.05 1 525 52 54 GLN HA H 3.652 0.05 1 526 52 54 GLN HB2 H 1.841 0.05 1 527 52 54 GLN HB3 H 0.953 0.05 1 528 52 54 GLN HG2 H 0.929 0.05 2 529 52 54 GLN HE21 H 5.891 0.05 1 530 52 54 GLN HE22 H 6.359 0.05 1 531 52 54 GLN C C 175.823 0.2 1 532 52 54 GLN CA C 58.148 0.2 1 533 52 54 GLN CB C 27.413 0.2 1 534 52 54 GLN N N 121.399 0.2 1 535 53 55 THR H H 7.123 0.05 1 536 53 55 THR HA H 4.488 0.05 1 537 53 55 THR HB H 4.226 0.05 1 538 53 55 THR HG1 H 4.641 0.05 1 539 53 55 THR HG2 H 1.204 0.05 1 540 53 55 THR C C 172.572 0.2 1 541 53 55 THR CA C 58.877 0.2 1 542 53 55 THR CB C 68.510 0.2 1 543 53 55 THR CG2 C 17.437 0.2 1 544 53 55 THR N N 109.403 0.2 1 545 54 56 HIS H H 8.924 0.05 1 546 54 56 HIS HA H 4.696 0.05 1 547 54 56 HIS HB2 H 2.996 0.05 1 548 54 56 HIS HB3 H 2.794 0.05 1 549 54 56 HIS HD2 H 6.906 0.05 1 550 54 56 HIS HE1 H 8.223 0.05 1 551 54 56 HIS CA C 54.930 0.2 1 552 54 56 HIS CB C 28.092 0.2 1 553 54 56 HIS N N 126.823 0.2 1 554 55 57 SER H H 7.391 0.05 1 555 55 57 SER HA H 4.064 0.05 1 556 55 57 SER HB2 H 2.888 0.05 1 557 55 57 SER HB3 H 3.096 0.05 1 558 55 57 SER C C 171.199 0.2 1 559 55 57 SER CA C 58.765 0.2 1 560 55 57 SER CB C 64.559 0.2 1 561 55 57 SER N N 113.837 0.2 1 562 56 58 VAL H H 7.875 0.05 1 563 56 58 VAL HA H 4.038 0.05 1 564 56 58 VAL HB H 1.678 0.05 1 565 56 58 VAL HG1 H 0.765 0.05 1 566 56 58 VAL HG2 H 0.625 0.05 1 567 56 58 VAL C C 175.639 0.2 1 568 56 58 VAL CA C 61.687 0.2 1 569 56 58 VAL CB C 31.835 0.2 1 570 56 58 VAL CG1 C 19.511 0.2 1 571 56 58 VAL CG2 C 18.931 0.2 1 572 56 58 VAL N N 122.445 0.2 1 573 57 59 PHE H H 9.239 0.05 1 574 57 59 PHE HA H 4.687 0.05 1 575 57 59 PHE HB2 H 2.655 0.05 1 576 57 59 PHE HB3 H 2.603 0.05 1 577 57 59 PHE HD1 H 6.834 0.05 3 578 57 59 PHE HE1 H 7.015 0.05 3 579 57 59 PHE HZ H 6.984 0.05 1 580 57 59 PHE C C 176.194 0.2 1 581 57 59 PHE CA C 58.024 0.2 1 582 57 59 PHE CB C 40.361 0.2 1 583 57 59 PHE N N 125.300 0.2 1 584 58 60 VAL H H 8.560 0.05 1 585 58 60 VAL HA H 4.314 0.05 1 586 58 60 VAL HB H 1.565 0.05 1 587 58 60 VAL HG1 H 0.715 0.05 1 588 58 60 VAL HG2 H 0.716 0.05 1 589 58 60 VAL C C 175.497 0.2 1 590 58 60 VAL CA C 63.569 0.2 1 591 58 60 VAL CB C 32.510 0.2 1 592 58 60 VAL CG1 C 17.999 0.2 1 593 58 60 VAL CG2 C 17.993 0.2 1 594 58 60 VAL N N 116.863 0.2 1 595 59 61 ASN H H 6.861 0.05 1 596 59 61 ASN HA H 4.569 0.05 1 597 59 61 ASN HB2 H 2.681 0.05 1 598 59 61 ASN HB3 H 2.423 0.05 1 599 59 61 ASN HD21 H 7.545 0.05 1 600 59 61 ASN HD22 H 6.965 0.05 1 601 59 61 ASN CA C 52.061 0.2 1 602 59 61 ASN CB C 39.894 0.2 1 603 59 61 ASN N N 114.949 0.2 1 604 59 61 ASN ND2 N 112.842 0.2 1 605 60 62 VAL H H 9.562 0.05 1 606 60 62 VAL HA H 2.645 0.05 1 607 60 62 VAL HB H 1.438 0.05 1 608 60 62 VAL HG1 H 0.219 0.05 1 609 60 62 VAL HG2 H 0.203 0.05 1 610 60 62 VAL C C 178.200 0.2 1 611 60 62 VAL CA C 65.803 0.2 1 612 60 62 VAL CB C 31.646 0.2 1 613 60 62 VAL CG1 C 18.122 0.2 1 614 60 62 VAL CG2 C 19.704 0.2 1 615 60 62 VAL N N 129.299 0.2 1 616 61 63 SER H H 8.387 0.05 1 617 61 63 SER HA H 3.851 0.05 1 618 61 63 SER HB2 H 3.753 0.05 2 619 61 63 SER CA C 61.514 0.2 1 620 61 63 SER CB C 62.926 0.2 1 621 61 63 SER N N 117.663 0.2 1 622 62 64 LYS H H 6.988 0.05 1 623 62 64 LYS HA H 4.267 0.05 1 624 62 64 LYS HB2 H 1.901 0.05 1 625 62 64 LYS HB3 H 1.149 0.05 1 626 62 64 LYS HG2 H 1.219 0.05 1 627 62 64 LYS HG3 H 1.125 0.05 1 628 62 64 LYS HD2 H 1.458 0.05 2 629 62 64 LYS HE2 H 2.848 0.05 2 630 62 64 LYS C C 176.662 0.2 1 631 62 64 LYS CA C 55.067 0.2 1 632 62 64 LYS CB C 33.926 0.2 1 633 62 64 LYS CG C 22.352 0.2 1 634 62 64 LYS CD C 25.911 0.2 1 635 62 64 LYS N N 117.543 0.2 1 636 63 65 GLY H H 7.918 0.05 1 637 63 65 GLY HA2 H 3.865 0.05 1 638 63 65 GLY HA3 H 3.513 0.05 1 639 63 65 GLY C C 173.989 0.2 1 640 63 65 GLY CA C 46.662 0.2 1 641 63 65 GLY N N 111.041 0.2 1 642 64 66 GLN H H 7.708 0.05 1 643 64 66 GLN HA H 4.428 0.05 1 644 64 66 GLN HB2 H 1.849 0.05 1 645 64 66 GLN HB3 H 1.778 0.05 1 646 64 66 GLN HG2 H 2.209 0.05 1 647 64 66 GLN HG3 H 2.091 0.05 1 648 64 66 GLN HE21 H 7.364 0.05 1 649 64 66 GLN HE22 H 6.693 0.05 1 650 64 66 GLN C C 175.455 0.2 1 651 64 66 GLN CA C 54.493 0.2 1 652 64 66 GLN CB C 29.215 0.2 1 653 64 66 GLN CG C 29.886 0.2 1 654 64 66 GLN N N 118.453 0.2 1 655 64 66 GLN NE2 N 110.654 0.2 1 656 65 67 VAL H H 8.772 0.05 1 657 65 67 VAL HA H 3.827 0.05 1 658 65 67 VAL HB H 1.879 0.05 1 659 65 67 VAL HG1 H 0.664 0.05 1 660 65 67 VAL HG2 H 0.670 0.05 1 661 65 67 VAL C C 175.428 0.2 1 662 65 67 VAL CA C 62.746 0.2 1 663 65 67 VAL CB C 32.934 0.2 1 664 65 67 VAL CG1 C 18.298 0.2 1 665 65 67 VAL CG2 C 18.313 0.2 1 666 65 67 VAL N N 129.704 0.2 1 667 66 68 ALA H H 8.578 0.05 1 668 66 68 ALA HA H 4.220 0.05 1 669 66 68 ALA HB H 1.184 0.05 1 670 66 68 ALA C C 177.066 0.2 1 671 66 68 ALA CA C 51.922 0.2 1 672 66 68 ALA N N 126.855 0.2 1 673 67 69 LYS H H 8.911 0.05 1 674 67 69 LYS HA H 4.211 0.05 1 675 67 69 LYS HB2 H 1.924 0.05 1 676 67 69 LYS HB3 H 1.682 0.05 1 677 67 69 LYS HG2 H 1.532 0.05 1 678 67 69 LYS HG3 H 1.415 0.05 1 679 67 69 LYS HD2 H 1.598 0.05 2 680 67 69 LYS HE2 H 2.902 0.05 2 681 67 69 LYS C C 178.439 0.2 1 682 67 69 LYS CA C 55.472 0.2 1 683 67 69 LYS CB C 33.171 0.2 1 684 67 69 LYS CG C 22.203 0.2 1 685 67 69 LYS CD C 26.068 0.2 1 686 67 69 LYS CE C 38.600 0.2 1 687 67 69 LYS N N 122.179 0.2 1 688 68 70 LYS H H 8.877 0.05 1 689 68 70 LYS HA H 3.700 0.05 1 690 68 70 LYS HB2 H 1.888 0.05 1 691 68 70 LYS HB3 H 1.655 0.05 1 692 68 70 LYS HG2 H 1.425 0.05 1 693 68 70 LYS HG3 H 1.283 0.05 1 694 68 70 LYS HD2 H 1.647 0.05 2 695 68 70 LYS HE2 H 2.849 0.05 2 696 68 70 LYS C C 178.201 0.2 1 697 68 70 LYS CA C 60.589 0.2 1 698 68 70 LYS CB C 31.858 0.2 1 699 68 70 LYS CG C 21.946 0.2 1 700 68 70 LYS CD C 29.119 0.2 1 701 68 70 LYS CE C 38.598 0.2 1 702 68 70 LYS N N 125.877 0.2 1 703 69 71 GLU H H 9.523 0.05 1 704 69 71 GLU HA H 3.835 0.05 1 705 69 71 GLU HB2 H 1.875 0.05 2 706 69 71 GLU HG2 H 2.244 0.05 1 707 69 71 GLU HG3 H 2.130 0.05 1 708 69 71 GLU C C 179.258 0.2 1 709 69 71 GLU CA C 59.706 0.2 1 710 69 71 GLU CB C 28.386 0.2 1 711 69 71 GLU CG C 33.450 0.2 1 712 69 71 GLU N N 115.987 0.2 1 713 70 72 ASP H H 7.014 0.05 1 714 70 72 ASP HA H 4.466 0.05 1 715 70 72 ASP HB2 H 2.925 0.05 1 716 70 72 ASP HB3 H 2.607 0.05 1 717 70 72 ASP C C 178.329 0.2 1 718 70 72 ASP CA C 56.768 0.2 1 719 70 72 ASP CB C 40.506 0.2 1 720 70 72 ASP N N 119.875 0.2 1 721 71 73 LEU H H 7.690 0.05 1 722 71 73 LEU HA H 3.915 0.05 1 723 71 73 LEU HB2 H 1.464 0.05 1 724 71 73 LEU HB3 H 1.977 0.05 1 725 71 73 LEU HG H 1.611 0.05 1 726 71 73 LEU HD1 H 0.618 0.05 1 727 71 73 LEU HD2 H 0.493 0.05 1 728 71 73 LEU C C 178.795 0.2 1 729 71 73 LEU CA C 57.865 0.2 1 730 71 73 LEU CB C 39.917 0.2 1 731 71 73 LEU CD1 C 22.281 0.2 1 732 71 73 LEU CD2 C 19.501 0.2 1 733 71 73 LEU N N 120.518 0.2 1 734 72 74 ILE H H 8.121 0.05 1 735 72 74 ILE HA H 3.225 0.05 1 736 72 74 ILE HB H 1.529 0.05 1 737 72 74 ILE HG12 H 1.423 0.05 2 738 72 74 ILE HG2 H 0.600 0.05 1 739 72 74 ILE HD1 H 0.620 0.05 1 740 72 74 ILE C C 180.001 0.2 1 741 72 74 ILE CA C 64.902 0.2 1 742 72 74 ILE CB C 38.043 0.2 1 743 72 74 ILE CG1 C 26.751 0.2 1 744 72 74 ILE CG2 C 10.265 0.2 1 745 72 74 ILE CD1 C 14.095 0.2 1 746 72 74 ILE N N 119.034 0.2 1 747 73 75 SER H H 7.751 0.05 1 748 73 75 SER HA H 3.967 0.05 1 749 73 75 SER HB2 H 3.880 0.05 1 750 73 75 SER HB3 H 3.818 0.05 1 751 73 75 SER C C 175.432 0.2 1 752 73 75 SER CA C 61.321 0.2 1 753 73 75 SER CB C 63.374 0.2 1 754 73 75 SER N N 115.531 0.2 1 755 74 76 ALA H H 7.631 0.05 1 756 74 76 ALA HA H 3.931 0.05 1 757 74 76 ALA HB H 0.865 0.05 1 758 74 76 ALA C C 178.121 0.2 1 759 74 76 ALA CA C 53.900 0.2 1 760 74 76 ALA CB C 21.221 0.2 1 761 74 76 ALA N N 120.233 0.2 1 762 75 77 PHE H H 8.664 0.05 1 763 75 77 PHE HA H 4.341 0.05 1 764 75 77 PHE HB2 H 2.871 0.05 1 765 75 77 PHE HB3 H 2.790 0.05 1 766 75 77 PHE HD1 H 6.994 0.05 3 767 75 77 PHE HE1 H 6.033 0.05 3 768 75 77 PHE HZ H 6.364 0.05 1 769 75 77 PHE C C 176.968 0.2 1 770 75 77 PHE CA C 58.231 0.2 1 771 75 77 PHE CB C 40.462 0.2 1 772 75 77 PHE N N 112.468 0.2 1 773 76 78 GLY H H 8.143 0.05 1 774 76 78 GLY HA2 H 3.974 0.05 1 775 76 78 GLY HA3 H 3.767 0.05 1 776 76 78 GLY C C 172.424 0.2 1 777 76 78 GLY CA C 45.629 0.2 1 778 76 78 GLY N N 109.978 0.2 1 779 77 79 THR H H 7.169 0.05 1 780 77 79 THR HA H 4.438 0.05 1 781 77 79 THR HB H 4.055 0.05 1 782 77 79 THR HG1 H 4.641 0.05 1 783 77 79 THR HG2 H 0.716 0.05 1 784 77 79 THR C C 181.065 0.2 1 785 77 79 THR CA C 58.231 0.2 1 786 77 79 THR CB C 68.401 0.2 1 787 77 79 THR CG2 C 15.781 0.2 1 788 77 79 THR N N 112.728 0.2 1 789 78 80 ASP H H 7.616 0.05 1 790 78 80 ASP HA H 4.315 0.05 1 791 78 80 ASP HB2 H 2.851 0.05 1 792 78 80 ASP HB3 H 2.138 0.05 1 793 78 80 ASP C C 175.867 0.2 1 794 78 80 ASP CA C 52.051 0.2 1 795 78 80 ASP CB C 40.705 0.2 1 796 78 80 ASP N N 119.983 0.2 1 797 79 81 ASP H H 8.061 0.05 1 798 79 81 ASP HA H 4.274 0.05 1 799 79 81 ASP HB2 H 2.744 0.05 1 800 79 81 ASP HB3 H 2.343 0.05 1 801 79 81 ASP C C 175.921 0.2 1 802 79 81 ASP CA C 54.042 0.2 1 803 79 81 ASP CB C 40.988 0.2 1 804 79 81 ASP N N 121.786 0.2 1 805 80 82 GLN H H 8.455 0.05 1 806 80 82 GLN HA H 3.450 0.05 1 807 80 82 GLN HB2 H 1.857 0.05 1 808 80 82 GLN HB3 H 2.358 0.05 1 809 80 82 GLN HG2 H 2.425 0.05 1 810 80 82 GLN HG3 H 1.879 0.05 1 811 80 82 GLN HE21 H 7.373 0.05 1 812 80 82 GLN HE22 H 6.632 0.05 1 813 80 82 GLN C C 177.846 0.2 1 814 80 82 GLN CA C 59.972 0.2 1 815 80 82 GLN CB C 28.722 0.2 1 816 80 82 GLN CG C 33.014 0.2 1 817 80 82 GLN N N 126.780 0.2 1 818 80 82 GLN NE2 N 111.187 0.2 1 819 81 83 THR H H 8.037 0.05 1 820 81 83 THR HA H 4.192 0.05 1 821 81 83 THR HB H 3.467 0.05 1 822 81 83 THR HG1 H 4.643 0.05 1 823 81 83 THR HG2 H 0.978 0.05 1 824 81 83 THR CA C 67.776 0.2 1 825 81 83 THR CB C 67.873 0.2 1 826 81 83 THR CG2 C 19.091 0.2 1 827 81 83 THR N N 118.195 0.2 1 828 82 84 GLU H H 7.397 0.05 1 829 82 84 GLU HA H 3.745 0.05 1 830 82 84 GLU HB2 H 1.805 0.05 1 831 82 84 GLU HG2 H 2.137 0.05 1 832 82 84 GLU HG3 H 2.024 0.05 1 833 82 84 GLU C C 179.452 0.2 1 834 82 84 GLU CA C 58.326 0.2 1 835 82 84 GLU CB C 28.985 0.2 1 836 82 84 GLU CG C 32.332 0.2 1 837 82 84 GLU N N 121.416 0.2 1 838 83 85 ILE H H 7.699 0.05 1 839 83 85 ILE HA H 2.780 0.05 1 840 83 85 ILE HB H 1.058 0.05 1 841 83 85 ILE HG12 H 1.215 0.05 1 842 83 85 ILE HG13 H -0.330 0.05 1 843 83 85 ILE HG2 H -0.612 0.05 1 844 83 85 ILE HD1 H 0.289 0.05 1 845 83 85 ILE C C 177.886 0.2 1 846 83 85 ILE CA C 65.409 0.2 1 847 83 85 ILE CB C 37.373 0.2 1 848 83 85 ILE CG1 C 25.287 0.2 1 849 83 85 ILE CG2 C 13.800 0.2 1 850 83 85 ILE CD1 C 12.424 0.2 1 851 83 85 ILE N N 120.482 0.2 1 852 84 86 CYS H H 8.416 0.05 1 853 84 86 CYS HA H 3.566 0.05 1 854 84 86 CYS HB2 H 2.047 0.05 1 855 84 86 CYS HB3 H 2.765 0.05 1 856 84 86 CYS C C 177.082 0.2 1 857 84 86 CYS CA C 65.217 0.2 1 858 84 86 CYS CB C 27.662 0.2 1 859 84 86 CYS N N 118.335 0.2 1 860 85 87 LYS H H 7.545 0.05 1 861 85 87 LYS HA H 3.451 0.05 1 862 85 87 LYS HB2 H 1.752 0.05 1 863 85 87 LYS HB3 H 1.642 0.05 1 864 85 87 LYS HG2 H 1.475 0.05 1 865 85 87 LYS HG3 H 1.146 0.05 1 866 85 87 LYS HD2 H 1.865 0.05 2 867 85 87 LYS HE2 H 2.833 0.05 1 868 85 87 LYS HE3 H 2.736 0.05 1 869 85 87 LYS C C 179.239 0.2 1 870 85 87 LYS CA C 60.592 0.2 1 871 85 87 LYS CB C 31.913 0.2 1 872 85 87 LYS CG C 23.710 0.2 1 873 85 87 LYS CD C 29.234 0.2 1 874 85 87 LYS N N 117.138 0.2 1 875 86 88 GLN H H 7.596 0.05 1 876 86 88 GLN HA H 3.918 0.05 1 877 86 88 GLN HB2 H 1.997 0.05 2 878 86 88 GLN HG2 H 2.416 0.05 1 879 86 88 GLN HG3 H 2.200 0.05 1 880 86 88 GLN HE21 H 7.484 0.05 1 881 86 88 GLN HE22 H 6.952 0.05 1 882 86 88 GLN C C 178.347 0.2 1 883 86 88 GLN CA C 59.343 0.2 1 884 86 88 GLN CB C 28.377 0.2 1 885 86 88 GLN CG C 31.221 0.2 1 886 86 88 GLN N N 121.004 0.2 1 887 86 88 GLN NE2 N 111.584 0.2 1 888 87 89 ILE H H 8.256 0.05 1 889 87 89 ILE HA H 3.488 0.05 1 890 87 89 ILE HB H 1.447 0.05 1 891 87 89 ILE HG12 H 1.569 0.05 1 892 87 89 ILE HG13 H 0.733 0.05 1 893 87 89 ILE HG2 H 0.526 0.05 1 894 87 89 ILE HD1 H 0.427 0.05 1 895 87 89 ILE C C 178.284 0.2 1 896 87 89 ILE CA C 65.645 0.2 1 897 87 89 ILE CB C 37.583 0.2 1 898 87 89 ILE CG1 C 26.114 0.2 1 899 87 89 ILE CG2 C 15.140 0.2 1 900 87 89 ILE CD1 C 12.456 0.2 1 901 87 89 ILE N N 120.936 0.2 1 902 88 90 LEU H H 8.447 0.05 1 903 88 90 LEU HA H 3.555 0.05 1 904 88 90 LEU HB2 H 1.298 0.05 1 905 88 90 LEU HB3 H 1.100 0.05 1 906 88 90 LEU HG H 1.031 0.05 1 907 88 90 LEU HD1 H 0.021 0.05 1 908 88 90 LEU HD2 H -0.049 0.05 1 909 88 90 LEU C C 178.643 0.2 1 910 88 90 LEU CA C 57.950 0.2 1 911 88 90 LEU CB C 42.238 0.2 1 912 88 90 LEU CG C 24.078 0.2 1 913 88 90 LEU CD1 C 21.155 0.2 1 914 88 90 LEU CD2 C 22.400 0.2 1 915 88 90 LEU N N 120.531 0.2 1 916 89 91 THR H H 7.555 0.05 1 917 89 91 THR HA H 4.020 0.05 1 918 89 91 THR HB H 4.187 0.05 1 919 89 91 THR HG1 H 4.646 0.05 1 920 89 91 THR HG2 H 1.227 0.05 1 921 89 91 THR C C 175.709 0.2 1 922 89 91 THR CA C 66.432 0.2 1 923 89 91 THR CB C 69.555 0.2 1 924 89 91 THR CG2 C 18.823 0.2 1 925 89 91 THR N N 113.020 0.2 1 926 90 92 LYS H H 8.013 0.05 1 927 90 92 LYS HA H 4.435 0.05 1 928 90 92 LYS HB2 H 1.885 0.05 1 929 90 92 LYS HB3 H 1.692 0.05 1 930 90 92 LYS HG2 H 1.412 0.05 1 931 90 92 LYS HG3 H 1.328 0.05 1 932 90 92 LYS HD2 H 1.580 0.05 1 933 90 92 LYS HD3 H 1.538 0.05 1 934 90 92 LYS HE2 H 2.866 0.05 2 935 90 92 LYS C C 177.993 0.2 1 936 90 92 LYS CA C 56.293 0.2 1 937 90 92 LYS CB C 34.227 0.2 1 938 90 92 LYS CG C 22.546 0.2 1 939 90 92 LYS CD C 26.121 0.2 1 940 90 92 LYS N N 117.628 0.2 1 941 91 93 GLY H H 8.654 0.05 1 942 91 93 GLY HA2 H 4.177 0.05 1 943 91 93 GLY HA3 H 3.465 0.05 1 944 91 93 GLY C C 172.161 0.2 1 945 91 93 GLY CA C 44.463 0.2 1 946 91 93 GLY N N 109.511 0.2 1 947 92 94 GLU H H 8.938 0.05 1 948 92 94 GLU HA H 4.617 0.05 1 949 92 94 GLU HB2 H 1.831 0.05 2 950 92 94 GLU HG2 H 2.201 0.05 1 951 92 94 GLU HG3 H 2.053 0.05 1 952 92 94 GLU C C 176.913 0.2 1 953 92 94 GLU CA C 54.553 0.2 1 954 92 94 GLU CB C 31.923 0.2 1 955 92 94 GLU CG C 33.186 0.2 1 956 92 94 GLU N N 119.412 0.2 1 957 93 95 VAL H H 8.979 0.05 1 958 93 95 VAL HA H 4.075 0.05 1 959 93 95 VAL HB H 1.888 0.05 1 960 93 95 VAL HG1 H 0.782 0.05 1 961 93 95 VAL HG2 H 0.859 0.05 1 962 93 95 VAL C C 175.988 0.2 1 963 93 95 VAL CA C 62.879 0.2 1 964 93 95 VAL CB C 32.192 0.2 1 965 93 95 VAL CG1 C 18.124 0.2 1 966 93 95 VAL CG2 C 18.862 0.2 1 967 93 95 VAL N N 129.872 0.2 1 968 94 96 GLN H H 8.801 0.05 1 969 94 96 GLN HA H 4.258 0.05 1 970 94 96 GLN HB2 H 1.962 0.05 1 971 94 96 GLN HB3 H 1.853 0.05 1 972 94 96 GLN HG2 H 2.090 0.05 1 973 94 96 GLN HG3 H 1.897 0.05 1 974 94 96 GLN HE21 H 7.219 0.05 1 975 94 96 GLN HE22 H 6.899 0.05 1 976 94 96 GLN C C 175.773 0.2 1 977 94 96 GLN CA C 54.606 0.2 1 978 94 96 GLN CB C 29.367 0.2 1 979 94 96 GLN CG C 30.957 0.2 1 980 94 96 GLN N N 127.833 0.2 1 981 95 97 VAL H H 8.323 0.05 1 982 95 97 VAL HA H 4.166 0.05 1 983 95 97 VAL HB H 1.952 0.05 1 984 95 97 VAL HG1 H 0.806 0.05 1 985 95 97 VAL HG2 H 0.778 0.05 1 986 95 97 VAL C C 176.000 0.2 1 987 95 97 VAL CA C 61.356 0.2 1 988 95 97 VAL CB C 33.159 0.2 1 989 95 97 VAL CG1 C 18.368 0.2 1 990 95 97 VAL CG2 C 17.014 0.2 1 991 95 97 VAL N N 123.849 0.2 1 992 96 98 SER H H 8.534 0.05 1 993 96 98 SER HA H 4.358 0.05 1 994 96 98 SER HB2 H 3.779 0.05 1 995 96 98 SER HB3 H 3.942 0.05 1 996 96 98 SER C C 174.555 0.2 1 997 96 98 SER CA C 58.034 0.2 1 998 96 98 SER CB C 64.731 0.2 1 999 96 98 SER N N 120.927 0.2 1 1000 97 99 ASP H H 8.531 0.05 1 1001 97 99 ASP HA H 4.357 0.05 1 1002 97 99 ASP HB2 H 2.526 0.05 2 1003 97 99 ASP CA C 55.693 0.2 1 1004 97 99 ASP CB C 41.511 0.2 1 1005 97 99 ASP N N 122.989 0.2 1 1006 98 100 LYS H H 8.155 0.05 1 1007 98 100 LYS HA H 4.023 0.05 1 1008 98 100 LYS HB2 H 1.657 0.05 2 1009 98 100 LYS HG2 H 1.309 0.05 2 1010 98 100 LYS HE2 H 2.828 0.05 2 1011 98 100 LYS C C 177.925 0.2 1 1012 98 100 LYS CA C 57.785 0.2 1 1013 98 100 LYS CB C 32.676 0.2 1 1014 98 100 LYS CG C 21.726 0.2 1 1015 98 100 LYS CE C 39.005 0.2 1 1016 98 100 LYS N N 120.708 0.2 1 1017 99 101 GLU H H 7.956 0.05 1 1018 99 101 GLU HA H 4.021 0.05 1 1019 99 101 GLU HB2 H 1.882 0.05 1 1020 99 101 GLU HG2 H 2.115 0.05 2 1021 99 101 GLU C C 177.724 0.2 1 1022 99 101 GLU CA C 57.470 0.2 1 1023 99 101 GLU CB C 29.893 0.2 1 1024 99 101 GLU CG C 33.689 0.2 1 1025 99 101 GLU N N 120.953 0.2 1 1026 100 102 ARG H H 8.166 0.05 1 1027 100 102 ARG HA H 3.999 0.05 1 1028 100 102 ARG HB2 H 1.677 0.05 2 1029 100 102 ARG HG2 H 1.499 0.05 1 1030 100 102 ARG HG3 H 1.425 0.05 1 1031 100 102 ARG HD2 H 3.047 0.05 2 1032 100 102 ARG C C 177.399 0.2 1 1033 100 102 ARG CA C 57.550 0.2 1 1034 100 102 ARG CB C 30.374 0.2 1 1035 100 102 ARG CG C 24.337 0.2 1 1036 100 102 ARG CD C 40.049 0.2 1 1037 100 102 ARG N N 121.556 0.2 1 1038 101 103 HIS HA H 4.385 0.05 1 1039 101 103 HIS HB2 H 3.145 0.05 1 1040 101 103 HIS HB3 H 3.074 0.05 1 1041 101 103 HIS HD2 H 7.005 0.05 1 1042 101 103 HIS CA C 57.425 0.2 1 1043 101 103 HIS CB C 29.842 0.2 1 1044 102 104 THR H H 8.105 0.05 1 1045 102 104 THR HA H 4.009 0.05 1 1046 102 104 THR HB H 4.215 0.05 1 1047 102 104 THR HG1 H 4.645 0.05 1 1048 102 104 THR HG2 H 1.120 0.05 1 1049 102 104 THR C C 176.104 0.2 1 1050 102 104 THR CA C 64.079 0.2 1 1051 102 104 THR CB C 69.539 0.2 1 1052 102 104 THR CG2 C 18.790 0.2 1 1053 102 104 THR N N 115.478 0.2 1 1054 103 105 GLN H H 8.213 0.05 1 1055 103 105 GLN HA H 4.111 0.05 1 1056 103 105 GLN HB2 H 1.352 0.05 2 1057 103 105 GLN HG2 H 1.753 0.05 1 1058 103 105 GLN HG3 H 1.483 0.05 1 1059 103 105 GLN C C 178.584 0.2 1 1060 103 105 GLN CA C 58.276 0.2 1 1061 103 105 GLN CB C 28.139 0.2 1 1062 103 105 GLN CG C 30.501 0.2 1 1063 103 105 GLN N N 122.328 0.2 1 1064 106 108 GLN H H 7.998 0.05 1 1065 106 108 GLN HA H 3.870 0.05 1 1066 106 108 GLN HB2 H 2.016 0.05 2 1067 106 108 GLN HG2 H 2.264 0.05 2 1068 106 108 GLN C C 176.500 0.2 1 1069 106 108 GLN CA C 58.109 0.2 1 1070 106 108 GLN CB C 27.948 0.2 1 1071 106 108 GLN CG C 30.800 0.2 1 1072 106 108 GLN N N 120.404 0.2 1 1073 107 109 MET H H 8.133 0.05 1 1074 107 109 MET HA H 4.044 0.05 1 1075 107 109 MET HB2 H 2.169 0.05 1 1076 107 109 MET HB3 H 1.925 0.05 1 1077 107 109 MET HG2 H 2.388 0.05 1 1078 107 109 MET HG3 H 2.623 0.05 1 1079 107 109 MET HE H 1.995 0.05 1 1080 107 109 MET C C 177.648 0.2 1 1081 107 109 MET CA C 59.352 0.2 1 1082 107 109 MET CB C 33.610 0.2 1 1083 107 109 MET CG C 29.747 0.2 1 1084 107 109 MET CE C 14.438 0.2 1 1085 107 109 MET N N 119.394 0.2 1 1086 108 110 PHE H H 8.103 0.05 1 1087 108 110 PHE HA H 3.630 0.05 1 1088 108 110 PHE HB2 H 3.350 0.05 1 1089 108 110 PHE HB3 H 2.991 0.05 1 1090 108 110 PHE HD1 H 7.099 0.05 3 1091 108 110 PHE HE1 H 6.948 0.05 3 1092 108 110 PHE C C 176.711 0.2 1 1093 108 110 PHE CA C 62.305 0.2 1 1094 108 110 PHE CB C 39.882 0.2 1 1095 108 110 PHE N N 120.315 0.2 1 1096 109 111 ARG H H 7.555 0.05 1 1097 109 111 ARG HA H 4.020 0.05 1 1098 109 111 ARG HB2 H 1.531 0.05 2 1099 109 111 ARG HG2 H 1.274 0.05 1 1100 109 111 ARG HG3 H 1.321 0.05 1 1101 109 111 ARG HD2 H 2.835 0.05 2 1102 109 111 ARG C C 179.500 0.2 1 1103 109 111 ARG CA C 58.470 0.2 1 1104 109 111 ARG CB C 28.896 0.2 1 1105 109 111 ARG CG C 21.506 0.2 1 1106 109 111 ARG CD C 38.700 0.2 1 1107 109 111 ARG N N 118.131 0.2 1 1108 110 112 ASP H H 8.878 0.05 1 1109 110 112 ASP HA H 4.224 0.05 1 1110 110 112 ASP HB2 H 2.754 0.05 1 1111 110 112 ASP HB3 H 2.528 0.05 1 1112 110 112 ASP C C 179.445 0.2 1 1113 110 112 ASP CA C 57.558 0.2 1 1114 110 112 ASP CB C 40.772 0.2 1 1115 110 112 ASP N N 124.506 0.2 1 1116 111 113 ILE H H 8.284 0.05 1 1117 111 113 ILE HA H 3.267 0.05 1 1118 111 113 ILE HB H 1.508 0.05 1 1119 111 113 ILE HG12 H 0.605 0.05 1 1120 111 113 ILE HG13 H 1.418 0.05 1 1121 111 113 ILE HG2 H 0.305 0.05 1 1122 111 113 ILE HD1 H 0.659 0.05 1 1123 111 113 ILE C C 176.746 0.2 1 1124 111 113 ILE CA C 65.627 0.2 1 1125 111 113 ILE CB C 38.256 0.2 1 1126 111 113 ILE CG1 C 26.679 0.2 1 1127 111 113 ILE CG2 C 14.027 0.2 1 1128 111 113 ILE CD1 C 12.844 0.2 1 1129 111 113 ILE N N 121.547 0.2 1 1130 112 114 ALA H H 7.758 0.05 1 1131 112 114 ALA HA H 3.601 0.05 1 1132 112 114 ALA HB H 1.276 0.05 1 1133 112 114 ALA C C 178.966 0.2 1 1134 112 114 ALA CA C 54.999 0.2 1 1135 112 114 ALA CB C 19.180 0.2 1 1136 112 114 ALA N N 120.923 0.2 1 1137 113 115 THR H H 8.123 0.05 1 1138 113 115 THR HA H 3.658 0.05 1 1139 113 115 THR HB H 4.256 0.05 1 1140 113 115 THR HG1 H 4.633 0.05 1 1141 113 115 THR HG2 H 1.086 0.05 1 1142 113 115 THR CA C 66.866 0.2 1 1143 113 115 THR CB C 69.085 0.2 1 1144 113 115 THR CG2 C 17.812 0.2 1 1145 113 115 THR N N 113.803 0.2 1 1146 114 116 ILE H H 7.362 0.05 1 1147 114 116 ILE HA H 3.631 0.05 1 1148 114 116 ILE HB H 1.607 0.05 1 1149 114 116 ILE HG12 H 1.423 0.05 1 1150 114 116 ILE HG13 H 0.834 0.05 1 1151 114 116 ILE HG2 H 0.530 0.05 1 1152 114 116 ILE HD1 H 0.540 0.05 1 1153 114 116 ILE C C 178.016 0.2 1 1154 114 116 ILE CA C 65.160 0.2 1 1155 114 116 ILE CB C 38.190 0.2 1 1156 114 116 ILE CG1 C 25.516 0.2 1 1157 114 116 ILE CG2 C 14.801 0.2 1 1158 114 116 ILE CD1 C 10.896 0.2 1 1159 114 116 ILE N N 122.157 0.2 1 1160 115 117 VAL H H 7.814 0.05 1 1161 115 117 VAL HA H 3.071 0.05 1 1162 115 117 VAL HB H 1.929 0.05 1 1163 115 117 VAL HG1 H 0.718 0.05 1 1164 115 117 VAL HG2 H 0.519 0.05 1 1165 115 117 VAL C C 177.806 0.2 1 1166 115 117 VAL CA C 67.435 0.2 1 1167 115 117 VAL CB C 31.167 0.2 1 1168 115 117 VAL CG1 C 19.838 0.2 1 1169 115 117 VAL CG2 C 18.887 0.2 1 1170 115 117 VAL N N 117.983 0.2 1 1171 116 118 ALA H H 8.294 0.05 1 1172 116 118 ALA HA H 3.942 0.05 1 1173 116 118 ALA HB H 1.205 0.05 1 1174 116 118 ALA C C 173.046 0.2 1 1175 116 118 ALA CA C 53.796 0.2 1 1176 116 118 ALA CB C 18.093 0.2 1 1177 116 118 ALA N N 118.714 0.2 1 1178 117 119 ASP H H 8.076 0.05 1 1179 117 119 ASP HA H 4.378 0.05 1 1180 117 119 ASP HB2 H 2.858 0.05 1 1181 117 119 ASP HB3 H 2.630 0.05 1 1182 117 119 ASP C C 178.467 0.2 1 1183 117 119 ASP CA C 55.944 0.2 1 1184 117 119 ASP CB C 41.484 0.2 1 1185 117 119 ASP N N 116.543 0.2 1 1186 118 120 LYS H H 7.539 0.05 1 1187 118 120 LYS HA H 4.541 0.05 1 1188 118 120 LYS HB2 H 1.781 0.05 2 1189 118 120 LYS HG2 H 1.266 0.05 2 1190 118 120 LYS HE2 H 2.697 0.05 2 1191 118 120 LYS C C 176.945 0.2 1 1192 118 120 LYS CA C 55.311 0.2 1 1193 118 120 LYS CB C 34.192 0.2 1 1194 118 120 LYS CG C 21.650 0.2 1 1195 118 120 LYS CE C 38.724 0.2 1 1196 118 120 LYS N N 114.691 0.2 1 1197 119 121 CYS H H 7.196 0.05 1 1198 119 121 CYS HA H 5.545 0.05 1 1199 119 121 CYS HB2 H 2.779 0.05 1 1200 119 121 CYS HB3 H 2.452 0.05 1 1201 119 121 CYS C C 174.311 0.2 1 1202 119 121 CYS CA C 58.095 0.2 1 1203 119 121 CYS CB C 31.992 0.2 1 1204 119 121 CYS N N 113.899 0.2 1 1205 120 122 VAL H H 8.872 0.05 1 1206 120 122 VAL HA H 4.286 0.05 1 1207 120 122 VAL HB H 1.454 0.05 1 1208 120 122 VAL HG1 H 0.421 0.05 1 1209 120 122 VAL HG2 H 0.357 0.05 1 1210 120 122 VAL C C 174.170 0.2 1 1211 120 122 VAL CA C 58.497 0.2 1 1212 120 122 VAL CB C 35.679 0.2 1 1213 120 122 VAL CG1 C 18.530 0.2 1 1214 120 122 VAL CG2 C 16.924 0.2 1 1215 120 122 VAL N N 113.386 0.2 1 1216 121 123 ASN H H 7.684 0.05 1 1217 121 123 ASN HA H 4.869 0.05 1 1218 121 123 ASN HB2 H 3.053 0.05 1 1219 121 123 ASN HB3 H 1.809 0.05 1 1220 121 123 ASN C C 175.700 0.2 1 1221 121 123 ASN CA C 49.876 0.2 1 1222 121 123 ASN CB C 38.352 0.2 1 1223 121 123 ASN N N 121.576 0.2 1 1224 122 124 PRO HA H 3.885 0.05 1 1225 123 125 GLU H H 8.171 0.05 1 1226 123 125 GLU HA H 4.013 0.05 1 1227 123 125 GLU HB2 H 1.938 0.05 1 1228 123 125 GLU HB3 H 1.882 0.05 1 1229 123 125 GLU HG2 H 2.105 0.05 2 1230 123 125 GLU CA C 58.535 0.2 1 1231 123 125 GLU CB C 30.144 0.2 1 1232 123 125 GLU CG C 33.417 0.2 1 1233 123 125 GLU N N 117.986 0.2 1 1234 124 126 THR H H 6.793 0.05 1 1235 124 126 THR HA H 4.029 0.05 1 1236 124 126 THR HB H 4.019 0.05 1 1237 124 126 THR HG1 H 4.905 0.05 1 1238 124 126 THR HG2 H 0.914 0.05 1 1239 124 126 THR CA C 60.836 0.2 1 1240 124 126 THR CB C 69.791 0.2 1 1241 124 126 THR CG2 C 18.734 0.2 1 1242 124 126 THR N N 106.690 0.2 1 1243 125 127 LYS H H 8.195 0.05 1 1244 125 127 LYS HA H 3.172 0.05 1 1245 125 127 LYS HB2 H 1.911 0.05 1 1246 125 127 LYS HB3 H 1.450 0.05 1 1247 125 127 LYS HG2 H 1.074 0.05 1 1248 125 127 LYS HG3 H 0.928 0.05 1 1249 125 127 LYS HD2 H 1.353 0.05 1 1250 125 127 LYS HD3 H 1.263 0.05 1 1251 125 127 LYS HE2 H 2.754 0.05 2 1252 125 127 LYS C C 173.693 0.2 1 1253 125 127 LYS CA C 57.567 0.2 1 1254 125 127 LYS CB C 28.748 0.2 1 1255 125 127 LYS CG C 22.307 0.2 1 1256 125 127 LYS CE C 38.699 0.2 1 1257 125 127 LYS N N 115.760 0.2 1 1258 126 128 ARG H H 7.073 0.05 1 1259 126 128 ARG HA H 4.363 0.05 1 1260 126 128 ARG HB2 H 2.129 0.05 1 1261 126 128 ARG HB3 H 1.992 0.05 1 1262 126 128 ARG HD2 H 2.830 0.05 1 1263 126 128 ARG C C 174.096 0.2 1 1264 126 128 ARG CA C 51.631 0.2 1 1265 126 128 ARG CB C 31.615 0.2 1 1266 126 128 ARG N N 114.157 0.2 1 1267 127 129 PRO HA H 4.625 0.05 1 1268 127 129 PRO HB2 H 2.325 0.05 2 1269 127 129 PRO CA C 61.966 0.2 1 1270 128 130 TYR H H 9.677 0.05 1 1271 128 130 TYR HA H 4.495 0.05 1 1272 128 130 TYR HB2 H 2.860 0.05 1 1273 128 130 TYR HB3 H 2.566 0.05 1 1274 128 130 TYR HD1 H 6.819 0.05 3 1275 128 130 TYR HE1 H 6.626 0.05 3 1276 128 130 TYR C C 175.460 0.2 1 1277 128 130 TYR CA C 58.301 0.2 1 1278 128 130 TYR CB C 40.567 0.2 1 1279 128 130 TYR N N 121.201 0.2 1 1280 129 131 THR H H 7.122 0.05 1 1281 129 131 THR HA H 4.517 0.05 1 1282 129 131 THR HB H 4.498 0.05 1 1283 129 131 THR HG2 H 1.212 0.05 1 1284 129 131 THR CA C 59.404 0.2 1 1285 129 131 THR CB C 71.377 0.2 1 1286 129 131 THR N N 107.656 0.2 1 1287 130 132 VAL H H 8.612 0.05 1 1288 130 132 VAL HA H 3.305 0.05 1 1289 130 132 VAL HB H 1.915 0.05 1 1290 130 132 VAL HG1 H 0.757 0.05 1 1291 130 132 VAL HG2 H 0.915 0.05 1 1292 130 132 VAL C C 177.285 0.2 1 1293 130 132 VAL CA C 66.420 0.2 1 1294 130 132 VAL CB C 31.652 0.2 1 1295 130 132 VAL CG1 C 17.637 0.2 1 1296 130 132 VAL CG2 C 20.620 0.2 1 1297 130 132 VAL N N 121.752 0.2 1 1298 131 133 ILE H H 7.425 0.05 1 1299 131 133 ILE HA H 3.857 0.05 1 1300 131 133 ILE HB H 1.649 0.05 1 1301 131 133 ILE HG12 H 1.402 0.05 1 1302 131 133 ILE HG13 H 1.131 0.05 1 1303 131 133 ILE HG2 H 0.782 0.05 1 1304 131 133 ILE HD1 H 0.749 0.05 1 1305 131 133 ILE C C 178.293 0.2 1 1306 131 133 ILE CA C 63.621 0.2 1 1307 131 133 ILE CB C 37.926 0.2 1 1308 131 133 ILE CG1 C 25.653 0.2 1 1309 131 133 ILE CG2 C 14.346 0.2 1 1310 131 133 ILE CD1 C 9.894 0.2 1 1311 131 133 ILE N N 117.684 0.2 1 1312 132 134 LEU H H 7.278 0.05 1 1313 132 134 LEU HA H 3.953 0.05 1 1314 132 134 LEU HB2 H 1.463 0.05 1 1315 132 134 LEU HB3 H 1.805 0.05 1 1316 132 134 LEU HG H 1.656 0.05 1 1317 132 134 LEU HD1 H 0.931 0.05 1 1318 132 134 LEU HD2 H 0.704 0.05 1 1319 132 134 LEU C C 180.383 0.2 1 1320 132 134 LEU CA C 57.838 0.2 1 1321 132 134 LEU CB C 42.410 0.2 1 1322 132 134 LEU CD1 C 22.986 0.2 1 1323 132 134 LEU CD2 C 20.053 0.2 1 1324 132 134 LEU N N 122.034 0.2 1 1325 133 135 ILE H H 7.726 0.05 1 1326 133 135 ILE HA H 3.442 0.05 1 1327 133 135 ILE HB H 2.050 0.05 1 1328 133 135 ILE HG12 H 1.227 0.05 2 1329 133 135 ILE HG2 H 0.602 0.05 1 1330 133 135 ILE HD1 H -0.027 0.05 1 1331 133 135 ILE C C 177.835 0.2 1 1332 133 135 ILE CA C 61.152 0.2 1 1333 133 135 ILE CB C 34.585 0.2 1 1334 133 135 ILE CG2 C 14.668 0.2 1 1335 133 135 ILE N N 120.168 0.2 1 1336 134 136 GLU H H 8.997 0.05 1 1337 134 136 GLU HA H 3.830 0.05 1 1338 134 136 GLU HB2 H 2.087 0.05 1 1339 134 136 GLU HB3 H 1.909 0.05 1 1340 134 136 GLU HG2 H 2.363 0.05 1 1341 134 136 GLU HG3 H 1.951 0.05 1 1342 134 136 GLU C C 179.144 0.2 1 1343 134 136 GLU CA C 60.575 0.2 1 1344 134 136 GLU CB C 30.229 0.2 1 1345 134 136 GLU CG C 35.233 0.2 1 1346 134 136 GLU N N 121.528 0.2 1 1347 135 137 ARG H H 7.679 0.05 1 1348 135 137 ARG HA H 3.856 0.05 1 1349 135 137 ARG HB2 H 1.844 0.05 1 1350 135 137 ARG HB3 H 1.964 0.05 1 1351 135 137 ARG HG2 H 1.623 0.05 1 1352 135 137 ARG HD2 H 3.026 0.05 1 1353 135 137 ARG C C 178.435 0.2 1 1354 135 137 ARG CA C 58.941 0.2 1 1355 135 137 ARG CB C 29.729 0.2 1 1356 135 137 ARG CG C 24.091 0.2 1 1357 135 137 ARG N N 118.128 0.2 1 1358 136 138 ALA H H 7.879 0.05 1 1359 136 138 ALA HA H 4.013 0.05 1 1360 136 138 ALA HB H 1.243 0.05 1 1361 136 138 ALA C C 180.301 0.2 1 1362 136 138 ALA CA C 54.921 0.2 1 1363 136 138 ALA CB C 18.813 0.2 1 1364 136 138 ALA N N 123.615 0.2 1 1365 137 139 MET H H 8.651 0.05 1 1366 137 139 MET HA H 3.920 0.05 1 1367 137 139 MET HB2 H 2.214 0.05 1 1368 137 139 MET HG2 H 2.407 0.05 2 1369 137 139 MET C C 178.626 0.2 1 1370 137 139 MET CA C 59.307 0.2 1 1371 137 139 MET CB C 34.605 0.2 1 1372 137 139 MET CG C 31.287 0.2 1 1373 137 139 MET N N 117.291 0.2 1 1374 138 140 LYS H H 8.051 0.05 1 1375 138 140 LYS N N 121.505 0.2 1 1376 139 141 ASP H H 8.234 0.05 1 1377 139 141 ASP HA H 4.226 0.05 1 1378 139 141 ASP HB2 H 2.738 0.05 1 1379 139 141 ASP HB3 H 2.525 0.05 1 1380 139 141 ASP C C 178.421 0.2 1 1381 139 141 ASP CA C 57.145 0.2 1 1382 139 141 ASP CB C 40.621 0.2 1 1383 139 141 ASP N N 123.066 0.2 1 1384 140 142 ILE H H 7.215 0.05 1 1385 140 142 ILE HA H 4.306 0.05 1 1386 140 142 ILE HB H 2.202 0.05 1 1387 140 142 ILE HG12 H 1.319 0.05 2 1388 140 142 ILE HG2 H 0.754 0.05 1 1389 140 142 ILE HD1 H 0.677 0.05 1 1390 140 142 ILE C C 175.610 0.2 1 1391 140 142 ILE CA C 61.365 0.2 1 1392 140 142 ILE CB C 37.594 0.2 1 1393 140 142 ILE CG2 C 14.891 0.2 1 1394 140 142 ILE CD1 C 11.542 0.2 1 1395 140 142 ILE N N 109.357 0.2 1 1396 141 143 HIS H H 7.796 0.05 1 1397 141 143 HIS HA H 4.128 0.05 1 1398 141 143 HIS HB2 H 3.303 0.05 1 1399 141 143 HIS HB3 H 3.129 0.05 1 1400 141 143 HIS HD2 H 7.098 0.05 1 1401 141 143 HIS HE1 H 7.802 0.05 1 1402 141 143 HIS C C 174.572 0.2 1 1403 141 143 HIS CA C 55.499 0.2 1 1404 141 143 HIS CB C 25.890 0.2 1 1405 141 143 HIS N N 118.983 0.2 1 1406 142 144 TYR H H 7.997 0.05 1 1407 142 144 TYR HA H 4.015 0.05 1 1408 142 144 TYR HB2 H 2.669 0.05 1 1409 142 144 TYR HB3 H 2.399 0.05 1 1410 142 144 TYR HD1 H 7.345 0.05 3 1411 142 144 TYR HE1 H 6.586 0.05 3 1412 142 144 TYR C C 175.315 0.2 1 1413 142 144 TYR CA C 61.044 0.2 1 1414 142 144 TYR CB C 38.799 0.2 1 1415 142 144 TYR N N 119.197 0.2 1 1416 143 145 SER H H 7.317 0.05 1 1417 143 145 SER HA H 4.442 0.05 1 1418 143 145 SER HB2 H 3.395 0.05 1 1419 143 145 SER HB3 H 3.430 0.05 1 1420 143 145 SER C C 172.712 0.2 1 1421 143 145 SER CA C 55.545 0.2 1 1422 143 145 SER CB C 63.681 0.2 1 1423 143 145 SER N N 124.066 0.2 1 1424 144 146 VAL H H 8.206 0.05 1 1425 144 146 VAL HA H 3.736 0.05 1 1426 144 146 VAL HB H 1.958 0.05 1 1427 144 146 VAL HG1 H 0.924 0.05 1 1428 144 146 VAL HG2 H 1.051 0.05 1 1429 144 146 VAL C C 175.611 0.2 1 1430 144 146 VAL CA C 62.726 0.2 1 1431 144 146 VAL CB C 32.071 0.2 1 1432 144 146 VAL CG1 C 19.615 0.2 1 1433 144 146 VAL CG2 C 19.536 0.2 1 1434 144 146 VAL N N 123.881 0.2 1 1435 145 147 LYS H H 8.210 0.05 1 1436 145 147 LYS HA H 4.552 0.05 1 1437 145 147 LYS HB2 H 1.656 0.05 2 1438 145 147 LYS HE2 H 2.812 0.05 1 1439 145 147 LYS HE3 H 2.812 0.05 1 1440 145 147 LYS C C 177.184 0.2 1 1441 145 147 LYS CA C 53.635 0.2 1 1442 145 147 LYS CB C 33.300 0.2 1 1443 145 147 LYS CG C 25.475 0.2 1 1444 145 147 LYS N N 125.303 0.2 1 1445 146 148 THR H H 8.500 0.05 1 1446 146 148 THR HA H 4.014 0.05 1 1447 146 148 THR HB H 4.239 0.05 1 1448 146 148 THR HG1 H 4.637 0.05 1 1449 146 148 THR HG2 H 1.059 0.05 1 1450 146 148 THR CB C 68.764 0.2 1 1451 146 148 THR N N 111.610 0.2 1 1452 147 149 ASN H H 8.022 0.05 1 1453 147 149 ASN HA H 4.590 0.05 1 1454 147 149 ASN HB2 H 2.923 0.05 1 1455 147 149 ASN HB3 H 2.588 0.05 1 1456 147 149 ASN HD21 H 7.481 0.05 1 1457 147 149 ASN HD22 H 6.656 0.05 1 1458 147 149 ASN C C 174.144 0.2 1 1459 147 149 ASN CA C 52.460 0.2 1 1460 147 149 ASN CB C 37.592 0.2 1 1461 147 149 ASN N N 117.194 0.2 1 1462 147 149 ASN ND2 N 111.997 0.2 1 1463 148 150 LYS H H 6.884 0.05 1 1464 148 150 LYS HA H 4.539 0.05 1 1465 148 150 LYS HB2 H 2.037 0.05 1 1466 148 150 LYS HB3 H 1.924 0.05 1 1467 148 150 LYS HG2 H 1.464 0.05 1 1468 148 150 LYS HG3 H 1.363 0.05 1 1469 148 150 LYS HD2 H 1.707 0.05 1 1470 148 150 LYS HD3 H 1.542 0.05 1 1471 148 150 LYS HE2 H 2.771 0.05 2 1472 148 150 LYS C C 176.227 0.2 1 1473 148 150 LYS CA C 53.924 0.2 1 1474 148 150 LYS CB C 36.368 0.2 1 1475 148 150 LYS N N 117.814 0.2 1 1476 149 151 SER H H 8.946 0.05 1 1477 149 151 SER HA H 4.644 0.05 1 1478 149 151 SER HB2 H 3.908 0.05 1 1479 149 151 SER HB3 H 4.304 0.05 1 1480 149 151 SER CA C 57.615 0.2 1 1481 149 151 SER CB C 64.921 0.2 1 1482 149 151 SER N N 120.636 0.2 1 1483 150 152 THR H H 9.032 0.05 1 1484 150 152 THR HA H 3.640 0.05 1 1485 150 152 THR HB H 3.901 0.05 1 1486 150 152 THR HG1 H 4.346 0.05 1 1487 150 152 THR HG2 H 1.236 0.05 1 1488 150 152 THR CA C 65.630 0.2 1 1489 150 152 THR CB C 67.995 0.2 1 1490 150 152 THR CG2 C 20.971 0.2 1 1491 150 152 THR N N 116.769 0.2 1 1492 151 153 LYS H H 7.810 0.05 1 1493 151 153 LYS HA H 3.722 0.05 1 1494 151 153 LYS HB2 H 1.620 0.05 2 1495 151 153 LYS HE2 H 2.702 0.05 2 1496 151 153 LYS C C 178.143 0.2 1 1497 151 153 LYS CA C 60.054 0.2 1 1498 151 153 LYS CB C 31.988 0.2 1 1499 151 153 LYS N N 121.012 0.2 1 1500 152 154 GLN H H 7.692 0.05 1 1501 152 154 GLN HA H 3.775 0.05 1 1502 152 154 GLN HB2 H 1.842 0.05 2 1503 152 154 GLN HG2 H 2.244 0.05 2 1504 152 154 GLN C C 179.821 0.2 1 1505 152 154 GLN CA C 58.629 0.2 1 1506 152 154 GLN CB C 28.218 0.2 1 1507 152 154 GLN CG C 31.013 0.2 1 1508 152 154 GLN N N 118.400 0.2 1 1509 153 155 GLN H H 7.956 0.05 1 1510 153 155 GLN HA H 3.833 0.05 1 1511 153 155 GLN HB2 H 1.842 0.05 2 1512 153 155 GLN HG2 H 2.238 0.05 1 1513 153 155 GLN HG3 H 2.120 0.05 1 1514 153 155 GLN C C 177.010 0.2 1 1515 153 155 GLN CA C 59.793 0.2 1 1516 153 155 GLN CB C 29.560 0.2 1 1517 153 155 GLN CG C 29.770 0.2 1 1518 153 155 GLN N N 117.472 0.2 1 1519 154 156 ALA H H 8.298 0.05 1 1520 154 156 ALA HA H 3.429 0.05 1 1521 154 156 ALA HB H 1.257 0.05 1 1522 154 156 ALA C C 178.566 0.2 1 1523 154 156 ALA CA C 55.037 0.2 1 1524 154 156 ALA CB C 18.411 0.2 1 1525 154 156 ALA N N 121.762 0.2 1 1526 155 157 LEU H H 7.214 0.05 1 1527 155 157 LEU HA H 3.780 0.05 1 1528 155 157 LEU HB2 H 1.742 0.05 1 1529 155 157 LEU HB3 H 1.386 0.05 1 1530 155 157 LEU HG H 1.674 0.05 1 1531 155 157 LEU HD1 H 0.708 0.05 1 1532 155 157 LEU HD2 H 0.547 0.05 1 1533 155 157 LEU C C 180.005 0.2 1 1534 155 157 LEU CA C 57.929 0.2 1 1535 155 157 LEU CB C 41.093 0.2 1 1536 155 157 LEU CG C 23.675 0.2 1 1537 155 157 LEU CD1 C 22.199 0.2 1 1538 155 157 LEU CD2 C 19.530 0.2 1 1539 155 157 LEU N N 115.335 0.2 1 1540 156 158 GLU H H 7.249 0.05 1 1541 156 158 GLU HA H 3.885 0.05 1 1542 156 158 GLU HB2 H 2.055 0.05 1 1543 156 158 GLU HB3 H 2.146 0.05 1 1544 156 158 GLU HG2 H 2.363 0.05 1 1545 156 158 GLU HG3 H 2.232 0.05 1 1546 156 158 GLU C C 179.081 0.2 1 1547 156 158 GLU CA C 58.906 0.2 1 1548 156 158 GLU CB C 29.144 0.2 1 1549 156 158 GLU CG C 33.045 0.2 1 1550 156 158 GLU N N 120.303 0.2 1 1551 157 159 VAL H H 8.352 0.05 1 1552 157 159 VAL HA H 2.982 0.05 1 1553 157 159 VAL HB H 1.638 0.05 1 1554 157 159 VAL HG1 H 0.388 0.05 1 1555 157 159 VAL HG2 H -0.134 0.05 1 1556 157 159 VAL C C 177.739 0.2 1 1557 157 159 VAL CA C 66.703 0.2 1 1558 157 159 VAL CB C 30.841 0.2 1 1559 157 159 VAL CG1 C 18.578 0.2 1 1560 157 159 VAL CG2 C 19.674 0.2 1 1561 157 159 VAL N N 121.277 0.2 1 1562 158 160 ILE H H 8.008 0.05 1 1563 158 160 ILE HA H 3.033 0.05 1 1564 158 160 ILE HB H 1.602 0.05 1 1565 158 160 ILE HG2 H 0.646 0.05 1 1566 158 160 ILE HD1 H 0.520 0.05 1 1567 158 160 ILE CA C 66.876 0.2 1 1568 158 160 ILE CB C 38.475 0.2 1 1569 158 160 ILE CG2 C 13.906 0.2 1 1570 158 160 ILE CD1 C 11.378 0.2 1 1571 158 160 ILE N N 120.233 0.2 1 1572 159 161 LYS H H 7.024 0.05 1 1573 159 161 LYS HA H 3.706 0.05 1 1574 159 161 LYS HB2 H 1.885 0.05 1 1575 159 161 LYS HB3 H 1.658 0.05 1 1576 159 161 LYS HG2 H 1.266 0.05 1 1577 159 161 LYS HG3 H 1.439 0.05 1 1578 159 161 LYS HD2 H 1.579 0.05 2 1579 159 161 LYS HE2 H 2.826 0.05 2 1580 159 161 LYS C C 179.404 0.2 1 1581 159 161 LYS CA C 59.695 0.2 1 1582 159 161 LYS CB C 32.191 0.2 1 1583 159 161 LYS CG C 21.826 0.2 1 1584 159 161 LYS CD C 26.377 0.2 1 1585 159 161 LYS N N 116.368 0.2 1 1586 160 162 GLN H H 7.600 0.05 1 1587 160 162 GLN HA H 3.988 0.05 1 1588 160 162 GLN HB2 H 2.007 0.05 1 1589 160 162 GLN HB3 H 1.818 0.05 1 1590 160 162 GLN HG2 H 2.513 0.05 1 1591 160 162 GLN HG3 H 2.264 0.05 1 1592 160 162 GLN HE21 H 7.471 0.05 1 1593 160 162 GLN HE22 H 6.773 0.05 1 1594 160 162 GLN C C 180.101 0.2 1 1595 160 162 GLN CA C 58.687 0.2 1 1596 160 162 GLN CB C 29.314 0.2 1 1597 160 162 GLN CG C 31.680 0.2 1 1598 160 162 GLN N N 117.159 0.2 1 1599 160 162 GLN NE2 N 110.780 0.2 1 1600 161 163 LEU H H 8.964 0.05 1 1601 161 163 LEU HA H 3.793 0.05 1 1602 161 163 LEU HB2 H 1.756 0.05 1 1603 161 163 LEU HB3 H 1.375 0.05 1 1604 161 163 LEU HG H 1.682 0.05 1 1605 161 163 LEU HD1 H 0.714 0.05 1 1606 161 163 LEU HD2 H 0.482 0.05 1 1607 161 163 LEU C C 179.235 0.2 1 1608 161 163 LEU CA C 57.210 0.2 1 1609 161 163 LEU CB C 41.112 0.2 1 1610 161 163 LEU CG C 23.131 0.2 1 1611 161 163 LEU CD1 C 22.056 0.2 1 1612 161 163 LEU CD2 C 19.947 0.2 1 1613 161 163 LEU N N 120.595 0.2 1 1614 162 164 LYS H H 7.758 0.05 1 1615 162 164 LYS HA H 4.324 0.05 1 1616 162 164 LYS HB2 H 1.790 0.05 1 1617 162 164 LYS HD2 H 1.577 0.05 2 1618 162 164 LYS HE2 H 2.826 0.05 2 1619 162 164 LYS C C 177.796 0.2 1 1620 162 164 LYS CA C 59.101 0.2 1 1621 162 164 LYS CB C 32.550 0.2 1 1622 162 164 LYS N N 118.850 0.2 1 1623 163 165 GLU H H 7.060 0.05 1 1624 163 165 GLU HA H 4.092 0.05 1 1625 163 165 GLU HB2 H 2.075 0.05 1 1626 163 165 GLU HB3 H 1.904 0.05 1 1627 163 165 GLU HG2 H 2.348 0.05 1 1628 163 165 GLU HG3 H 2.141 0.05 1 1629 163 165 GLU C C 177.218 0.2 1 1630 163 165 GLU CA C 57.324 0.2 1 1631 163 165 GLU CB C 29.836 0.2 1 1632 163 165 GLU CG C 33.184 0.2 1 1633 163 165 GLU N N 114.613 0.2 1 1634 164 166 LYS H H 7.674 0.05 1 1635 164 166 LYS HA H 4.360 0.05 1 1636 164 166 LYS HB2 H 1.775 0.05 1 1637 164 166 LYS HB3 H 1.563 0.05 1 1638 164 166 LYS HG2 H 1.467 0.05 2 1639 164 166 LYS HD2 H 1.260 0.05 2 1640 164 166 LYS HE2 H 2.805 0.05 2 1641 164 166 LYS C C 175.369 0.2 1 1642 164 166 LYS CA C 55.166 0.2 1 1643 164 166 LYS CB C 35.423 0.2 1 1644 164 166 LYS CG C 25.211 0.2 1 1645 164 166 LYS N N 116.129 0.2 1 1646 165 167 MET H H 8.300 0.05 1 1647 165 167 MET HA H 4.359 0.05 1 1648 165 167 MET CA C 54.107 0.2 1 1649 165 167 MET N N 118.704 0.2 1 1650 166 168 LYS H H 8.279 0.05 1 1651 166 168 LYS HA H 4.543 0.05 1 1652 166 168 LYS HB2 H 1.900 0.05 1 1653 166 168 LYS HB3 H 1.724 0.05 1 1654 166 168 LYS HE2 H 2.724 0.05 2 1655 166 168 LYS C C 175.145 0.2 1 1656 166 168 LYS CA C 54.929 0.2 1 1657 166 168 LYS CB C 30.546 0.2 1 1658 166 168 LYS N N 118.315 0.2 1 1659 167 169 ILE H H 8.326 0.05 1 1660 167 169 ILE HA H 3.953 0.05 1 1661 167 169 ILE HB H 1.638 0.05 1 1662 167 169 ILE HG12 H 1.280 0.05 1 1663 167 169 ILE HG13 H 0.967 0.05 1 1664 167 169 ILE HG2 H 0.652 0.05 1 1665 167 169 ILE HD1 H 0.636 0.05 1 1666 167 169 ILE C C 171.104 0.2 1 1667 167 169 ILE CA C 60.655 0.2 1 1668 167 169 ILE CB C 39.035 0.2 1 1669 167 169 ILE CG1 C 24.287 0.2 1 1670 167 169 ILE CG2 C 14.240 0.2 1 1671 167 169 ILE CD1 C 9.847 0.2 1 1672 167 169 ILE N N 127.686 0.2 1 1673 168 170 GLU H H 8.222 0.05 1 1674 168 170 GLU HA H 4.493 0.05 1 1675 168 170 GLU HB2 H 1.468 0.05 1 1676 168 170 GLU HB3 H 1.724 0.05 1 1677 168 170 GLU HG2 H 2.057 0.05 1 1678 168 170 GLU HG3 H 1.924 0.05 1 1679 168 170 GLU C C 174.956 0.2 1 1680 168 170 GLU CA C 53.954 0.2 1 1681 168 170 GLU CB C 33.926 0.2 1 1682 168 170 GLU CG C 31.982 0.2 1 1683 168 170 GLU N N 123.137 0.2 1 1684 169 171 ARG H H 9.024 0.05 1 1685 169 171 ARG HA H 4.660 0.05 1 1686 169 171 ARG HB2 H 1.825 0.05 1 1687 169 171 ARG HB3 H 1.431 0.05 1 1688 169 171 ARG HG2 H 1.414 0.05 2 1689 169 171 ARG HD2 H 2.982 0.05 2 1690 169 171 ARG C C 174.873 0.2 1 1691 169 171 ARG CA C 55.963 0.2 1 1692 169 171 ARG CB C 30.453 0.2 1 1693 169 171 ARG CG C 24.733 0.2 1 1694 169 171 ARG N N 126.671 0.2 1 1695 170 172 ALA H H 7.809 0.05 1 1696 170 172 ALA HA H 4.455 0.05 1 1697 170 172 ALA HB H 1.027 0.05 1 1698 170 172 ALA C C 175.612 0.2 1 1699 170 172 ALA CA C 51.768 0.2 1 1700 170 172 ALA CB C 23.434 0.2 1 1701 170 172 ALA N N 127.857 0.2 1 1702 171 173 HIS H H 8.245 0.05 1 1703 171 173 HIS HA H 5.080 0.05 1 1704 171 173 HIS HB2 H 2.641 0.05 1 1705 171 173 HIS HB3 H 2.910 0.05 1 1706 171 173 HIS HD2 H 6.906 0.05 1 1707 171 173 HIS CA C 54.816 0.2 1 1708 171 173 HIS CB C 32.990 0.2 1 1709 171 173 HIS N N 113.591 0.2 1 1710 172 174 MET H H 8.654 0.05 1 1711 172 174 MET HA H 4.404 0.05 1 1712 172 174 MET HB2 H 1.949 0.05 1 1713 172 174 MET HB3 H 1.854 0.05 1 1714 172 174 MET HG2 H 2.377 0.05 1 1715 172 174 MET HG3 H 2.455 0.05 1 1716 172 174 MET C C 173.596 0.2 1 1717 172 174 MET CA C 55.194 0.2 1 1718 172 174 MET CB C 35.567 0.2 1 1719 172 174 MET N N 118.222 0.2 1 1720 173 175 ARG H H 8.592 0.05 1 1721 173 175 ARG HA H 5.229 0.05 1 1722 173 175 ARG HB2 H 1.608 0.05 1 1723 173 175 ARG HB3 H 1.485 0.05 1 1724 173 175 ARG HG2 H 1.149 0.05 1 1725 173 175 ARG HG3 H 1.078 0.05 1 1726 173 175 ARG HD2 H 2.912 0.05 2 1727 173 175 ARG C C 174.517 0.2 1 1728 173 175 ARG CA C 54.693 0.2 1 1729 173 175 ARG CB C 30.279 0.2 1 1730 173 175 ARG CG C 21.790 0.2 1 1731 173 175 ARG N N 125.529 0.2 1 1732 174 176 LEU H H 9.033 0.05 1 1733 174 176 LEU HA H 5.153 0.05 1 1734 174 176 LEU HB2 H 1.371 0.05 1 1735 174 176 LEU HB3 H 0.897 0.05 1 1736 174 176 LEU HG H 1.617 0.05 1 1737 174 176 LEU HD1 H 0.906 0.05 1 1738 174 176 LEU HD2 H 0.857 0.05 1 1739 174 176 LEU C C 174.883 0.2 1 1740 174 176 LEU CA C 52.553 0.2 1 1741 174 176 LEU CB C 45.408 0.2 1 1742 174 176 LEU CG C 25.119 0.2 1 1743 174 176 LEU CD1 C 23.749 0.2 1 1744 174 176 LEU CD2 C 22.835 0.2 1 1745 174 176 LEU N N 127.576 0.2 1 1746 175 177 ARG H H 8.711 0.05 1 1747 175 177 ARG HA H 5.253 0.05 1 1748 175 177 ARG HB2 H 1.629 0.05 1 1749 175 177 ARG HB3 H 1.518 0.05 1 1750 175 177 ARG HD2 H 2.929 0.05 1 1751 175 177 ARG HD3 H 2.686 0.05 1 1752 175 177 ARG C C 175.773 0.2 1 1753 175 177 ARG CA C 53.662 0.2 1 1754 175 177 ARG CB C 33.762 0.2 1 1755 175 177 ARG CD C 40.548 0.2 1 1756 175 177 ARG N N 119.316 0.2 1 1757 176 178 PHE H H 9.515 0.05 1 1758 176 178 PHE HA H 5.639 0.05 1 1759 176 178 PHE HB2 H 2.909 0.05 1 1760 176 178 PHE HB3 H 2.760 0.05 1 1761 176 178 PHE HD1 H 6.803 0.05 3 1762 176 178 PHE C C 174.969 0.2 1 1763 176 178 PHE CA C 53.012 0.2 1 1764 176 178 PHE CB C 40.910 0.2 1 1765 176 178 PHE N N 126.252 0.2 1 1766 177 179 ILE H H 8.345 0.05 1 1767 177 179 ILE HA H 4.628 0.05 1 1768 177 179 ILE HB H 1.709 0.05 1 1769 177 179 ILE HG12 H 1.258 0.05 1 1770 177 179 ILE HG13 H 0.841 0.05 1 1771 177 179 ILE HG2 H 0.580 0.05 1 1772 177 179 ILE HD1 H 0.567 0.05 1 1773 177 179 ILE C C 175.623 0.2 1 1774 177 179 ILE CA C 61.007 0.2 1 1775 177 179 ILE CB C 38.450 0.2 1 1776 177 179 ILE CG1 C 23.925 0.2 1 1777 177 179 ILE CG2 C 15.217 0.2 1 1778 177 179 ILE CD1 C 9.825 0.2 1 1779 177 179 ILE N N 122.799 0.2 1 1780 178 180 LEU H H 9.121 0.05 1 1781 178 180 LEU HA H 4.955 0.05 1 1782 178 180 LEU HB2 H 1.489 0.05 1 1783 178 180 LEU HB3 H 1.147 0.05 1 1784 178 180 LEU HD1 H 0.561 0.05 1 1785 178 180 LEU HD2 H 0.695 0.05 1 1786 178 180 LEU C C 173.166 0.2 1 1787 178 180 LEU CA C 50.779 0.2 1 1788 178 180 LEU CB C 43.946 0.2 1 1789 178 180 LEU CD1 C 22.403 0.2 1 1790 178 180 LEU CD2 C 20.827 0.2 1 1791 178 180 LEU N N 124.832 0.2 1 1792 179 181 PRO HA H 4.611 0.05 1 1793 179 181 PRO HB2 H 1.991 0.05 1 1794 179 181 PRO HB3 H 2.332 0.05 1 1795 179 181 PRO HG2 H 1.869 0.05 2 1796 179 181 PRO HD2 H 3.445 0.05 2 1797 179 181 PRO CA C 62.133 0.2 1 1798 179 181 PRO CB C 31.996 0.2 1 1799 180 182 VAL H H 8.533 0.05 1 1800 180 182 VAL HA H 3.533 0.05 1 1801 180 182 VAL HB H 1.887 0.05 1 1802 180 182 VAL HG1 H 0.863 0.05 1 1803 180 182 VAL HG2 H 0.896 0.05 1 1804 180 182 VAL C C 177.812 0.2 1 1805 180 182 VAL CA C 66.404 0.2 1 1806 180 182 VAL CB C 31.760 0.2 1 1807 180 182 VAL CG1 C 17.836 0.2 1 1808 180 182 VAL CG2 C 19.280 0.2 1 1809 180 182 VAL N N 122.926 0.2 1 1810 181 183 ASN H H 8.619 0.05 1 1811 181 183 ASN HA H 4.382 0.05 1 1812 181 183 ASN HB2 H 2.753 0.05 1 1813 181 183 ASN HB3 H 2.697 0.05 1 1814 181 183 ASN C C 177.372 0.2 1 1815 181 183 ASN CA C 55.919 0.2 1 1816 181 183 ASN CB C 37.421 0.2 1 1817 181 183 ASN N N 118.777 0.2 1 1818 182 184 GLU H H 8.276 0.05 1 1819 182 184 GLU HA H 4.218 0.05 1 1820 182 184 GLU HB2 H 1.994 0.05 1 1821 182 184 GLU HB3 H 1.622 0.05 1 1822 182 184 GLU HG2 H 2.235 0.05 1 1823 182 184 GLU HG3 H 2.126 0.05 1 1824 182 184 GLU C C 178.195 0.2 1 1825 182 184 GLU CA C 57.812 0.2 1 1826 182 184 GLU CB C 29.203 0.2 1 1827 182 184 GLU CG C 33.543 0.2 1 1828 182 184 GLU N N 118.895 0.2 1 1829 183 185 GLY H H 8.109 0.05 1 1830 183 185 GLY HA2 H 3.648 0.05 1 1831 183 185 GLY HA3 H 3.380 0.05 1 1832 183 185 GLY C C 174.286 0.2 1 1833 183 185 GLY CA C 48.314 0.2 1 1834 183 185 GLY N N 108.252 0.2 1 1835 184 186 LYS H H 8.095 0.05 1 1836 184 186 LYS HA H 3.808 0.05 1 1837 184 186 LYS HB2 H 1.815 0.05 1 1838 184 186 LYS HB3 H 1.746 0.05 1 1839 184 186 LYS HG2 H 1.548 0.05 1 1840 184 186 LYS HG3 H 1.336 0.05 1 1841 184 186 LYS HD2 H 1.560 0.05 2 1842 184 186 LYS HE2 H 2.769 0.05 2 1843 184 186 LYS C C 179.220 0.2 1 1844 184 186 LYS CA C 59.949 0.2 1 1845 184 186 LYS CB C 31.998 0.2 1 1846 184 186 LYS CG C 22.490 0.2 1 1847 184 186 LYS CD C 26.430 0.2 1 1848 184 186 LYS CE C 38.706 0.2 1 1849 184 186 LYS N N 121.099 0.2 1 1850 185 187 LYS H H 7.438 0.05 1 1851 185 187 LYS HA H 3.974 0.05 1 1852 185 187 LYS HB2 H 1.720 0.05 1 1853 185 187 LYS HB3 H 1.872 0.05 1 1854 185 187 LYS HG2 H 1.227 0.05 2 1855 185 187 LYS HD2 H 1.405 0.05 1 1856 185 187 LYS HD3 H 1.556 0.05 1 1857 185 187 LYS HE2 H 2.808 0.05 2 1858 185 187 LYS CA C 58.264 0.2 1 1859 185 187 LYS CB C 32.220 0.2 1 1860 185 187 LYS CG C 21.763 0.2 1 1861 185 187 LYS CD C 25.873 0.2 1 1862 185 187 LYS N N 118.527 0.2 1 1863 186 188 LEU H H 7.911 0.05 1 1864 186 188 LEU HA H 3.857 0.05 1 1865 186 188 LEU HB2 H 1.254 0.05 1 1866 186 188 LEU HB3 H 1.583 0.05 1 1867 186 188 LEU HG H 1.469 0.05 1 1868 186 188 LEU HD1 H 0.576 0.05 2 1869 186 188 LEU C C 178.541 0.2 1 1870 186 188 LEU CA C 56.913 0.2 1 1871 186 188 LEU CB C 41.943 0.2 1 1872 186 188 LEU CD1 C 21.563 0.2 1 1873 186 188 LEU N N 120.292 0.2 1 1874 187 189 LYS H H 8.204 0.05 1 1875 187 189 LYS HA H 3.464 0.05 1 1876 187 189 LYS HB2 H 1.708 0.05 2 1877 187 189 LYS HG2 H 1.290 0.05 1 1878 187 189 LYS HG3 H 1.148 0.05 1 1879 187 189 LYS HD2 H 1.725 0.05 1 1880 187 189 LYS HD3 H 1.671 0.05 1 1881 187 189 LYS HE2 H 2.755 0.05 1 1882 187 189 LYS HE3 H 2.628 0.05 1 1883 187 189 LYS C C 178.123 0.2 1 1884 187 189 LYS CA C 60.622 0.2 1 1885 187 189 LYS CB C 31.255 0.2 1 1886 187 189 LYS CG C 22.363 0.2 1 1887 187 189 LYS CD C 28.664 0.2 1 1888 187 189 LYS CE C 38.068 0.2 1 1889 187 189 LYS N N 119.093 0.2 1 1890 188 190 GLU H H 7.301 0.05 1 1891 188 190 GLU HA H 3.885 0.05 1 1892 188 190 GLU HB2 H 1.956 0.05 1 1893 188 190 GLU HB3 H 2.152 0.05 1 1894 188 190 GLU HG2 H 2.255 0.05 1 1895 188 190 GLU HG3 H 2.161 0.05 1 1896 188 190 GLU C C 178.941 0.2 1 1897 188 190 GLU CA C 58.879 0.2 1 1898 188 190 GLU CB C 29.513 0.2 1 1899 188 190 GLU CG C 32.911 0.2 1 1900 188 190 GLU N N 115.726 0.2 1 1901 189 191 LYS H H 7.275 0.05 1 1902 189 191 LYS HA H 3.957 0.05 1 1903 189 191 LYS HB2 H 1.727 0.05 2 1904 189 191 LYS HG2 H 1.552 0.05 2 1905 189 191 LYS HD2 H 1.804 0.05 2 1906 189 191 LYS HE2 H 2.760 0.05 2 1907 189 191 LYS C C 177.469 0.2 1 1908 189 191 LYS CA C 57.863 0.2 1 1909 189 191 LYS CB C 32.850 0.2 1 1910 189 191 LYS CG C 26.162 0.2 1 1911 189 191 LYS CD C 27.418 0.2 1 1912 189 191 LYS CE C 38.732 0.2 1 1913 189 191 LYS N N 118.049 0.2 1 1914 190 192 LEU H H 7.781 0.05 1 1915 190 192 LEU HA H 3.887 0.05 1 1916 190 192 LEU HB2 H 1.555 0.05 1 1917 190 192 LEU HB3 H 1.209 0.05 1 1918 190 192 LEU HG H 1.428 0.05 1 1919 190 192 LEU HD1 H 0.234 0.05 1 1920 190 192 LEU HD2 H 0.466 0.05 1 1921 190 192 LEU C C 177.880 0.2 1 1922 190 192 LEU CA C 55.655 0.2 1 1923 190 192 LEU CB C 42.551 0.2 1 1924 190 192 LEU CG C 23.454 0.2 1 1925 190 192 LEU CD1 C 22.156 0.2 1 1926 190 192 LEU CD2 C 21.115 0.2 1 1927 190 192 LEU N N 115.755 0.2 1 1928 191 193 LYS H H 7.330 0.05 1 1929 191 193 LYS HA H 3.777 0.05 1 1930 191 193 LYS HB2 H 1.803 0.05 1 1931 191 193 LYS HG2 H 1.284 0.05 1 1932 191 193 LYS HG3 H 1.465 0.05 1 1933 191 193 LYS HD2 H 1.460 0.05 2 1934 191 193 LYS HE2 H 2.817 0.05 1 1935 191 193 LYS HE3 H 2.764 0.05 1 1936 191 193 LYS C C 175.289 0.2 1 1937 191 193 LYS CA C 62.025 0.2 1 1938 191 193 LYS CB C 30.424 0.2 1 1939 191 193 LYS CG C 22.380 0.2 1 1940 191 193 LYS N N 118.710 0.2 1 1941 192 194 PRO HA H 4.376 0.05 1 1942 192 194 PRO HB2 H 2.226 0.05 1 1943 192 194 PRO HB3 H 1.612 0.05 1 1944 192 194 PRO HG2 H 1.786 0.05 2 1945 192 194 PRO HD2 H 3.429 0.05 2 1946 192 194 PRO CA C 64.957 0.2 1 1947 192 194 PRO CB C 31.150 0.2 1 1948 192 194 PRO CG C 24.700 0.2 1 1949 192 194 PRO CD C 46.140 0.2 1 1950 193 195 LEU H H 7.802 0.05 1 1951 193 195 LEU HA H 4.408 0.05 1 1952 193 195 LEU HB2 H 1.734 0.05 1 1953 193 195 LEU HB3 H 1.622 0.05 1 1954 193 195 LEU HD1 H 0.767 0.05 1 1955 193 195 LEU HD2 H 0.696 0.05 1 1956 193 195 LEU C C 175.324 0.2 1 1957 193 195 LEU CA C 54.288 0.2 1 1958 193 195 LEU CB C 43.534 0.2 1 1959 193 195 LEU CD1 C 19.820 0.2 1 1960 193 195 LEU CD2 C 23.280 0.2 1 1961 193 195 LEU N N 116.993 0.2 1 1962 194 196 ILE H H 7.205 0.05 1 1963 194 196 ILE HA H 4.236 0.05 1 1964 194 196 ILE HB H 1.558 0.05 1 1965 194 196 ILE HG12 H 0.903 0.05 2 1966 194 196 ILE HG2 H 0.661 0.05 1 1967 194 196 ILE HD1 H 0.643 0.05 1 1968 194 196 ILE C C 175.579 0.2 1 1969 194 196 ILE CA C 60.195 0.2 1 1970 194 196 ILE CB C 41.319 0.2 1 1971 194 196 ILE CG2 C 15.927 0.2 1 1972 194 196 ILE CD1 C 11.500 0.2 1 1973 194 196 ILE N N 116.877 0.2 1 1974 195 197 LYS H H 8.256 0.05 1 1975 195 197 LYS HA H 4.185 0.05 1 1976 195 197 LYS HB2 H 1.449 0.05 1 1977 195 197 LYS HB3 H 1.363 0.05 1 1978 195 197 LYS HG2 H 1.183 0.05 1 1979 195 197 LYS HG3 H 1.369 0.05 1 1980 195 197 LYS HE2 H 2.689 0.05 1 1981 195 197 LYS HE3 H 2.602 0.05 1 1982 195 197 LYS C C 176.945 0.2 1 1983 195 197 LYS CA C 57.328 0.2 1 1984 195 197 LYS CB C 32.184 0.2 1 1985 195 197 LYS CG C 24.651 0.2 1 1986 195 197 LYS N N 125.280 0.2 1 1987 196 198 VAL H H 7.133 0.05 1 1988 196 198 VAL HA H 4.130 0.05 1 1989 196 198 VAL HB H 1.732 0.05 1 1990 196 198 VAL HG1 H 0.684 0.05 1 1991 196 198 VAL HG2 H 0.627 0.05 1 1992 196 198 VAL C C 174.484 0.2 1 1993 196 198 VAL CA C 60.691 0.2 1 1994 196 198 VAL CB C 36.743 0.2 1 1995 196 198 VAL CG1 C 17.983 0.2 1 1996 196 198 VAL CG2 C 17.330 0.2 1 1997 196 198 VAL N N 115.620 0.2 1 1998 197 199 ILE H H 8.809 0.05 1 1999 197 199 ILE HA H 3.876 0.05 1 2000 197 199 ILE HB H 1.690 0.05 1 2001 197 199 ILE HG12 H 1.582 0.05 2 2002 197 199 ILE HG2 H 0.692 0.05 1 2003 197 199 ILE HD1 H 0.692 0.05 1 2004 197 199 ILE C C 175.565 0.2 1 2005 197 199 ILE CA C 61.774 0.2 1 2006 197 199 ILE CB C 37.743 0.2 1 2007 197 199 ILE CG2 C 14.900 0.2 1 2008 197 199 ILE CD1 C 9.584 0.2 1 2009 197 199 ILE N N 127.811 0.2 1 2010 198 200 GLU H H 8.990 0.05 1 2011 198 200 GLU HA H 4.015 0.05 1 2012 198 200 GLU HB2 H 1.671 0.05 2 2013 198 200 GLU HG2 H 1.922 0.05 1 2014 198 200 GLU HG3 H 1.787 0.05 1 2015 198 200 GLU C C 176.667 0.2 1 2016 198 200 GLU CA C 57.725 0.2 1 2017 198 200 GLU CB C 31.209 0.2 1 2018 198 200 GLU CG C 34.323 0.2 1 2019 198 200 GLU N N 129.658 0.2 1 2020 199 201 SER H H 7.824 0.05 1 2021 199 201 SER HA H 4.386 0.05 1 2022 199 201 SER HB2 H 3.628 0.05 1 2023 199 201 SER HB3 H 3.584 0.05 1 2024 199 201 SER C C 171.748 0.2 1 2025 199 201 SER CA C 57.908 0.2 1 2026 199 201 SER CB C 65.179 0.2 1 2027 199 201 SER N N 111.347 0.2 1 2028 200 202 GLU H H 8.190 0.05 1 2029 200 202 GLU HA H 4.746 0.05 1 2030 200 202 GLU HB2 H 1.832 0.05 1 2031 200 202 GLU HB3 H 1.730 0.05 1 2032 200 202 GLU HG2 H 1.852 0.05 2 2033 200 202 GLU C C 173.898 0.2 1 2034 200 202 GLU CA C 55.275 0.2 1 2035 200 202 GLU CB C 33.029 0.2 1 2036 200 202 GLU CG C 33.560 0.2 1 2037 200 202 GLU N N 122.132 0.2 1 2038 201 203 ASP H H 8.658 0.05 1 2039 201 203 ASP HA H 4.890 0.05 1 2040 201 203 ASP HB2 H 2.461 0.05 1 2041 201 203 ASP HB3 H 2.295 0.05 1 2042 201 203 ASP C C 174.315 0.2 1 2043 201 203 ASP CA C 53.529 0.2 1 2044 201 203 ASP CB C 44.985 0.2 1 2045 201 203 ASP N N 124.694 0.2 1 2046 202 204 TYR H H 8.897 0.05 1 2047 202 204 TYR HA H 4.283 0.05 1 2048 202 204 TYR HB2 H 2.809 0.05 2 2049 202 204 TYR HD1 H 6.946 0.05 3 2050 202 204 TYR HE1 H 6.616 0.05 3 2051 202 204 TYR C C 175.375 0.2 1 2052 202 204 TYR CA C 58.093 0.2 1 2053 202 204 TYR CB C 38.733 0.2 1 2054 202 204 TYR N N 125.895 0.2 1 2055 203 205 GLY H H 7.653 0.05 1 2056 203 205 GLY HA2 H 4.231 0.05 1 2057 203 205 GLY HA3 H 3.628 0.05 1 2058 203 205 GLY C C 174.303 0.2 1 2059 203 205 GLY CA C 45.198 0.2 1 2060 203 205 GLY N N 115.141 0.2 1 2061 204 206 GLN H H 8.750 0.05 1 2062 204 206 GLN HA H 3.990 0.05 1 2063 204 206 GLN HB2 H 1.997 0.05 1 2064 204 206 GLN HB3 H 1.885 0.05 1 2065 204 206 GLN HG2 H 2.323 0.05 1 2066 204 206 GLN HG3 H 2.271 0.05 1 2067 204 206 GLN HE21 H 7.459 0.05 1 2068 204 206 GLN HE22 H 6.742 0.05 1 2069 204 206 GLN CA C 58.525 0.2 1 2070 204 206 GLN CB C 29.148 0.2 1 2071 204 206 GLN CG C 31.339 0.2 1 2072 204 206 GLN N N 128.201 0.2 1 2073 204 206 GLN NE2 N 112.850 0.2 1 2074 205 207 GLN H H 7.905 0.05 1 2075 205 207 GLN HA H 4.353 0.05 1 2076 205 207 GLN HB2 H 1.612 0.05 1 2077 205 207 GLN HB3 H 2.232 0.05 1 2078 205 207 GLN HG2 H 2.037 0.05 1 2079 205 207 GLN HG3 H 2.006 0.05 1 2080 205 207 GLN C C 173.840 0.2 1 2081 205 207 GLN CA C 54.203 0.2 1 2082 205 207 GLN CB C 31.539 0.2 1 2083 205 207 GLN CG C 31.023 0.2 1 2084 205 207 GLN N N 113.837 0.2 1 2085 206 208 LEU H H 8.950 0.05 1 2086 206 208 LEU HA H 4.686 0.05 1 2087 206 208 LEU HB2 H 1.484 0.05 1 2088 206 208 LEU HB3 H 0.917 0.05 1 2089 206 208 LEU HG H 0.992 0.05 1 2090 206 208 LEU HD1 H -0.074 0.05 1 2091 206 208 LEU HD2 H 0.431 0.05 1 2092 206 208 LEU C C 174.011 0.2 1 2093 206 208 LEU CA C 53.695 0.2 1 2094 206 208 LEU CB C 43.367 0.2 1 2095 206 208 LEU CG C 24.275 0.2 1 2096 206 208 LEU CD1 C 18.333 0.2 1 2097 206 208 LEU N N 124.264 0.2 1 2098 207 209 GLU H H 8.494 0.05 1 2099 207 209 GLU HA H 5.429 0.05 1 2100 207 209 GLU HB2 H 1.748 0.05 2 2101 207 209 GLU HG2 H 1.982 0.05 1 2102 207 209 GLU HG3 H 1.792 0.05 1 2103 207 209 GLU C C 176.235 0.2 1 2104 207 209 GLU CA C 54.051 0.2 1 2105 207 209 GLU CB C 32.600 0.2 1 2106 207 209 GLU CG C 33.702 0.2 1 2107 207 209 GLU N N 126.824 0.2 1 2108 208 210 ILE H H 8.685 0.05 1 2109 208 210 ILE HA H 4.763 0.05 1 2110 208 210 ILE HB H 1.316 0.05 1 2111 208 210 ILE HG12 H 1.436 0.05 1 2112 208 210 ILE HG2 H 0.616 0.05 1 2113 208 210 ILE HD1 H 0.588 0.05 1 2114 208 210 ILE C C 174.097 0.2 1 2115 208 210 ILE CA C 59.313 0.2 1 2116 208 210 ILE CB C 42.896 0.2 1 2117 208 210 ILE CG2 C 14.265 0.2 1 2118 208 210 ILE CD1 C 10.149 0.2 1 2119 208 210 ILE N N 127.469 0.2 1 2120 209 211 VAL H H 8.352 0.05 1 2121 209 211 VAL HA H 5.136 0.05 1 2122 209 211 VAL HB H 1.867 0.05 1 2123 209 211 VAL HG1 H 0.711 0.05 1 2124 209 211 VAL HG2 H 0.645 0.05 1 2125 209 211 VAL C C 176.367 0.2 1 2126 209 211 VAL CA C 60.894 0.2 1 2127 209 211 VAL CB C 32.140 0.2 1 2128 209 211 VAL CG1 C 18.038 0.2 1 2129 209 211 VAL CG2 C 18.351 0.2 1 2130 209 211 VAL N N 127.443 0.2 1 2131 210 212 CYS H H 9.185 0.05 1 2132 210 212 CYS HA H 5.222 0.05 1 2133 210 212 CYS HB2 H 2.939 0.05 1 2134 210 212 CYS HB3 H 2.587 0.05 1 2135 210 212 CYS C C 170.400 0.2 1 2136 210 212 CYS CA C 55.119 0.2 1 2137 210 212 CYS CB C 33.302 0.2 1 2138 210 212 CYS N N 122.454 0.2 1 2139 211 213 LEU H H 8.528 0.05 1 2140 211 213 LEU HA H 5.421 0.05 1 2141 211 213 LEU HB2 H 1.355 0.05 1 2142 211 213 LEU HB3 H 0.892 0.05 1 2143 211 213 LEU HG H 1.741 0.05 1 2144 211 213 LEU HD1 H 0.588 0.05 1 2145 211 213 LEU C C 177.221 0.2 1 2146 211 213 LEU CA C 52.811 0.2 1 2147 211 213 LEU CB C 45.092 0.2 1 2148 211 213 LEU CG C 29.607 0.2 1 2149 211 213 LEU CD1 C 22.703 0.2 1 2150 211 213 LEU N N 118.015 0.2 1 2151 212 214 ILE H H 8.715 0.05 1 2152 212 214 ILE HA H 4.907 0.05 1 2153 212 214 ILE HB H 1.952 0.05 1 2154 212 214 ILE HG2 H 0.914 0.05 1 2155 212 214 ILE HD1 H 0.980 0.05 1 2156 212 214 ILE C C 176.300 0.2 1 2157 212 214 ILE CA C 59.070 0.2 1 2158 212 214 ILE CB C 42.664 0.2 1 2159 212 214 ILE CG1 C 24.106 0.2 1 2160 212 214 ILE CG2 C 16.081 0.2 1 2161 212 214 ILE CD1 C 12.541 0.2 1 2162 212 214 ILE N N 113.221 0.2 1 2163 213 215 ASP H H 9.338 0.05 1 2164 213 215 ASP HA H 5.442 0.05 1 2165 213 215 ASP HB2 H 2.775 0.05 1 2166 213 215 ASP HB3 H 2.508 0.05 1 2167 213 215 ASP C C 176.014 0.2 1 2168 213 215 ASP CA C 52.535 0.2 1 2169 213 215 ASP CB C 40.133 0.2 1 2170 213 215 ASP N N 123.845 0.2 1 2171 214 216 PRO HA H 4.360 0.05 1 2172 214 216 PRO HB2 H 2.220 0.05 2 2173 214 216 PRO HG2 H 1.617 0.05 1 2174 214 216 PRO HG3 H 1.783 0.05 1 2175 214 216 PRO HD2 H 3.421 0.05 2 2176 214 216 PRO CA C 64.919 0.2 1 2177 214 216 PRO CG C 24.814 0.2 1 2178 214 216 PRO CD C 47.100 0.2 1 2179 215 217 GLY H H 9.073 0.05 1 2180 215 217 GLY HA2 H 4.362 0.05 1 2181 215 217 GLY HA3 H 4.127 0.05 1 2182 215 217 GLY C C 175.627 0.2 1 2183 215 217 GLY CA C 46.915 0.2 1 2184 215 217 GLY N N 103.529 0.2 1 2185 216 218 CYS H H 8.138 0.05 1 2186 216 218 CYS HA H 4.631 0.05 1 2187 216 218 CYS HB2 H 3.273 0.05 1 2188 216 218 CYS HB3 H 2.938 0.05 1 2189 216 218 CYS C C 174.250 0.2 1 2190 216 218 CYS CA C 59.618 0.2 1 2191 216 218 CYS CB C 29.392 0.2 1 2192 216 218 CYS N N 117.552 0.2 1 2193 217 219 PHE H H 7.867 0.05 1 2194 217 219 PHE HA H 3.629 0.05 1 2195 217 219 PHE HB2 H 2.976 0.05 2 2196 217 219 PHE HE1 H 6.949 0.05 3 2197 217 219 PHE C C 175.444 0.2 1 2198 217 219 PHE CA C 62.621 0.2 1 2199 217 219 PHE CB C 39.757 0.2 1 2200 217 219 PHE N N 120.651 0.2 1 2201 218 220 ARG H H 8.732 0.05 1 2202 218 220 ARG HA H 3.634 0.05 1 2203 218 220 ARG HB2 H 1.774 0.05 2 2204 218 220 ARG HG2 H 1.493 0.05 1 2205 218 220 ARG HG3 H 1.687 0.05 1 2206 218 220 ARG HD2 H 3.095 0.05 2 2207 218 220 ARG HE H 6.931 0.05 1 2208 218 220 ARG C C 178.613 0.2 1 2209 218 220 ARG CA C 59.327 0.2 1 2210 218 220 ARG CB C 29.055 0.2 1 2211 218 220 ARG CG C 24.192 0.2 1 2212 218 220 ARG CD C 40.154 0.2 1 2213 218 220 ARG N N 118.447 0.2 1 2214 219 221 GLU H H 8.356 0.05 1 2215 219 221 GLU HA H 3.749 0.05 1 2216 219 221 GLU HB2 H 1.903 0.05 2 2217 219 221 GLU HG2 H 2.048 0.05 1 2218 219 221 GLU HG3 H 2.131 0.05 1 2219 219 221 GLU C C 179.208 0.2 1 2220 219 221 GLU CA C 59.080 0.2 1 2221 219 221 GLU CB C 29.816 0.2 1 2222 219 221 GLU CG C 33.508 0.2 1 2223 219 221 GLU N N 119.361 0.2 1 2224 220 222 ILE H H 7.579 0.05 1 2225 220 222 ILE HA H 3.177 0.05 1 2226 220 222 ILE HB H 1.578 0.05 1 2227 220 222 ILE HG2 H 0.509 0.05 1 2228 220 222 ILE HD1 H 0.784 0.05 1 2229 220 222 ILE C C 176.344 0.2 1 2230 220 222 ILE CA C 65.732 0.2 1 2231 220 222 ILE CB C 37.731 0.2 1 2232 220 222 ILE CG2 C 14.883 0.2 1 2233 220 222 ILE CD1 C 12.329 0.2 1 2234 220 222 ILE N N 120.304 0.2 1 2235 221 223 ASP H H 8.023 0.05 1 2236 221 223 ASP HA H 3.800 0.05 1 2237 221 223 ASP HB2 H 1.662 0.05 1 2238 221 223 ASP HB3 H 2.297 0.05 1 2239 221 223 ASP C C 178.868 0.2 1 2240 221 223 ASP CA C 57.067 0.2 1 2241 221 223 ASP CB C 41.948 0.2 1 2242 221 223 ASP N N 119.917 0.2 1 2243 222 224 GLU H H 7.891 0.05 1 2244 222 224 GLU HA H 3.712 0.05 1 2245 222 224 GLU HB2 H 1.816 0.05 2 2246 222 224 GLU HG2 H 2.235 0.05 1 2247 222 224 GLU HG3 H 2.121 0.05 1 2248 222 224 GLU C C 178.762 0.2 1 2249 222 224 GLU CA C 58.940 0.2 1 2250 222 224 GLU CB C 29.295 0.2 1 2251 222 224 GLU N N 116.591 0.2 1 2252 223 225 LEU H H 7.991 0.05 1 2253 223 225 LEU HA H 3.912 0.05 1 2254 223 225 LEU HB2 H 1.389 0.05 1 2255 223 225 LEU HB3 H 1.678 0.05 1 2256 223 225 LEU HG H 1.667 0.05 1 2257 223 225 LEU HD1 H 0.750 0.05 1 2258 223 225 LEU HD2 H 0.668 0.05 1 2259 223 225 LEU CA C 58.154 0.2 1 2260 223 225 LEU CB C 41.825 0.2 1 2261 223 225 LEU CD1 C 22.110 0.2 1 2262 223 225 LEU CD2 C 20.311 0.2 1 2263 223 225 LEU N N 121.975 0.2 1 2264 224 226 ILE H H 8.240 0.05 1 2265 224 226 ILE HA H 3.208 0.05 1 2266 224 226 ILE HB H 1.679 0.05 1 2267 224 226 ILE HG12 H 0.658 0.05 1 2268 224 226 ILE HG13 H 1.316 0.05 1 2269 224 226 ILE HG2 H 0.366 0.05 1 2270 224 226 ILE HD1 H -0.068 0.05 1 2271 224 226 ILE C C 179.677 0.2 1 2272 224 226 ILE CA C 65.070 0.2 1 2273 224 226 ILE CB C 37.027 0.2 1 2274 224 226 ILE CG1 C 26.451 0.2 1 2275 224 226 ILE CG2 C 13.459 0.2 1 2276 224 226 ILE CD1 C 9.407 0.2 1 2277 224 226 ILE N N 117.997 0.2 1 2278 225 227 LYS H H 7.750 0.05 1 2279 225 227 LYS HA H 3.735 0.05 1 2280 225 227 LYS HB2 H 1.668 0.05 2 2281 225 227 LYS HD2 H 1.471 0.05 2 2282 225 227 LYS HE2 H 2.736 0.05 2 2283 225 227 LYS C C 179.188 0.2 1 2284 225 227 LYS CA C 60.234 0.2 1 2285 225 227 LYS CB C 32.200 0.2 1 2286 225 227 LYS CE C 38.762 0.2 1 2287 225 227 LYS N N 122.333 0.2 1 2288 226 228 LYS H H 8.182 0.05 1 2289 226 228 LYS HA H 3.955 0.05 1 2290 226 228 LYS HB2 H 1.749 0.05 1 2291 226 228 LYS HB3 H 1.835 0.05 1 2292 226 228 LYS HG2 H 1.370 0.05 1 2293 226 228 LYS HG3 H 1.236 0.05 1 2294 226 228 LYS HD2 H 1.526 0.05 2 2295 226 228 LYS HE2 H 2.799 0.05 2 2296 226 228 LYS C C 180.435 0.2 1 2297 226 228 LYS CA C 59.016 0.2 1 2298 226 228 LYS CB C 32.840 0.2 1 2299 226 228 LYS CG C 21.924 0.2 1 2300 226 228 LYS CE C 38.916 0.2 1 2301 226 228 LYS N N 118.776 0.2 1 2302 227 229 GLU H H 8.647 0.05 1 2303 227 229 GLU HA H 4.114 0.05 1 2304 227 229 GLU HB2 H 2.035 0.05 1 2305 227 229 GLU HB3 H 1.895 0.05 1 2306 227 229 GLU HG2 H 2.232 0.05 1 2307 227 229 GLU HG3 H 1.991 0.05 1 2308 227 229 GLU C C 178.193 0.2 1 2309 227 229 GLU CA C 57.840 0.2 1 2310 227 229 GLU CB C 29.750 0.2 1 2311 227 229 GLU CG C 33.513 0.2 1 2312 227 229 GLU N N 116.277 0.2 1 2313 228 230 THR H H 7.462 0.05 1 2314 228 230 THR HA H 4.527 0.05 1 2315 228 230 THR HB H 4.192 0.05 1 2316 228 230 THR HG1 H 4.644 0.05 1 2317 228 230 THR HG2 H 1.020 0.05 1 2318 228 230 THR C C 175.640 0.2 1 2319 228 230 THR CA C 60.990 0.2 1 2320 228 230 THR CB C 69.751 0.2 1 2321 228 230 THR CG2 C 18.727 0.2 1 2322 228 230 THR N N 103.842 0.2 1 2323 229 231 LYS H H 7.792 0.05 1 2324 229 231 LYS HA H 3.892 0.05 1 2325 229 231 LYS HB2 H 1.849 0.05 1 2326 229 231 LYS HB3 H 1.510 0.05 1 2327 229 231 LYS HG2 H 1.240 0.05 2 2328 229 231 LYS HD2 H 1.571 0.05 2 2329 229 231 LYS HE2 H 2.864 0.05 2 2330 229 231 LYS C C 176.577 0.2 1 2331 229 231 LYS CA C 57.224 0.2 1 2332 229 231 LYS CB C 29.587 0.2 1 2333 229 231 LYS CG C 21.962 0.2 1 2334 229 231 LYS CD C 25.889 0.2 1 2335 229 231 LYS CE C 39.185 0.2 1 2336 229 231 LYS N N 122.143 0.2 1 2337 230 232 GLY H H 8.220 0.05 1 2338 230 232 GLY HA2 H 4.054 0.05 1 2339 230 232 GLY HA3 H 3.632 0.05 1 2340 230 232 GLY C C 174.765 0.2 1 2341 230 232 GLY CA C 45.204 0.2 1 2342 230 232 GLY N N 104.349 0.2 1 2343 231 233 LYS H H 7.550 0.05 1 2344 231 233 LYS HA H 4.200 0.05 1 2345 231 233 LYS HB2 H 1.914 0.05 1 2346 231 233 LYS HB3 H 1.679 0.05 1 2347 231 233 LYS HG2 H 1.498 0.05 1 2348 231 233 LYS HG3 H 1.410 0.05 1 2349 231 233 LYS HD2 H 1.607 0.05 2 2350 231 233 LYS HE2 H 2.889 0.05 2 2351 231 233 LYS C C 178.119 0.2 1 2352 231 233 LYS CA C 56.599 0.2 1 2353 231 233 LYS CB C 33.083 0.2 1 2354 231 233 LYS CG C 22.108 0.2 1 2355 231 233 LYS CD C 26.129 0.2 1 2356 231 233 LYS CE C 39.026 0.2 1 2357 231 233 LYS N N 118.250 0.2 1 2358 232 234 GLY H H 8.129 0.05 1 2359 232 234 GLY HA2 H 4.613 0.05 1 2360 232 234 GLY HA3 H 3.168 0.05 1 2361 232 234 GLY C C 171.622 0.2 1 2362 232 234 GLY CA C 43.803 0.2 1 2363 232 234 GLY N N 105.073 0.2 1 2364 233 235 SER H H 8.759 0.05 1 2365 233 235 SER HA H 4.643 0.05 1 2366 233 235 SER HB2 H 3.678 0.05 1 2367 233 235 SER HB3 H 3.607 0.05 1 2368 233 235 SER C C 171.898 0.2 1 2369 233 235 SER CA C 57.060 0.2 1 2370 233 235 SER CB C 66.578 0.2 1 2371 233 235 SER N N 114.844 0.2 1 2372 234 236 LEU H H 8.318 0.05 1 2373 234 236 LEU HA H 5.228 0.05 1 2374 234 236 LEU HB2 H 1.363 0.05 1 2375 234 236 LEU HB3 H 1.578 0.05 1 2376 234 236 LEU HG H 1.533 0.05 1 2377 234 236 LEU HD1 H 0.687 0.05 1 2378 234 236 LEU C C 175.270 0.2 1 2379 234 236 LEU CA C 54.163 0.2 1 2380 234 236 LEU CB C 46.303 0.2 1 2381 234 236 LEU CG C 24.537 0.2 1 2382 234 236 LEU CD1 C 23.247 0.2 1 2383 234 236 LEU N N 122.377 0.2 1 2384 235 237 GLU H H 8.920 0.05 1 2385 235 237 GLU HA H 4.547 0.05 1 2386 235 237 GLU HB2 H 1.779 0.05 1 2387 235 237 GLU HB3 H 1.914 0.05 1 2388 235 237 GLU HG2 H 2.041 0.05 1 2389 235 237 GLU HG3 H 1.924 0.05 1 2390 235 237 GLU C C 174.947 0.2 1 2391 235 237 GLU CA C 54.238 0.2 1 2392 235 237 GLU CG C 33.005 0.2 1 2393 235 237 GLU N N 124.654 0.2 1 2394 236 238 VAL H H 8.892 0.05 1 2395 236 238 VAL HA H 4.038 0.05 1 2396 236 238 VAL HB H 1.922 0.05 1 2397 236 238 VAL HG1 H 0.660 0.05 1 2398 236 238 VAL HG2 H 0.611 0.05 1 2399 236 238 VAL C C 176.093 0.2 1 2400 236 238 VAL CA C 62.238 0.2 1 2401 236 238 VAL CB C 30.770 0.2 1 2402 236 238 VAL CG2 C 17.996 0.2 1 2403 236 238 VAL N N 125.389 0.2 1 2404 237 239 LEU H H 9.081 0.05 1 2405 237 239 LEU HA H 4.107 0.05 1 2406 237 239 LEU HB2 H 1.628 0.05 1 2407 237 239 LEU HB3 H 1.489 0.05 1 2408 237 239 LEU HG H 1.345 0.05 1 2409 237 239 LEU HD1 H 0.600 0.05 1 2410 237 239 LEU HD2 H 0.530 0.05 1 2411 237 239 LEU C C 177.171 0.2 1 2412 237 239 LEU CA C 56.538 0.2 1 2413 237 239 LEU CB C 41.562 0.2 1 2414 237 239 LEU CD1 C 22.783 0.2 1 2415 237 239 LEU N N 129.322 0.2 1 2416 238 240 ASN H H 7.605 0.05 1 2417 238 240 ASN HA H 4.286 0.05 1 2418 238 240 ASN HB2 H 3.167 0.05 1 2419 238 240 ASN HB3 H 2.665 0.05 1 2420 238 240 ASN HD21 H 7.452 0.05 1 2421 238 240 ASN HD22 H 6.748 0.05 1 2422 238 240 ASN C C 171.977 0.2 1 2423 238 240 ASN CA C 52.666 0.2 1 2424 238 240 ASN CB C 38.912 0.2 1 2425 238 240 ASN N N 111.028 0.2 1 2426 238 240 ASN ND2 N 112.892 0.2 1 2427 239 241 LEU H H 8.259 0.05 1 2428 239 241 LEU HA H 4.819 0.05 1 2429 239 241 LEU HB2 H 1.063 0.05 1 2430 239 241 LEU HB3 H 1.595 0.05 1 2431 239 241 LEU HG H 1.406 0.05 1 2432 239 241 LEU HD1 H 0.612 0.05 1 2433 239 241 LEU HD2 H 0.510 0.05 1 2434 239 241 LEU C C 176.085 0.2 1 2435 239 241 LEU CA C 53.042 0.2 1 2436 239 241 LEU CB C 43.073 0.2 1 2437 239 241 LEU CD1 C 22.810 0.2 1 2438 239 241 LEU CD2 C 20.931 0.2 1 2439 239 241 LEU N N 117.125 0.2 1 2440 240 242 LYS H H 8.597 0.05 1 2441 240 242 LYS HA H 4.465 0.05 1 2442 240 242 LYS HB2 H 1.597 0.05 1 2443 240 242 LYS HB3 H 1.350 0.05 1 2444 240 242 LYS HG2 H 1.277 0.05 2 2445 240 242 LYS HD2 H 1.475 0.05 1 2446 240 242 LYS HD3 H 1.556 0.05 1 2447 240 242 LYS HE2 H 2.881 0.05 1 2448 240 242 LYS HE3 H 2.851 0.05 1 2449 240 242 LYS C C 174.600 0.2 1 2450 240 242 LYS CA C 54.573 0.2 1 2451 240 242 LYS CB C 35.722 0.2 1 2452 240 242 LYS CG C 21.396 0.2 1 2453 240 242 LYS N N 123.337 0.2 1 2454 241 243 ASP H H 8.466 0.05 1 2455 241 243 ASP HA H 4.401 0.05 1 2456 241 243 ASP HB2 H 2.525 0.05 1 2457 241 243 ASP HB3 H 2.392 0.05 1 2458 241 243 ASP C C 176.139 0.2 1 2459 241 243 ASP CA C 54.722 0.2 1 2460 241 243 ASP CB C 41.068 0.2 1 2461 241 243 ASP N N 126.273 0.2 1 2462 242 244 VAL H H 8.025 0.05 1 2463 242 244 VAL HA H 3.855 0.05 1 2464 242 244 VAL HB H 1.583 0.05 1 2465 242 244 VAL HG1 H 0.520 0.05 1 2466 242 244 VAL HG2 H 0.307 0.05 1 2467 242 244 VAL C C 175.965 0.2 1 2468 242 244 VAL CA C 61.730 0.2 1 2469 242 244 VAL CB C 32.528 0.2 1 2470 242 244 VAL CG1 C 17.946 0.2 1 2471 242 244 VAL CG2 C 17.045 0.2 1 2472 242 244 VAL N N 121.148 0.2 1 2473 243 245 GLU H H 8.587 0.05 1 2474 243 245 GLU HA H 4.126 0.05 1 2475 243 245 GLU HB2 H 1.895 0.05 1 2476 243 245 GLU HB3 H 1.758 0.05 1 2477 243 245 GLU HG2 H 2.100 0.05 2 2478 243 245 GLU CA C 56.066 0.2 1 2479 243 245 GLU CB C 30.458 0.2 1 2480 243 245 GLU CG C 33.022 0.2 1 2481 243 245 GLU N N 126.819 0.2 1 2482 244 246 GLU H H 8.407 0.05 1 2483 244 246 GLU HA H 4.030 0.05 1 2484 244 246 GLU HB2 H 1.873 0.05 1 2485 244 246 GLU HB3 H 1.801 0.05 1 2486 244 246 GLU HG2 H 2.100 0.05 2 2487 244 246 GLU C C 177.330 0.2 1 2488 244 246 GLU CA C 57.213 0.2 1 2489 244 246 GLU CB C 30.502 0.2 1 2490 244 246 GLU CG C 33.165 0.2 1 2491 244 246 GLU N N 123.127 0.2 1 2492 245 247 GLY H H 8.418 0.05 1 2493 245 247 GLY HA2 H 4.043 0.05 1 2494 245 247 GLY HA3 H 3.795 0.05 1 2495 245 247 GLY C C 174.252 0.2 1 2496 245 247 GLY CA C 45.183 0.2 1 2497 245 247 GLY N N 109.963 0.2 1 2498 246 248 ASP H H 7.964 0.05 1 2499 246 248 ASP HA H 4.389 0.05 1 2500 246 248 ASP HB2 H 2.550 0.05 1 2501 246 248 ASP HB3 H 2.492 0.05 1 2502 246 248 ASP C C 176.513 0.2 1 2503 246 248 ASP CA C 54.708 0.2 1 2504 246 248 ASP CB C 41.462 0.2 1 2505 246 248 ASP N N 120.708 0.2 1 2506 247 249 GLU H H 8.182 0.05 1 2507 247 249 GLU HA H 4.054 0.05 1 2508 247 249 GLU HB2 H 1.800 0.05 1 2509 247 249 GLU HB3 H 1.729 0.05 1 2510 247 249 GLU HG2 H 2.037 0.05 1 2511 247 249 GLU HG3 H 1.969 0.05 1 2512 247 249 GLU C C 176.016 0.2 1 2513 247 249 GLU CA C 56.426 0.2 1 2514 247 249 GLU CB C 30.024 0.2 1 2515 247 249 GLU CG C 33.157 0.2 1 2516 247 249 GLU N N 120.922 0.2 1 2517 248 250 LYS H H 7.988 0.05 1 2518 248 250 LYS HA H 4.096 0.05 1 2519 248 250 LYS HB2 H 1.557 0.05 1 2520 248 250 LYS HB3 H 1.530 0.05 1 2521 248 250 LYS HG2 H 1.162 0.05 1 2522 248 250 LYS HG3 H 1.136 0.05 1 2523 248 250 LYS HD2 H 1.464 0.05 2 2524 248 250 LYS HE2 H 2.787 0.05 2 2525 248 250 LYS C C 176.255 0.2 1 2526 248 250 LYS CA C 56.079 0.2 1 2527 248 250 LYS CB C 32.974 0.2 1 2528 248 250 LYS CG C 21.643 0.2 1 2529 248 250 LYS CD C 25.770 0.2 1 2530 248 250 LYS CE C 38.981 0.2 1 2531 248 250 LYS N N 121.703 0.2 1 2532 249 251 PHE H H 8.246 0.05 1 2533 249 251 PHE HA H 4.405 0.05 1 2534 249 251 PHE HB2 H 2.786 0.05 1 2535 249 251 PHE HB3 H 3.050 0.05 1 2536 249 251 PHE HD1 H 7.055 0.05 3 2537 249 251 PHE HE1 H 7.162 0.05 3 2538 249 251 PHE C C 174.559 0.2 1 2539 249 251 PHE CA C 57.486 0.2 1 2540 249 251 PHE CB C 39.363 0.2 1 2541 249 251 PHE N N 121.809 0.2 1 2542 250 252 GLU H H 7.706 0.05 1 2543 250 252 GLU HA H 3.949 0.05 1 2544 250 252 GLU HB2 H 1.717 0.05 1 2545 250 252 GLU HB3 H 1.883 0.05 1 2546 250 252 GLU HG2 H 2.009 0.05 2 2547 250 252 GLU C C 180.942 0.2 1 2548 250 252 GLU CA C 57.647 0.2 1 2549 250 252 GLU CB C 31.384 0.2 1 2550 250 252 GLU CG C 33.447 0.2 1 2551 250 252 GLU N N 126.235 0.2 1 stop_ save_