data_19239 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; 2C TCR ; _BMRB_accession_number 19239 _BMRB_flat_file_name bmr19239.str _Entry_type original _Submission_date 2013-05-14 _Accession_date 2013-05-14 _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 Hawse Bill . . 2 Baker Brian . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 188 "13C chemical shifts" 543 "15N chemical shifts" 188 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2013-07-23 original author . stop_ _Original_release_date 2013-07-23 save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title 'Assigned Chemical Shifts for the mini 2C TCR' _Citation_status 'in preparation' _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID ? loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Hawse WIlliam . . 2 Baker Brian . . stop_ _Journal_abbreviation 'Not known' _Journal_volume . _Journal_issue . _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first . _Page_last . _Year . _Details . save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name '2c TCR' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label 2c_TCR $2c_TCR 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_2c_TCR _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common 2c_TCR _Molecular_mass . _Mol_thiol_state 'all disulfide bound' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 248 _Mol_residue_sequence ; EAAVTQSPRNKVAVTGEKVT LSCNQTNNHNNMYWYRQDTG HELRLIHYSYGAGSTEKGDI PDGYKASRPSQENFSLTLES ATPSQTSVYFCASGGGGTLY FGAGTRLSVLSSADDAKKDA AKKDDAKKDDAKKDAQSVTQ PDARVTVSEGASLQLRCKYS YSATPYLFWYVQYPRQGPQL LLKYYSGDPVVQGVNGFEAE FSKSNSSFHLRKASVHRSDS AVYFCAVSGFASALTFGSGT KVIVLPYN ; loop_ _Residue_seq_code _Residue_label 1 GLU 2 ALA 3 ALA 4 VAL 5 THR 6 GLN 7 SER 8 PRO 9 ARG 10 ASN 11 LYS 12 VAL 13 ALA 14 VAL 15 THR 16 GLY 17 GLU 18 LYS 19 VAL 20 THR 21 LEU 22 SER 23 CYS 24 ASN 25 GLN 26 THR 27 ASN 28 ASN 29 HIS 30 ASN 31 ASN 32 MET 33 TYR 34 TRP 35 TYR 36 ARG 37 GLN 38 ASP 39 THR 40 GLY 41 HIS 42 GLU 43 LEU 44 ARG 45 LEU 46 ILE 47 HIS 48 TYR 49 SER 50 TYR 51 GLY 52 ALA 53 GLY 54 SER 55 THR 56 GLU 57 LYS 58 GLY 59 ASP 60 ILE 61 PRO 62 ASP 63 GLY 64 TYR 65 LYS 66 ALA 67 SER 68 ARG 69 PRO 70 SER 71 GLN 72 GLU 73 ASN 74 PHE 75 SER 76 LEU 77 THR 78 LEU 79 GLU 80 SER 81 ALA 82 THR 83 PRO 84 SER 85 GLN 86 THR 87 SER 88 VAL 89 TYR 90 PHE 91 CYS 92 ALA 93 SER 94 GLY 95 GLY 96 GLY 97 GLY 98 THR 99 LEU 100 TYR 101 PHE 102 GLY 103 ALA 104 GLY 105 THR 106 ARG 107 LEU 108 SER 109 VAL 110 LEU 111 SER 112 SER 113 ALA 114 ASP 115 ASP 116 ALA 117 LYS 118 LYS 119 ASP 120 ALA 121 ALA 122 LYS 123 LYS 124 ASP 125 ASP 126 ALA 127 LYS 128 LYS 129 ASP 130 ASP 131 ALA 132 LYS 133 LYS 134 ASP 135 ALA 136 GLN 137 SER 138 VAL 139 THR 140 GLN 141 PRO 142 ASP 143 ALA 144 ARG 145 VAL 146 THR 147 VAL 148 SER 149 GLU 150 GLY 151 ALA 152 SER 153 LEU 154 GLN 155 LEU 156 ARG 157 CYS 158 LYS 159 TYR 160 SER 161 TYR 162 SER 163 ALA 164 THR 165 PRO 166 TYR 167 LEU 168 PHE 169 TRP 170 TYR 171 VAL 172 GLN 173 TYR 174 PRO 175 ARG 176 GLN 177 GLY 178 PRO 179 GLN 180 LEU 181 LEU 182 LEU 183 LYS 184 TYR 185 TYR 186 SER 187 GLY 188 ASP 189 PRO 190 VAL 191 VAL 192 GLN 193 GLY 194 VAL 195 ASN 196 GLY 197 PHE 198 GLU 199 ALA 200 GLU 201 PHE 202 SER 203 LYS 204 SER 205 ASN 206 SER 207 SER 208 PHE 209 HIS 210 LEU 211 ARG 212 LYS 213 ALA 214 SER 215 VAL 216 HIS 217 ARG 218 SER 219 ASP 220 SER 221 ALA 222 VAL 223 TYR 224 PHE 225 CYS 226 ALA 227 VAL 228 SER 229 GLY 230 PHE 231 ALA 232 SER 233 ALA 234 LEU 235 THR 236 PHE 237 GLY 238 SER 239 GLY 240 THR 241 LYS 242 VAL 243 ILE 244 VAL 245 LEU 246 PRO 247 TYR 248 ASN stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date . save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species $2c_TCR Mouse 10090 Eukaryota Metazoa Mus musculus 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 $2c_TCR 'recombinant technology' . Escherichia coli . pet28a stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $2c_TCR 0.6 mM '[U-99% 13C; U-99% 15N]' 'sodium chloride' 10 mM 'natural abundance' TRIS 20 mM 'natural abundance' H2O 90 % 'natural abundance' D2O 10 % 'natural abundance' stop_ save_ ############################ # Computer software used # ############################ save_Analysis _Saveframe_category software _Name Analysis _Version . loop_ _Vendor _Address _Electronic_address CCPN . . stop_ loop_ _Task 'data analysis' stop_ _Details . save_ save_TOPSPIN _Saveframe_category software _Name TOPSPIN _Version . loop_ _Vendor _Address _Electronic_address 'Bruker Biospin' . . stop_ loop_ _Task 'data analysis' stop_ _Details . save_ save_SPARKY _Saveframe_category software _Name SPARKY _Version . loop_ _Vendor _Address _Electronic_address Goddard . . stop_ loop_ _Task 'data analysis' stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _Field_strength 800 _Details . save_ ############################# # NMR applied experiments # ############################# save_2D_1H-15N_HSQC_1 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N HSQC' _Sample_label $sample_1 save_ save_3D_HNCO_2 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCO' _Sample_label $sample_1 save_ save_3D_HNCA_3 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCA' _Sample_label $sample_1 save_ save_3D_CBCA(CO)NH_4 _Saveframe_category NMR_applied_experiment _Experiment_name '3D CBCA(CO)NH' _Sample_label $sample_1 save_ save_3D_HNCACB_5 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCACB' _Sample_label $sample_1 save_ save_3D_HN(CO)CA_6 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HN(CO)CA' _Sample_label $sample_1 save_ save_3D_HCACO_7 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HCACO' _Sample_label $sample_1 save_ save_NMR_spectrometer_expt _Saveframe_category NMR_applied_experiment _Experiment_name . _BMRB_pulse_sequence_accession_number . _Details . save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units 'ionic strength' 50 . mM pH 7.5 . pH pressure 1 . atm temperature 298 . K stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_ref _Saveframe_category chemical_shift_reference _Details . loop_ _Mol_common_name _Atom_type _Atom_isotope_number _Atom_group _Chem_shift_units _Chem_shift_value _Reference_method _Reference_type _External_reference_sample_geometry _External_reference_location _External_reference_axis _Indirect_shift_ratio DSS C 13 'methyl protons' ppm 0.00 na indirect . . . 0.251449530 DSS H 1 'methyl protons' ppm 0.00 internal direct . . . 1.000000000 DSS N 15 'methyl protons' ppm 0.00 na indirect . . . 0.101329118 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chem_shift_list_1 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Experiment_label '2D 1H-15N HSQC' '3D HNCO' '3D HNCA' '3D CBCA(CO)NH' '3D HNCACB' '3D HN(CO)CA' '3D HCACO' stop_ loop_ _Sample_label $sample_1 stop_ _Sample_conditions_label $sample_conditions_1 _Chem_shift_reference_set_label $ref _Mol_system_component_name 2c_TCR _Text_data_format . _Text_data . loop_ _Atom_shift_assign_ID _Residue_author_seq_code _Residue_seq_code _Residue_label _Atom_name _Atom_type _Chem_shift_value _Chem_shift_value_error _Chem_shift_ambiguity_code 1 3 3 ALA H H 8.066 0.02 1 2 3 3 ALA C C 173.532 0.3 1 3 3 3 ALA CA C 49.553 0.3 1 4 3 3 ALA CB C 16.652 0.3 1 5 3 3 ALA N N 125.579 0.3 1 6 4 4 VAL H H 7.771 0.02 1 7 4 4 VAL C C 173.556 0.3 1 8 4 4 VAL CA C 58.214 0.3 1 9 4 4 VAL CB C 34.897 0.3 1 10 4 4 VAL N N 129.277 0.3 1 11 5 5 THR H H 9.277 0.02 1 12 5 5 THR C C 171.61 0.3 1 13 5 5 THR CA C 59.293 0.3 1 14 5 5 THR CB C 67.017 0.3 1 15 5 5 THR N N 120.914 0.3 1 16 6 6 GLN H H 8.356 0.02 1 17 6 6 GLN C C 171.345 0.3 1 18 6 6 GLN CA C 50.86 0.3 1 19 6 6 GLN CB C 27.902 0.3 1 20 6 6 GLN N N 124.008 0.3 1 21 7 7 SER H H 8.694 0.02 1 22 7 7 SER C C 168.852 0.3 1 23 7 7 SER CA C 52.847 0.3 1 24 7 7 SER CB C 61.585 0.3 1 25 7 7 SER N N 116.338 0.3 1 26 9 9 ARG H H 8.745 0.02 1 27 9 9 ARG C C 173.607 0.3 1 28 9 9 ARG CA C 58.403 0.3 1 29 9 9 ARG CB C 34.501 0.3 1 30 9 9 ARG N N 120.907 0.3 1 31 10 10 ASN H H 7.602 0.02 1 32 10 10 ASN C C 171.405 0.3 1 33 10 10 ASN CA C 55.621 0.3 1 34 10 10 ASN CB C 39.622 0.3 1 35 10 10 ASN N N 117.231 0.3 1 36 11 11 LYS H H 8.729 0.02 1 37 11 11 LYS C C 173.652 0.3 1 38 11 11 LYS CA C 54.821 0.3 1 39 11 11 LYS CB C 35.55 0.3 1 40 11 11 LYS N N 123.52 0.3 1 41 12 12 VAL H H 8.786 0.02 1 42 12 12 VAL C C 170.94 0.3 1 43 12 12 VAL CA C 58.31 0.3 1 44 12 12 VAL CB C 31.93 0.3 1 45 12 12 VAL N N 129.789 0.3 1 46 13 13 ALA H H 9.229 0.02 1 47 13 13 ALA C C 172.23 0.3 1 48 13 13 ALA CA C 50.21 0.3 1 49 13 13 ALA CB C 20.76 0.3 1 50 13 13 ALA N N 131 0.3 1 51 14 14 VAL H H 8.18 0.02 1 52 14 14 VAL C C 172.95 0.3 1 53 14 14 VAL CA C 57.12 0.3 1 54 14 14 VAL CB C 31.31 0.3 1 55 14 14 VAL N N 116.2 0.3 1 56 15 15 THR H H 7.815 0.02 1 57 15 15 THR C C 171.93 0.3 1 58 15 15 THR CA C 62.36 0.3 1 59 15 15 THR CB C 31.57 0.3 1 60 15 15 THR N N 118.554 0.3 1 61 16 16 GLY H H 9.69 0.02 1 62 16 16 GLY C C 170.82 0.3 1 63 16 16 GLY CA C 42.58 0.3 1 64 16 16 GLY N N 116.43 0.3 1 65 17 17 GLU H H 7.938 0.02 1 66 17 17 GLU C C 171.38 0.3 1 67 17 17 GLU CA C 54.34 0.3 1 68 17 17 GLU CB C 30.24 0.3 1 69 17 17 GLU N N 121.35 0.3 1 70 18 18 LYS H H 8.314 0.02 1 71 18 18 LYS C C 170.35 0.3 1 72 18 18 LYS CA C 50.96 0.3 1 73 18 18 LYS CB C 229.2 0.3 1 74 18 18 LYS N N 123.51 0.3 1 75 19 19 VAL H H 8.207 0.02 1 76 19 19 VAL C C 171.363 0.3 1 77 19 19 VAL CA C 52.166 0.3 1 78 19 19 VAL CB C 34.063 0.3 1 79 19 19 VAL N N 126.021 0.3 1 80 20 20 THR H H 8.916 0.02 1 81 20 20 THR C C 170.462 0.3 1 82 20 20 THR CA C 58.524 0.3 1 83 20 20 THR CB C 66.549 0.3 1 84 20 20 THR N N 116.201 0.3 1 85 21 21 LEU H H 9.102 0.02 1 86 21 21 LEU C C 172.682 0.3 1 87 21 21 LEU CA C 57.85 0.3 1 88 21 21 LEU CB C 40.98 0.3 1 89 21 21 LEU N N 129.177 0.3 1 90 22 22 SER H H 9.342 0.02 1 91 22 22 SER C C 173.154 0.3 1 92 22 22 SER CA C 55.66 0.3 1 93 22 22 SER CB C 62.678 0.3 1 94 22 22 SER N N 119.327 0.3 1 95 24 24 ASN H H 9.061 0.02 1 96 24 24 ASN C C 172.092 0.3 1 97 24 24 ASN CA C 52.044 0.3 1 98 24 24 ASN CB C 39.605 0.3 1 99 24 24 ASN N N 125.865 0.3 1 100 25 25 GLN H H 8.73 0.02 1 101 25 25 GLN C C 173.691 0.3 1 102 25 25 GLN CA C 54.77 0.3 1 103 25 25 GLN CB C 30.622 0.3 1 104 25 25 GLN N N 123.543 0.3 1 105 26 26 THR H H 8.656 0.02 1 106 26 26 THR C C 172.521 0.3 1 107 26 26 THR CA C 62.123 0.3 1 108 26 26 THR CB C 66.681 0.3 1 109 26 26 THR N N 115.805 0.3 1 110 27 27 ASN H H 7.916 0.02 1 111 27 27 ASN C C 174.732 0.3 1 112 27 27 ASN CA C 52.376 0.3 1 113 27 27 ASN CB C 38.255 0.3 1 114 27 27 ASN N N 118.657 0.3 1 115 28 28 ASN H H 8.554 0.02 1 116 28 28 ASN C C 173.936 0.3 1 117 28 28 ASN CA C 55.011 0.3 1 118 28 28 ASN CB C 37.414 0.3 1 119 28 28 ASN N N 116.352 0.3 1 120 29 29 HIS H H 7.502 0.02 1 121 29 29 HIS C C 170.454 0.3 1 122 29 29 HIS CA C 53.604 0.3 1 123 29 29 HIS CB C 29.415 0.3 1 124 29 29 HIS N N 115.372 0.3 1 125 30 30 ASN H H 8.462 0.02 1 126 30 30 ASN C C 174.243 0.3 1 127 30 30 ASN CA C 57.184 0.3 1 128 30 30 ASN CB C 42.018 0.3 1 129 30 30 ASN N N 122.1 0.3 1 130 31 31 ASN H H 7.891 0.02 1 131 31 31 ASN C C 171.092 0.3 1 132 31 31 ASN CA C 54.744 0.3 1 133 31 31 ASN CB C 36.109 0.3 1 134 31 31 ASN N N 114.507 0.3 1 135 32 32 MET H H 7.926 0.02 1 136 32 32 MET C C 171.113 0.3 1 137 32 32 MET CA C 59.282 0.3 1 138 32 32 MET CB C 34.477 0.3 1 139 32 32 MET N N 120.976 0.3 1 140 33 33 TYR H H 9.302 0.02 1 141 33 33 TYR C C 174.024 0.3 1 142 33 33 TYR CA C 51.732 0.3 1 143 33 33 TYR CB C 38.482 0.3 1 144 33 33 TYR N N 117.478 0.3 1 145 34 34 TRP H H 9.809 0.02 1 146 34 34 TRP C C 172.803 0.3 1 147 34 34 TRP CA C 54.211 0.3 1 148 34 34 TRP CB C 32.555 0.3 1 149 34 34 TRP N N 122.492 0.3 1 150 35 35 TYR H H 10.253 0.02 1 151 35 35 TYR C C 171.404 0.3 1 152 35 35 TYR CA C 54.276 0.3 1 153 35 35 TYR CB C 42.519 0.3 1 154 35 35 TYR N N 122.754 0.3 1 155 36 36 ARG H H 8.971 0.02 1 156 36 36 ARG C C 170.394 0.3 1 157 36 36 ARG CA C 55.437 0.3 1 158 36 36 ARG CB C 34.303 0.3 1 159 36 36 ARG N N 116.927 0.3 1 160 37 37 GLN H H 9.032 0.02 1 161 37 37 GLN C C 170.519 0.3 1 162 37 37 GLN CA C 54.288 0.3 1 163 37 37 GLN CB C 32.841 0.3 1 164 37 37 GLN N N 122.839 0.3 1 165 38 38 ASP H H 8.716 0.02 1 166 38 38 ASP C C 171.943 0.3 1 167 38 38 ASP CA C 58.829 0.3 1 168 38 38 ASP CB C 39.835 0.3 1 169 38 38 ASP N N 129.804 0.3 1 170 39 39 THR H H 7.995 0.02 1 171 39 39 THR C C 175.307 0.3 1 172 39 39 THR CA C 62.888 0.3 1 173 39 39 THR CB C 70.074 0.3 1 174 39 39 THR N N 107.737 0.3 1 175 40 40 GLY H H 8.522 0.02 1 176 40 40 GLY C C 171.93 0.3 1 177 40 40 GLY CA C 42.519 0.3 1 178 40 40 GLY N N 110.267 0.3 1 179 41 41 HIS H H 7.957 0.02 1 180 41 41 HIS C C 171.933 0.3 1 181 41 41 HIS CA C 54.064 0.3 1 182 41 41 HIS CB C 32.128 0.3 1 183 41 41 HIS N N 114.583 0.3 1 184 42 42 GLU H H 8.862 0.02 1 185 42 42 GLU C C 170.971 0.3 1 186 42 42 GLU CA C 53.957 0.3 1 187 42 42 GLU CB C 30.451 0.3 1 188 42 42 GLU N N 120.838 0.3 1 189 43 43 LEU H H 7.792 0.02 1 190 43 43 LEU C C 169.847 0.3 1 191 43 43 LEU CA C 53.073 0.3 1 192 43 43 LEU CB C 42.776 0.3 1 193 43 43 LEU N N 126.012 0.3 1 194 44 44 ARG H H 8.923 0.02 1 195 44 44 ARG C C 171.487 0.3 1 196 44 44 ARG CA C 53.838 0.3 1 197 44 44 ARG CB C 28.403 0.3 1 198 44 44 ARG N N 122.113 0.3 1 199 45 45 LEU H H 8.923 0.02 1 200 45 45 LEU C C 170.011 0.3 1 201 45 45 LEU CA C 51.249 0.3 1 202 45 45 LEU CB C 45.063 0.3 1 203 45 45 LEU N N 127.117 0.3 1 204 46 46 ILE H H 9.094 0.02 1 205 46 46 ILE C C 172.578 0.3 1 206 46 46 ILE CA C 52.542 0.3 1 207 46 46 ILE CB C 36.032 0.3 1 208 46 46 ILE N N 125.807 0.3 1 209 47 47 HIS H H 7.719 0.02 1 210 47 47 HIS C C 174.756 0.3 1 211 47 47 HIS CA C 58.862 0.3 1 212 47 47 HIS CB C 30.076 0.3 1 213 47 47 HIS N N 117.439 0.3 1 214 48 48 TYR H H 8.827 0.02 1 215 48 48 TYR C C 171.829 0.3 1 216 48 48 TYR CA C 55.941 0.3 1 217 48 48 TYR CB C 41.308 0.3 1 218 48 48 TYR N N 116.274 0.3 1 219 49 49 SER H H 8.298 0.02 1 220 49 49 SER C C 173.806 0.3 1 221 49 49 SER CA C 58.282 0.3 1 222 49 49 SER CB C 57.585 0.3 1 223 49 49 SER N N 113.201 0.3 1 224 50 50 TYR H H 8.828 0.02 1 225 50 50 TYR C C 172.591 0.3 1 226 50 50 TYR CA C 52.873 0.3 1 227 50 50 TYR CB C 35.246 0.3 1 228 50 50 TYR N N 117.307 0.3 1 229 51 51 GLY H H 7.446 0.02 1 230 51 51 GLY C C 168.936 0.3 1 231 51 51 GLY CA C 42.549 0.3 1 232 51 51 GLY N N 105.778 0.3 1 233 52 52 ALA H H 8.634 0.02 1 234 52 52 ALA C C 176.082 0.3 1 235 52 52 ALA CA C 51.078 0.3 1 236 52 52 ALA CB C 15.051 0.3 1 237 52 52 ALA N N 121.457 0.3 1 238 53 53 GLY H H 8.833 0.02 1 239 53 53 GLY C C 171.077 0.3 1 240 53 53 GLY CA C 42.965 0.3 1 241 53 53 GLY N N 110.672 0.3 1 242 54 54 SER H H 7.974 0.02 1 243 54 54 SER C C 170.395 0.3 1 244 54 54 SER CA C 53.997 0.3 1 245 54 54 SER CB C 62.151 0.3 1 246 54 54 SER N N 114.581 0.3 1 247 55 55 THR H H 8.325 0.02 1 248 55 55 THR C C 168.882 0.3 1 249 55 55 THR CA C 57.986 0.3 1 250 55 55 THR N N 116.219 0.3 1 251 56 56 GLU H H 8.78 0.02 1 252 56 56 GLU C C 172.213 0.3 1 253 56 56 GLU CA C 50.863 0.3 1 254 56 56 GLU CB C 29.156 0.3 1 255 56 56 GLU N N 121.419 0.3 1 256 57 57 LYS H H 8.167 0.02 1 257 57 57 LYS C C 171.452 0.3 1 258 57 57 LYS CA C 49.879 0.3 1 259 57 57 LYS CB C 33.739 0.3 1 260 57 57 LYS N N 181.007 0.3 1 261 58 58 GLY H H 8.451 0.02 1 262 58 58 GLY C C 172.723 0.3 1 263 58 58 GLY CA C 44.809 0.3 1 264 58 58 GLY N N 113.009 0.3 1 265 59 59 ASP H H 8.669 0.02 1 266 59 59 ASP C C 173.407 0.3 1 267 59 59 ASP CA C 55.055 0.3 1 268 59 59 ASP CB C 39.727 0.3 1 269 59 59 ASP N N 124.405 0.3 1 270 60 60 ILE H H 7.924 0.02 1 271 60 60 ILE C C 174.156 0.3 1 272 60 60 ILE CA C 54.888 0.3 1 273 60 60 ILE CB C 38.215 0.3 1 274 60 60 ILE N N 112.602 0.3 1 275 62 62 ASP H H 8.477 0.02 1 276 62 62 ASP C C 173.436 0.3 1 277 62 62 ASP CA C 52.869 0.3 1 278 62 62 ASP CB C 39.504 0.3 1 279 62 62 ASP N N 119.804 0.3 1 280 63 63 GLY H H 8.555 0.02 1 281 63 63 GLY C C 168.943 0.3 1 282 63 63 GLY CA C 52.862 0.3 1 283 63 63 GLY N N 111.747 0.3 1 284 64 64 TYR H H 8.965 0.02 1 285 64 64 TYR C C 172.433 0.3 1 286 64 64 TYR CA C 55.595 0.3 1 287 64 64 TYR CB C 35.791 0.3 1 288 64 64 TYR N N 115.304 0.3 1 289 65 65 LYS H H 7.988 0.02 1 290 65 65 LYS C C 174.606 0.3 1 291 65 65 LYS CA C 49.709 0.3 1 292 65 65 LYS CB C 38.207 0.3 1 293 65 65 LYS N N 124.985 0.3 1 294 66 66 ALA H H 8.164 0.02 1 295 66 66 ALA C C 173.306 0.3 1 296 66 66 ALA CA C 47.487 0.3 1 297 66 66 ALA CB C 19.864 0.3 1 298 66 66 ALA N N 122.944 0.3 1 299 67 67 SER H H 8.209 0.02 1 300 67 67 SER C C 171.297 0.3 1 301 67 67 SER CA C 54.006 0.3 1 302 67 67 SER CB C 62.189 0.3 1 303 67 67 SER N N 113.131 0.3 1 304 68 68 ARG H H 8.216 0.02 1 305 68 68 ARG C C 172.524 0.3 1 306 68 68 ARG CA C 51.427 0.3 1 307 68 68 ARG CB C 29.545 0.3 1 308 68 68 ARG N N 125.209 0.3 1 309 71 71 GLN H H 8.43 0.02 1 310 71 71 GLN C C 171.219 0.3 1 311 71 71 GLN CA C 61.766 0.3 1 312 71 71 GLN CB C 27.481 0.3 1 313 71 71 GLN N N 119.205 0.3 1 314 72 72 GLU H H 8.564 0.02 1 315 72 72 GLU C C 174.439 0.3 1 316 72 72 GLU CA C 59.292 0.3 1 317 72 72 GLU CB C 27.485 0.3 1 318 72 72 GLU N N 114.343 0.3 1 319 73 73 ASN H H 7.419 0.02 1 320 73 73 ASN C C 168.589 0.3 1 321 73 73 ASN CA C 57.936 0.3 1 322 73 73 ASN CB C 40.254 0.3 1 323 73 73 ASN N N 117.67 0.3 1 324 74 74 PHE H H 8.586 0.02 1 325 74 74 PHE C C 174.226 0.3 1 326 74 74 PHE CA C 55.234 0.3 1 327 74 74 PHE CB C 39.034 0.3 1 328 74 74 PHE N N 125.204 0.3 1 329 75 75 SER H H 9.603 0.02 1 330 75 75 SER C C 174.229 0.3 1 331 75 75 SER CA C 54.149 0.3 1 332 75 75 SER CB C 62.756 0.3 1 333 75 75 SER N N 122.146 0.3 1 334 76 76 LEU H H 8.826 0.02 1 335 76 76 LEU C C 172.642 0.3 1 336 76 76 LEU CA C 54.349 0.3 1 337 76 76 LEU CB C 42.841 0.3 1 338 76 76 LEU N N 123.389 0.3 1 339 77 77 THR H H 8.841 0.02 1 340 77 77 THR C C 171.522 0.3 1 341 77 77 THR CA C 58.331 0.3 1 342 77 77 THR CB C 70.523 0.3 1 343 77 77 THR N N 121.819 0.3 1 344 78 78 LEU H H 8.954 0.02 1 345 78 78 LEU C C 172.267 0.3 1 346 78 78 LEU CA C 53.093 0.3 1 347 78 78 LEU CB C 42.427 0.3 1 348 78 78 LEU N N 129.863 0.3 1 349 79 79 GLU H H 8.203 0.02 1 350 79 79 GLU C C 173.522 0.3 1 351 79 79 GLU CA C 57.025 0.3 1 352 79 79 GLU CB C 27.508 0.3 1 353 79 79 GLU N N 120.938 0.3 1 354 80 80 SER H H 7.847 0.02 1 355 80 80 SER C C 170.447 0.3 1 356 80 80 SER CA C 53.436 0.3 1 357 80 80 SER CB C 59.256 0.3 1 358 80 80 SER N N 110.671 0.3 1 359 81 81 ALA H H 8.614 0.02 1 360 81 81 ALA C C 175.689 0.3 1 361 81 81 ALA CA C 50.634 0.3 1 362 81 81 ALA CB C 15.961 0.3 1 363 81 81 ALA N N 127.859 0.3 1 364 82 82 THR H H 8.553 0.02 1 365 82 82 THR C C 171.356 0.3 1 366 82 82 THR CA C 55.957 0.3 1 367 82 82 THR CB C 65.546 0.3 1 368 82 82 THR N N 113.506 0.3 1 369 86 86 THR H H 7.284 0.02 1 370 86 86 THR C C 171.675 0.3 1 371 86 86 THR CA C 59.155 0.3 1 372 86 86 THR CB C 67.188 0.3 1 373 86 86 THR N N 122.909 0.3 1 374 87 87 SER H H 8.172 0.02 1 375 87 87 SER C C 170.325 0.3 1 376 87 87 SER CA C 57.177 0.3 1 377 87 87 SER CB C 61.105 0.3 1 378 87 87 SER N N 122.906 0.3 1 379 88 88 VAL H H 8.319 0.02 1 380 88 88 VAL C C 170.324 0.3 1 381 88 88 VAL CA C 60.972 0.3 1 382 88 88 VAL CB C 29.958 0.3 1 383 88 88 VAL N N 118.049 0.3 1 384 89 89 TYR H H 9.174 0.02 1 385 89 89 TYR C C 171.401 0.3 1 386 89 89 TYR CA C 56.167 0.3 1 387 89 89 TYR CB C 41.535 0.3 1 388 89 89 TYR N N 127.703 0.3 1 389 90 90 PHE H H 9.559 0.02 1 390 90 90 PHE C C 171.229 0.3 1 391 90 90 PHE CA C 58.945 0.3 1 392 90 90 PHE CB C 39.471 0.3 1 393 90 90 PHE N N 120.509 0.3 1 394 91 91 CYS H H 8.313 0.02 1 395 91 91 CYS C C 170.453 0.3 1 396 91 91 CYS CA C 53.876 0.3 1 397 91 91 CYS CB C 27.243 0.3 1 398 91 91 CYS N N 128.907 0.3 1 399 92 92 ALA H H 8.71 0.02 1 400 92 92 ALA C C 173.217 0.3 1 401 92 92 ALA CA C 47.301 0.3 1 402 92 92 ALA CB C 19.364 0.3 1 403 92 92 ALA N N 129.677 0.3 1 404 93 93 SER H H 9.063 0.02 1 405 93 93 SER C C 169.913 0.3 1 406 93 93 SER CA C 54.458 0.3 1 407 93 93 SER CB C 62.292 0.3 1 408 93 93 SER N N 116.025 0.3 1 409 94 94 GLY H H 8.562 0.02 1 410 94 94 GLY C C 169.021 0.3 1 411 94 94 GLY CA C 42.479 0.3 1 412 94 94 GLY N N 106.848 0.3 1 413 95 95 GLY H H 8.178 0.02 1 414 95 95 GLY C C 169.671 0.3 1 415 95 95 GLY CA C 42.228 0.3 1 416 95 95 GLY N N 108.506 0.3 1 417 96 96 GLY H H 7.492 0.02 1 418 96 96 GLY C C 170.035 0.3 1 419 96 96 GLY CA C 40.822 0.3 1 420 96 96 GLY N N 108.305 0.3 1 421 97 97 GLY H H 7.092 0.02 1 422 97 97 GLY C C 170.057 0.3 1 423 97 97 GLY CA C 42.312 0.3 1 424 97 97 GLY N N 108.208 0.3 1 425 98 98 THR H H 8.345 0.02 1 426 98 98 THR C C 171.254 0.3 1 427 98 98 THR CA C 59.106 0.3 1 428 98 98 THR N N 118.906 0.3 1 429 99 99 LEU H H 6.942 0.02 1 430 99 99 LEU C C 170.343 0.3 1 431 99 99 LEU CA C 55.037 0.3 1 432 99 99 LEU CB C 42.631 0.3 1 433 99 99 LEU N N 124.647 0.3 1 434 100 100 TYR H H 8.339 0.02 1 435 100 100 TYR C C 172.459 0.3 1 436 100 100 TYR CA C 57.766 0.3 1 437 100 100 TYR CB C 35.838 0.3 1 438 100 100 TYR N N 118.921 0.3 1 439 101 101 PHE H H 8.624 0.02 1 440 101 101 PHE C C 173.539 0.3 1 441 101 101 PHE CA C 51.767 0.3 1 442 101 101 PHE CB C 42.596 0.3 1 443 101 101 PHE N N 123.207 0.3 1 444 102 102 GLY H H 8.728 0.02 1 445 102 102 GLY C C 173.672 0.3 1 446 102 102 GLY CA C 42.808 0.3 1 447 102 102 GLY N N 106.404 0.3 1 448 103 103 ALA H H 8.558 0.02 1 449 103 103 ALA C C 175.868 0.3 1 450 103 103 ALA CA C 50.634 0.3 1 451 103 103 ALA CB C 16.728 0.3 1 452 103 103 ALA N N 121.005 0.3 1 453 104 104 GLY H H 6.901 0.02 1 454 104 104 GLY C C 174.156 0.3 1 455 104 104 GLY CA C 42.341 0.3 1 456 104 104 GLY N N 102.796 0.3 1 457 105 105 THR H H 8.393 0.02 1 458 105 105 THR C C 170.878 0.3 1 459 105 105 THR CA C 62.063 0.3 1 460 105 105 THR CB C 70.567 0.3 1 461 105 105 THR N N 116.903 0.3 1 462 106 106 ARG H H 8.781 0.02 1 463 106 106 ARG C C 170.191 0.3 1 464 106 106 ARG CA C 52.948 0.3 1 465 106 106 ARG CB C 29.214 0.3 1 466 106 106 ARG N N 126.032 0.3 1 467 107 107 LEU H H 8.88 0.02 1 468 107 107 LEU C C 172.157 0.3 1 469 107 107 LEU CA C 57.172 0.3 1 470 107 107 LEU CB C 40.939 0.3 1 471 107 107 LEU N N 125.021 0.3 1 472 144 144 ARG H H 8.171 0.02 1 473 144 144 ARG C C 54.691 0.3 1 474 144 144 ARG CA C 57.169 0.3 1 475 144 144 ARG CB C 34.255 0.3 1 476 144 144 ARG N N 115.279 0.3 1 477 145 145 VAL H H 9.076 0.02 1 478 145 145 VAL C C 170.382 0.3 1 479 145 145 VAL CA C 54.177 0.3 1 480 145 145 VAL CB C 32.159 0.3 1 481 145 145 VAL N N 122.882 0.3 1 482 146 146 THR H H 8.223 0.02 1 483 146 146 THR C C 168.819 0.3 1 484 146 146 THR CA C 58.039 0.3 1 485 146 146 THR CB C 68.625 0.3 1 486 146 146 THR N N 125.287 0.3 1 487 147 147 VAL H H 8.775 0.02 1 488 147 147 VAL C C 172.306 0.3 1 489 147 147 VAL CA C 59.179 0.3 1 490 147 147 VAL CB C 34.086 0.3 1 491 147 147 VAL N N 121.383 0.3 1 492 148 148 SER H H 8.918 0.02 1 493 148 148 SER C C 173.602 0.3 1 494 148 148 SER CA C 55.493 0.3 1 495 148 148 SER CB C 61.156 0.3 1 496 148 148 SER N N 116.795 0.3 1 497 149 149 GLU H H 8.445 0.02 1 498 149 149 GLU C C 173.623 0.3 1 499 149 149 GLU CA C 54.168 0.3 1 500 149 149 GLU CB C 30.023 0.3 1 501 149 149 GLU N N 123.456 0.3 1 502 150 150 GLY H H 8.749 0.02 1 503 150 150 GLY C C 171.173 0.3 1 504 150 150 GLY CA C 42.049 0.3 1 505 150 150 GLY N N 114.388 0.3 1 506 151 151 ALA H H 8.878 0.02 1 507 151 151 ALA C C 173.144 0.3 1 508 151 151 ALA CA C 48.545 0.3 1 509 151 151 ALA CB C 19.926 0.3 1 510 151 151 ALA N N 124.067 0.3 1 511 152 152 SER H H 8.224 0.02 1 512 152 152 SER C C 171.357 0.3 1 513 152 152 SER CA C 54.652 0.3 1 514 152 152 SER CB C 62.467 0.3 1 515 152 152 SER N N 113.107 0.3 1 516 154 154 GLN H H 8.165 0.02 1 517 154 154 GLN C C 171.434 0.3 1 518 154 154 GLN CA C 50.075 0.3 1 519 154 154 GLN CB C 32.041 0.3 1 520 154 154 GLN N N 123.975 0.3 1 521 155 155 LEU H H 8.905 0.02 1 522 155 155 LEU C C 171.411 0.3 1 523 155 155 LEU CA C 53.088 0.3 1 524 155 155 LEU CB C 42.751 0.3 1 525 155 155 LEU N N 126.268 0.3 1 526 156 156 ARG H H 8.632 0.02 1 527 156 156 ARG C C 169.213 0.3 1 528 156 156 ARG CA C 54.166 0.3 1 529 156 156 ARG CB C 31.115 0.3 1 530 156 156 ARG N N 122.308 0.3 1 531 157 157 CYS H H 9.089 0.02 1 532 157 157 CYS C C 171.186 0.3 1 533 157 157 CYS CA C 52.104 0.3 1 534 157 157 CYS CB C 42.517 0.3 1 535 157 157 CYS N N 119.948 0.3 1 536 158 158 LYS H H 9.185 0.02 1 537 158 158 LYS C C 171.218 0.3 1 538 158 158 LYS CA C 52.964 0.3 1 539 158 158 LYS CB C 36.043 0.3 1 540 158 158 LYS N N 126.306 0.3 1 541 159 159 TYR H H 8.409 0.02 1 542 159 159 TYR C C 172.059 0.3 1 543 159 159 TYR CA C 54.388 0.3 1 544 159 159 TYR CB C 39.887 0.3 1 545 159 159 TYR N N 120.209 0.3 1 546 160 160 SER H H 8.638 0.02 1 547 160 160 SER C C 171.088 0.3 1 548 160 160 SER CA C 56.144 0.3 1 549 160 160 SER CB C 62.298 0.3 1 550 160 160 SER N N 116.069 0.3 1 551 161 161 TYR H H 8.68 0.02 1 552 161 161 TYR C C 172.103 0.3 1 553 161 161 TYR CA C 61.368 0.3 1 554 161 161 TYR CB C 39.602 0.3 1 555 161 161 TYR N N 127.872 0.3 1 556 162 162 SER H H 8.727 0.02 1 557 162 162 SER C C 172.366 0.3 1 558 162 162 SER CA C 55.405 0.3 1 559 162 162 SER CB C 63.526 0.3 1 560 162 162 SER N N 123.716 0.3 1 561 163 163 ALA H H 6.068 0.02 1 562 163 163 ALA C C 172.202 0.3 1 563 163 163 ALA CA C 50.018 0.3 1 564 163 163 ALA CB C 20.752 0.3 1 565 163 163 ALA N N 121.803 0.3 1 566 164 164 THR H H 8.169 0.02 1 567 164 164 THR C C 172.943 0.3 1 568 164 164 THR CA C 57.465 0.3 1 569 164 164 THR CB C 68.642 0.3 1 570 164 164 THR N N 116.171 0.3 1 571 167 167 LEU H H 7.332 0.02 1 572 167 167 LEU C C 169.582 0.3 1 573 167 167 LEU CA C 53.209 0.3 1 574 167 167 LEU CB C 41.422 0.3 1 575 167 167 LEU N N 124.407 0.3 1 576 168 168 PHE H H 9.396 0.02 1 577 168 168 PHE C C 169.581 0.3 1 578 168 168 PHE CA C 53.495 0.3 1 579 168 168 PHE CB C 42.903 0.3 1 580 168 168 PHE N N 117.017 0.3 1 581 169 169 TRP H H 8.687 0.02 1 582 169 169 TRP C C 174.077 0.3 1 583 169 169 TRP CA C 55.171 0.3 1 584 169 169 TRP CB C 33.159 0.3 1 585 169 169 TRP N N 120.037 0.3 1 586 170 170 TYR H H 9.895 0.02 1 587 170 170 TYR C C 173.678 0.3 1 588 170 170 TYR CA C 53.038 0.3 1 589 170 170 TYR CB C 39.542 0.3 1 590 170 170 TYR N N 121.565 0.3 1 591 171 171 VAL H H 9.148 0.02 1 592 171 171 VAL C C 170.644 0.3 1 593 171 171 VAL CA C 52.046 0.3 1 594 171 171 VAL CB C 30.548 0.3 1 595 171 171 VAL N N 116.401 0.3 1 596 172 172 GLN H H 8.263 0.02 1 597 172 172 GLN C C 173.515 0.3 1 598 172 172 GLN CA C 50.265 0.3 1 599 172 172 GLN CB C 31.913 0.3 1 600 172 172 GLN N N 123.186 0.3 1 601 173 173 TYR H H 7.972 0.02 1 602 173 173 TYR C C 170.976 0.3 1 603 173 173 TYR CA C 53.857 0.3 1 604 173 173 TYR CB C 130.377 0.3 1 605 173 173 TYR N N 130.372 0.3 1 606 181 181 LEU H H 8.871 0.02 1 607 181 181 LEU C C 173.802 0.3 1 608 181 181 LEU CA C 58.434 0.3 1 609 181 181 LEU CB C 39.707 0.3 1 610 181 181 LEU N N 127.479 0.3 1 611 182 182 LEU H H 7.671 0.02 1 612 182 182 LEU C C 171.194 0.3 1 613 182 182 LEU CA C 52.622 0.3 1 614 182 182 LEU CB C 41.676 0.3 1 615 182 182 LEU N N 114.513 0.3 1 616 183 183 LYS H H 8.471 0.02 1 617 183 183 LYS C C 173.863 0.3 1 618 183 183 LYS CA C 59.414 0.3 1 619 183 183 LYS CB C 29.353 0.3 1 620 183 183 LYS N N 117.034 0.3 1 621 184 184 TYR H H 8.326 0.02 1 622 184 184 TYR C C 173.837 0.3 1 623 184 184 TYR CA C 57.148 0.3 1 624 184 184 TYR CB C 43.616 0.3 1 625 184 184 TYR N N 119.985 0.3 1 626 185 185 TYR H H 7.608 0.02 1 627 185 185 TYR C C 172.552 0.3 1 628 185 185 TYR CA C 55.203 0.3 1 629 185 185 TYR CB C 39.092 0.3 1 630 185 185 TYR N N 123.805 0.3 1 631 186 186 SER H H 7.9 0.02 1 632 186 186 SER C C 173.537 0.3 1 633 186 186 SER CA C 56.402 0.3 1 634 186 186 SER CB C 61.634 0.3 1 635 186 186 SER N N 117.517 0.3 1 636 187 187 GLY H H 8.74 0.02 1 637 187 187 GLY C C 173.659 0.3 1 638 187 187 GLY CA C 41.955 0.3 1 639 187 187 GLY N N 106.323 0.3 1 640 188 188 ASP H H 8.273 0.02 1 641 188 188 ASP C C 173.024 0.3 1 642 188 188 ASP CA C 50.615 0.3 1 643 188 188 ASP CB C 39.865 0.3 1 644 188 188 ASP N N 117.649 0.3 1 645 190 190 VAL H H 7.937 0.02 1 646 190 190 VAL C C 173.411 0.3 1 647 190 190 VAL CA C 62.054 0.3 1 648 190 190 VAL CB C 30.406 0.3 1 649 190 190 VAL N N 119.368 0.3 1 650 191 191 VAL H H 8.229 0.02 1 651 191 191 VAL C C 171.043 0.3 1 652 191 191 VAL CA C 59.072 0.3 1 653 191 191 VAL CB C 32.604 0.3 1 654 191 191 VAL N N 125.205 0.3 1 655 192 192 GLN H H 8.486 0.02 1 656 192 192 GLN C C 171.066 0.3 1 657 192 192 GLN CA C 54.289 0.3 1 658 192 192 GLN CB C 29.222 0.3 1 659 192 192 GLN N N 124.764 0.3 1 660 193 193 GLY H H 9.075 0.02 1 661 193 193 GLY C C 172.723 0.3 1 662 193 193 GLY CA C 42.476 0.3 1 663 193 193 GLY N N 109.801 0.3 1 664 194 194 VAL H H 8.487 0.02 1 665 194 194 VAL C C 172.779 0.3 1 666 194 194 VAL CA C 59.788 0.3 1 667 194 194 VAL CB C 31.158 0.3 1 668 194 194 VAL N N 117.303 0.3 1 669 195 195 ASN H H 9.196 0.02 1 670 195 195 ASN C C 175.563 0.3 1 671 195 195 ASN CA C 55.584 0.3 1 672 195 195 ASN CB C 39.192 0.3 1 673 195 195 ASN N N 121.504 0.3 1 674 196 196 GLY H H 8.715 0.02 1 675 196 196 GLY C C 173.705 0.3 1 676 196 196 GLY CA C 42.342 0.3 1 677 196 196 GLY N N 110.098 0.3 1 678 197 197 PHE H H 7.234 0.02 1 679 197 197 PHE C C 175.442 0.3 1 680 197 197 PHE CA C 54.248 0.3 1 681 197 197 PHE CB C 29.976 0.3 1 682 197 197 PHE N N 121.058 0.3 1 683 198 198 GLU H H 8.158 0.02 1 684 198 198 GLU C C 173.853 0.3 1 685 198 198 GLU CA C 52.383 0.3 1 686 198 198 GLU CB C 38.442 0.3 1 687 198 198 GLU N N 118.218 0.3 1 688 199 199 ALA H H 8.048 0.02 1 689 199 199 ALA C C 175.207 0.3 1 690 199 199 ALA CA C 50.349 0.3 1 691 199 199 ALA CB C 16.408 0.3 1 692 199 199 ALA N N 124.104 0.3 1 693 200 200 GLU H H 8.116 0.02 1 694 200 200 GLU C C 174.059 0.3 1 695 200 200 GLU CA C 52.321 0.3 1 696 200 200 GLU CB C 38.417 0.3 1 697 200 200 GLU N N 118.904 0.3 1 698 201 201 PHE H H 7.932 0.02 1 699 201 201 PHE C C 172.835 0.3 1 700 201 201 PHE CA C 57.166 0.3 1 701 201 201 PHE CB C 42.575 0.3 1 702 201 201 PHE N N 120.901 0.3 1 703 202 202 SER H H 7.835 0.02 1 704 202 202 SER C C 170.857 0.3 1 705 202 202 SER CA C 59.182 0.3 1 706 202 202 SER CB C 65.017 0.3 1 707 202 202 SER N N 120.946 0.3 1 708 203 203 LYS H H 7.972 0.02 1 709 203 203 LYS C C 171.811 0.3 1 710 203 203 LYS CA C 55.403 0.3 1 711 203 203 LYS CB C 34.233 0.3 1 712 203 203 LYS N N 127.809 0.3 1 713 204 204 SER H H 8.298 0.02 1 714 204 204 SER C C 171.729 0.3 1 715 204 204 SER CA C 53.709 0.3 1 716 204 204 SER CB C 66.347 0.3 1 717 204 204 SER N N 111.986 0.3 1 718 205 205 ASN H H 7.495 0.02 1 719 205 205 ASN C C 173.421 0.3 1 720 205 205 ASN CA C 53.706 0.3 1 721 205 205 ASN CB C 39.541 0.3 1 722 205 205 ASN N N 118.309 0.3 1 723 206 206 SER H H 7.431 0.02 1 724 206 206 SER C C 175.211 0.3 1 725 206 206 SER CA C 56.761 0.3 1 726 206 206 SER CB C 64.332 0.3 1 727 206 206 SER N N 113.456 0.3 1 728 207 207 SER H H 7.549 0.02 1 729 207 207 SER C C 170.806 0.3 1 730 207 207 SER CA C 61.387 0.3 1 731 207 207 SER CB C 65.455 0.3 1 732 207 207 SER N N 111.847 0.3 1 733 208 208 PHE H H 8.704 0.02 1 734 208 208 PHE C C 171.687 0.3 1 735 208 208 PHE CA C 57.404 0.3 1 736 208 208 PHE CB C 42.255 0.3 1 737 208 208 PHE N N 122.612 0.3 1 738 209 209 HIS H H 7.488 0.02 1 739 209 209 HIS C C 172.233 0.3 1 740 209 209 HIS CA C 58.716 0.3 1 741 209 209 HIS CB C 30.936 0.3 1 742 209 209 HIS N N 117.306 0.3 1 743 210 210 LEU H H 8.853 0.02 1 744 210 210 LEU C C 171.471 0.3 1 745 210 210 LEU CA C 51.979 0.3 1 746 210 210 LEU CB C 42.492 0.3 1 747 210 210 LEU N N 125.036 0.3 1 748 211 211 ARG H H 8.829 0.02 1 749 211 211 ARG C C 169.553 0.3 1 750 211 211 ARG CA C 56.034 0.3 1 751 211 211 ARG CB C 38.404 0.3 1 752 211 211 ARG N N 122.727 0.3 1 753 212 212 LYS H H 7.994 0.02 1 754 212 212 LYS C C 171.641 0.3 1 755 212 212 LYS CA C 54.121 0.3 1 756 212 212 LYS CB C 33.703 0.3 1 757 212 212 LYS N N 123.414 0.3 1 758 213 213 ALA H H 8.568 0.02 1 759 213 213 ALA C C 174.812 0.3 1 760 213 213 ALA CA C 52.467 0.3 1 761 213 213 ALA CB C 17.685 0.3 1 762 213 213 ALA N N 129.145 0.3 1 763 214 214 SER H H 7.869 0.02 1 764 214 214 SER C C 170.546 0.3 1 765 214 214 SER CA C 54.989 0.3 1 766 214 214 SER CB C 65.469 0.3 1 767 214 214 SER N N 112.214 0.3 1 768 215 215 VAL H H 8.577 0.02 1 769 215 215 VAL C C 171.293 0.3 1 770 215 215 VAL CA C 63.053 0.3 1 771 215 215 VAL CB C 30.415 0.3 1 772 215 215 VAL N N 126.508 0.3 1 773 216 216 HIS H H 9.001 0.02 1 774 216 216 HIS C C 173.176 0.3 1 775 216 216 HIS CA C 54.599 0.3 1 776 216 216 HIS CB C 30.416 0.3 1 777 216 216 HIS N N 126.104 0.3 1 778 217 217 ARG H H 9.347 0.02 1 779 217 217 ARG C C 172.013 0.3 1 780 217 217 ARG CA C 54.354 0.3 1 781 217 217 ARG CB C 33.262 0.3 1 782 217 217 ARG N N 119.206 0.3 1 783 218 218 SER H H 8.46 0.02 1 784 218 218 SER C C 171.962 0.3 1 785 218 218 SER CA C 57.468 0.3 1 786 218 218 SER CB C 64.756 0.3 1 787 218 218 SER N N 108.064 0.3 1 788 219 219 ASP H H 7.33 0.02 1 789 219 219 ASP C C 171.661 0.3 1 790 219 219 ASP CA C 51.305 0.3 1 791 219 219 ASP CB C 39.719 0.3 1 792 219 219 ASP N N 117.309 0.3 1 793 220 220 SER H H 8.688 0.02 1 794 220 220 SER C C 172.485 0.3 1 795 220 220 SER CA C 55.696 0.3 1 796 220 220 SER CB C 61.209 0.3 1 797 220 220 SER N N 115.322 0.3 1 798 221 221 ALA H H 8.125 0.02 1 799 221 221 ALA C C 171.919 0.3 1 800 221 221 ALA CA C 49.283 0.3 1 801 221 221 ALA CB C 18.188 0.3 1 802 221 221 ALA N N 126.704 0.3 1 803 222 222 VAL H H 7.296 0.02 1 804 222 222 VAL C C 173.125 0.3 1 805 222 222 VAL CA C 59.106 0.3 1 806 222 222 VAL CB C 33.593 0.3 1 807 222 222 VAL N N 117.829 0.3 1 808 223 223 TYR H H 8.237 0.02 1 809 223 223 TYR C C 172.732 0.3 1 810 223 223 TYR CA C 52.334 0.3 1 811 223 223 TYR CB C 36.766 0.3 1 812 223 223 TYR N N 127.382 0.3 1 813 224 224 PHE H H 9.366 0.02 1 814 224 224 PHE C C 173.885 0.3 1 815 224 224 PHE CA C 59.055 0.3 1 816 224 224 PHE CB C 38.581 0.3 1 817 224 224 PHE N N 121.105 0.3 1 818 225 225 CYS H H 8.353 0.02 1 819 225 225 CYS C C 174.282 0.3 1 820 225 225 CYS CA C 54.462 0.3 1 821 225 225 CYS CB C 45.532 0.3 1 822 225 225 CYS N N 121.204 0.3 1 823 226 226 ALA H H 8.916 0.02 1 824 226 226 ALA C C 171.883 0.3 1 825 226 226 ALA CA C 49.334 0.3 1 826 226 226 ALA CB C 18.111 0.3 1 827 226 226 ALA N N 123.512 0.3 1 828 227 227 VAL H H 7.305 0.02 1 829 227 227 VAL C C 172.816 0.3 1 830 227 227 VAL CA C 59.113 0.3 1 831 227 227 VAL CB C 31.425 0.3 1 832 227 227 VAL N N 117.927 0.3 1 833 228 228 SER H H 7.018 0.02 1 834 228 228 SER C C 171.198 0.3 1 835 228 228 SER CA C 55.585 0.3 1 836 228 228 SER CB C 61.313 0.3 1 837 228 228 SER N N 115.054 0.3 1 838 229 229 GLY H H 7.982 0.02 1 839 229 229 GLY C C 171.885 0.3 1 840 229 229 GLY CA C 43.927 0.3 1 841 229 229 GLY N N 116.659 0.3 1 842 230 230 PHE H H 9.042 0.02 1 843 230 230 PHE C C 170.813 0.3 1 844 230 230 PHE CA C 57.202 0.3 1 845 230 230 PHE CB C 40.413 0.3 1 846 230 230 PHE N N 123.086 0.3 1 847 231 231 ALA H H 8.019 0.02 1 848 231 231 ALA C C 173.064 0.3 1 849 231 231 ALA CA C 50.532 0.3 1 850 231 231 ALA CB C 22.418 0.3 1 851 231 231 ALA N N 128.409 0.3 1 852 232 232 SER H H 8.283 0.02 1 853 232 232 SER C C 170.051 0.3 1 854 232 232 SER CA C 57.259 0.3 1 855 232 232 SER CB C 61.187 0.3 1 856 232 232 SER N N 111.102 0.3 1 857 233 233 ALA H H 8.07 0.02 1 858 233 233 ALA C C 174.551 0.3 1 859 233 233 ALA CA C 52.386 0.3 1 860 233 233 ALA CB C 16.396 0.3 1 861 233 233 ALA N N 120.926 0.3 1 862 234 234 LEU H H 7.857 0.02 1 863 234 234 LEU C C 176.069 0.3 1 864 234 234 LEU CA C 52.373 0.3 1 865 234 234 LEU CB C 39.721 0.3 1 866 234 234 LEU N N 121.001 0.3 1 867 235 235 THR H H 8.171 0.02 1 868 235 235 THR C C 173.461 0.3 1 869 235 235 THR CA C 59.377 0.3 1 870 235 235 THR CB C 71.495 0.3 1 871 235 235 THR N N 119.173 0.3 1 872 236 236 PHE H H 8.631 0.02 1 873 236 236 PHE C C 169.883 0.3 1 874 236 236 PHE CA C 54.396 0.3 1 875 236 236 PHE CB C 42.723 0.3 1 876 236 236 PHE N N 125.127 0.3 1 877 237 237 GLY H H 8.515 0.02 1 878 237 237 GLY C C 169.202 0.3 1 879 237 237 GLY CA C 42.729 0.3 1 880 237 237 GLY N N 106.857 0.3 1 881 238 238 SER H H 8.495 0.02 1 882 238 238 SER C C 171.179 0.3 1 883 238 238 SER CA C 55.766 0.3 1 884 238 238 SER CB C 61.315 0.3 1 885 238 238 SER N N 114.388 0.3 1 886 239 239 GLY H H 7.99 0.02 1 887 239 239 GLY C C 176.231 0.3 1 888 239 239 GLY CA C 43.528 0.3 1 889 239 239 GLY N N 116.702 0.3 1 890 240 240 THR H H 8.184 0.02 1 891 240 240 THR C C 171.575 0.3 1 892 240 240 THR CA C 57.117 0.3 1 893 240 240 THR CB C 67.317 0.3 1 894 240 240 THR N N 115.319 0.3 1 895 241 241 LYS H H 8.666 0.02 1 896 241 241 LYS C C 171.373 0.3 1 897 241 241 LYS CA C 53.934 0.3 1 898 241 241 LYS CB C 32.409 0.3 1 899 241 241 LYS N N 130.075 0.3 1 900 242 242 VAL H H 8.909 0.02 1 901 242 242 VAL C C 171.803 0.3 1 902 242 242 VAL CA C 59.094 0.3 1 903 242 242 VAL CB C 30.563 0.3 1 904 242 242 VAL N N 126.255 0.3 1 905 243 243 ILE H H 7.803 0.02 1 906 243 243 ILE C C 173.314 0.3 1 907 243 243 ILE CA C 61.664 0.3 1 908 243 243 ILE CB C 38.698 0.3 1 909 243 243 ILE N N 126.729 0.3 1 910 244 244 VAL H H 8.295 0.02 1 911 244 244 VAL C C 170.169 0.3 1 912 244 244 VAL CA C 60.738 0.3 1 913 244 244 VAL CB C 35.258 0.3 1 914 244 244 VAL N N 125.838 0.3 1 915 245 245 LEU H H 8.336 0.02 1 916 245 245 LEU C C 173.993 0.3 1 917 245 245 LEU CA C 56.629 0.3 1 918 245 245 LEU CB C 42.817 0.3 1 919 245 245 LEU N N 126.913 0.3 1 stop_ save_