data_15426 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Solution NMR structure of OmpG ; _BMRB_accession_number 15426 _BMRB_flat_file_name bmr15426.str _Entry_type original _Submission_date 2007-08-09 _Accession_date 2007-08-09 _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 Liang Binyong . . 2 Tamm Lukas K. . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 226 "13C chemical shifts" 697 "15N chemical shifts" 226 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2010-05-26 update BMRB 'update entity name' 2008-03-14 original author 'original release' stop_ save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title 'Structure of outer membrane protein G by solution NMR spectroscopy.' _Citation_status pbulished _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 17911261 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Liang Binyong . . 2 Tamm Lukas K. . stop_ _Journal_abbreviation 'Proc. Natl. Acad. Sci. U.S.A.' _Journal_volume 104 _Journal_issue 41 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 16140 _Page_last 16145 _Year 2007 _Details . save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name ompg _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label OmpG $entity 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_entity _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common OmpG _Molecular_mass 32813.707 _Mol_thiol_state 'not present' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 280 _Mol_residue_sequence ; EERNDWHFNIGAMYEIENVE GYGEDMDGLAEPSVYFNAAN GPWRIALAYYQEGPVDYSAG KRGTWFDRPELEVHYQFLEN DDFSFGLTGGFRNYGYHYVD EPGKDTANMQRWKIAPDWDV KLTDDLRFNGWLSMYKFAND LNTTGYADTRVETETGLQYT FNETVALRVNYYLERGFNMD DSRNNGEFSTQEIRAYLPLT LGNHSVTPYTRIGLDRWSNW DWQDDIEREGHDFNRVGLFY GYDFQNGLSVSLEYAFEWQD HDEGDSDKFHYAGVGVNYSF ; loop_ _Residue_seq_code _Residue_label 1 GLU 2 GLU 3 ARG 4 ASN 5 ASP 6 TRP 7 HIS 8 PHE 9 ASN 10 ILE 11 GLY 12 ALA 13 MET 14 TYR 15 GLU 16 ILE 17 GLU 18 ASN 19 VAL 20 GLU 21 GLY 22 TYR 23 GLY 24 GLU 25 ASP 26 MET 27 ASP 28 GLY 29 LEU 30 ALA 31 GLU 32 PRO 33 SER 34 VAL 35 TYR 36 PHE 37 ASN 38 ALA 39 ALA 40 ASN 41 GLY 42 PRO 43 TRP 44 ARG 45 ILE 46 ALA 47 LEU 48 ALA 49 TYR 50 TYR 51 GLN 52 GLU 53 GLY 54 PRO 55 VAL 56 ASP 57 TYR 58 SER 59 ALA 60 GLY 61 LYS 62 ARG 63 GLY 64 THR 65 TRP 66 PHE 67 ASP 68 ARG 69 PRO 70 GLU 71 LEU 72 GLU 73 VAL 74 HIS 75 TYR 76 GLN 77 PHE 78 LEU 79 GLU 80 ASN 81 ASP 82 ASP 83 PHE 84 SER 85 PHE 86 GLY 87 LEU 88 THR 89 GLY 90 GLY 91 PHE 92 ARG 93 ASN 94 TYR 95 GLY 96 TYR 97 HIS 98 TYR 99 VAL 100 ASP 101 GLU 102 PRO 103 GLY 104 LYS 105 ASP 106 THR 107 ALA 108 ASN 109 MET 110 GLN 111 ARG 112 TRP 113 LYS 114 ILE 115 ALA 116 PRO 117 ASP 118 TRP 119 ASP 120 VAL 121 LYS 122 LEU 123 THR 124 ASP 125 ASP 126 LEU 127 ARG 128 PHE 129 ASN 130 GLY 131 TRP 132 LEU 133 SER 134 MET 135 TYR 136 LYS 137 PHE 138 ALA 139 ASN 140 ASP 141 LEU 142 ASN 143 THR 144 THR 145 GLY 146 TYR 147 ALA 148 ASP 149 THR 150 ARG 151 VAL 152 GLU 153 THR 154 GLU 155 THR 156 GLY 157 LEU 158 GLN 159 TYR 160 THR 161 PHE 162 ASN 163 GLU 164 THR 165 VAL 166 ALA 167 LEU 168 ARG 169 VAL 170 ASN 171 TYR 172 TYR 173 LEU 174 GLU 175 ARG 176 GLY 177 PHE 178 ASN 179 MET 180 ASP 181 ASP 182 SER 183 ARG 184 ASN 185 ASN 186 GLY 187 GLU 188 PHE 189 SER 190 THR 191 GLN 192 GLU 193 ILE 194 ARG 195 ALA 196 TYR 197 LEU 198 PRO 199 LEU 200 THR 201 LEU 202 GLY 203 ASN 204 HIS 205 SER 206 VAL 207 THR 208 PRO 209 TYR 210 THR 211 ARG 212 ILE 213 GLY 214 LEU 215 ASP 216 ARG 217 TRP 218 SER 219 ASN 220 TRP 221 ASP 222 TRP 223 GLN 224 ASP 225 ASP 226 ILE 227 GLU 228 ARG 229 GLU 230 GLY 231 HIS 232 ASP 233 PHE 234 ASN 235 ARG 236 VAL 237 GLY 238 LEU 239 PHE 240 TYR 241 GLY 242 TYR 243 ASP 244 PHE 245 GLN 246 ASN 247 GLY 248 LEU 249 SER 250 VAL 251 SER 252 LEU 253 GLU 254 TYR 255 ALA 256 PHE 257 GLU 258 TRP 259 GLN 260 ASP 261 HIS 262 ASP 263 GLU 264 GLY 265 ASP 266 SER 267 ASP 268 LYS 269 PHE 270 HIS 271 TYR 272 ALA 273 GLY 274 VAL 275 GLY 276 VAL 277 ASN 278 TYR 279 SER 280 PHE stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2015-07-08 loop_ _Database_name _Database_accession_code _Database_entry_mol_name _Sequence_query_to_submitted_percentage _Sequence_subject_length _Sequence_identity _Sequence_positive _Sequence_homology_expectation_value PDB 2F1C "Crystal Structure Of The Monomeric Porin Ompg" 100.00 286 100.00 100.00 0.00e+00 PDB 2IWV "Structure Of The Monomeric Outer Membrane Porin Ompg In The Open And Closed Conformation" 100.00 281 100.00 100.00 0.00e+00 PDB 2IWW "Structure Of The Monomeric Outer Membrane Porin Ompg In The Open And Closed Conformation" 100.00 281 100.00 100.00 0.00e+00 PDB 2JQY "Outer Membrane Protein G" 100.00 280 100.00 100.00 0.00e+00 PDB 2WVP "Synthetically Modified Ompg" 100.00 286 99.64 99.64 0.00e+00 PDB 2X9K "Structure Of A E.Coli Porin" 100.00 280 99.29 99.29 0.00e+00 DBJ BAB35321 "outer membrane protein [Escherichia coli O157:H7 str. Sakai]" 100.00 301 98.57 100.00 0.00e+00 DBJ BAE76401 "outer membrane porin [Escherichia coli str. K12 substr. W3110]" 100.00 301 100.00 100.00 0.00e+00 DBJ BAG76895 "conserved hypothetical protein [Escherichia coli SE11]" 100.00 301 100.00 100.00 0.00e+00 DBJ BAI25168 "outer membrane porin OmpG [Escherichia coli O26:H11 str. 11368]" 100.00 301 100.00 100.00 0.00e+00 DBJ BAI35617 "outer membrane porin OmpG [Escherichia coli O111:H- str. 11128]" 100.00 301 100.00 100.00 0.00e+00 EMBL CAP75863 "Outer membrane protein G [Escherichia coli LF82]" 100.00 301 98.93 100.00 0.00e+00 EMBL CAQ31824 "outer membrane porin OmpG [Escherichia coli BL21(DE3)]" 100.00 301 100.00 100.00 0.00e+00 EMBL CAQ98203 "outer membrane porin [Escherichia coli IAI1]" 100.00 301 100.00 100.00 0.00e+00 EMBL CAR02781 "outer membrane porin [Escherichia coli S88]" 100.00 301 98.21 99.64 0.00e+00 EMBL CAR07725 "outer membrane porin [Escherichia coli ED1a]" 100.00 301 98.57 99.64 0.00e+00 GB AAC34720 "porin [Escherichia coli]" 100.00 301 100.00 100.00 0.00e+00 GB AAC74401 "outer membrane porin G [Escherichia coli str. K-12 substr. MG1655]" 100.00 301 100.00 100.00 0.00e+00 GB AAG56483 "outer membrane protein [Escherichia coli O157:H7 str. EDL933]" 100.00 301 98.57 100.00 0.00e+00 GB AAN80257 "Outer membrane protein G precursor [Escherichia coli CFT073]" 100.00 318 98.57 99.64 0.00e+00 GB ABE07068 "outer membrane protein G precursor [Escherichia coli UTI89]" 100.00 318 98.57 100.00 0.00e+00 REF NP_309925 "outer membrane protein [Escherichia coli O157:H7 str. Sakai]" 100.00 301 98.57 100.00 0.00e+00 REF NP_415835 "outer membrane porin G [Escherichia coli str. K-12 substr. MG1655]" 100.00 301 100.00 100.00 0.00e+00 REF WP_000735233 "MULTISPECIES: membrane protein [Escherichia]" 100.00 301 97.86 99.64 0.00e+00 REF WP_000735234 "membrane protein [Escherichia coli]" 100.00 301 98.21 99.64 0.00e+00 REF WP_000735235 "membrane protein [Escherichia coli]" 100.00 301 99.29 99.64 0.00e+00 SP P76045 "RecName: Full=Outer membrane protein G; Flags: Precursor" 100.00 301 100.00 100.00 0.00e+00 stop_ save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species $entity 'E. coli' 562 Bacteria . Escherichia coli 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 $entity 'recombinant technology' . Escherichia coli . pT7 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Saveframe_category sample _Sample_type solution _Details '13C, 15N, 2H-labeled protein with amide protons back-exchanged.' loop_ _Mol_label _Concentration_value _Concentration_value_units _Concentration_min_value _Concentration_max_value _Isotopic_labeling $entity 1 mM . . '[U-13C; U-15N; U-2H]' DPC . mM 15 300 'natural abundance' Bis-Tris 25 mM . . 'natural abundance' stop_ save_ ############################ # Computer software used # ############################ save_CNS _Saveframe_category software _Name CNS _Version . loop_ _Vendor _Address _Electronic_address 'Brunger A. T. et.al.' . . stop_ loop_ _Task refinement stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Varian _Model INOVA _Field_strength 800 _Details . save_ save_spectrometer_2 _Saveframe_category NMR_spectrometer _Manufacturer Varian _Model INOVA _Field_strength 500 _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_2D_1H-15N_HSQC_2 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N HSQC' _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_HNCO_4 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCO' _Sample_label $sample_1 save_ save_3D_HN(CA)CB_5 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HN(CA)CB' _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_HN(CA)CO_7 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HN(CA)CO' _Sample_label $sample_1 save_ save_3D_HN(COCA)CB_8 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HN(COCA)CB' _Sample_label $sample_1 save_ save_3D_TROSYNOESY_9 _Saveframe_category NMR_applied_experiment _Experiment_name '3D TROSYNOESY' _Sample_label $sample_1 save_ save_3D_TROSYNOESYTROSY_10 _Saveframe_category NMR_applied_experiment _Experiment_name '3D TROSYNOESYTROSY' _Sample_label $sample_1 save_ save_2D_heteronuclear_1H-15N_NOE_11 _Saveframe_category NMR_applied_experiment _Experiment_name '2D heteronuclear 1H-15N NOE' _Sample_label $sample_1 save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units 'ionic strength' 50 . mM pH 6.3 . pH pressure 1 . atm temperature 313 . K stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference_1 _Saveframe_category chemical_shift_reference _Details . loop_ _Mol_common_name _Atom_type _Atom_isotope_number _Atom_group _Chem_shift_units _Chem_shift_value _Reference_method _Reference_type _External_reference_sample_geometry _External_reference_location _External_reference_axis _Indirect_shift_ratio _Indirect_shift_ratio_citation_label _Correction_value_citation_label DSS C 13 'methyl carbons' ppm 0 external indirect . . . 0.251449530 $entry_citation $entry_citation DSS H 1 'methyl carbons' ppm 0 external direct . . . 1 $entry_citation $entry_citation DSS N 15 'methyl carbons' ppm 0 external indirect . . . 0.10132918 $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(CA)CB' '3D HN(CO)CA' '3D HN(CA)CO' '3D HN(COCA)CB' '3D TROSYNOESY' '3D TROSYNOESYTROSY' stop_ loop_ _Sample_label $sample_1 stop_ _Sample_conditions_label $sample_conditions_1 _Chem_shift_reference_set_label $chemical_shift_reference_1 _Mol_system_component_name OmpG _Text_data_format . _Text_data . loop_ _Atom_shift_assign_ID _Residue_author_seq_code _Residue_seq_code _Residue_label _Atom_name _Atom_type _Chem_shift_value _Chem_shift_value_error _Chem_shift_ambiguity_code 1 1 1 GLU C C 175.867 0.016 . 2 1 1 GLU CA C 56.777 0 . 3 1 1 GLU CB C 30.396 0 . 4 2 2 GLU H H 8.541 0.005 . 5 2 2 GLU C C 176.192 0.005 . 6 2 2 GLU CA C 56.88 0.032 . 7 2 2 GLU CB C 30.402 0.014 . 8 2 2 GLU N N 122.794 0.013 . 9 3 3 ARG H H 8.346 0.006 . 10 3 3 ARG C C 175.742 0.003 . 11 3 3 ARG CA C 56.089 0.019 . 12 3 3 ARG CB C 31.242 0.016 . 13 3 3 ARG N N 122.082 0.01 . 14 4 4 ASN H H 8.506 0.006 . 15 4 4 ASN C C 174.334 0.008 . 16 4 4 ASN CA C 53.326 0.018 . 17 4 4 ASN CB C 39.483 0.002 . 18 4 4 ASN N N 120.781 0.037 . 19 5 5 ASP H H 8.237 0.007 . 20 5 5 ASP C C 175.812 0.058 . 21 5 5 ASP CA C 54.344 0.017 . 22 5 5 ASP CB C 42.009 0.022 . 23 5 5 ASP N N 120.715 0.024 . 24 6 6 TRP H H 8.326 0.007 . 25 6 6 TRP C C 176.024 0.039 . 26 6 6 TRP CA C 57.682 0.018 . 27 6 6 TRP CB C 31.141 0.02 . 28 6 6 TRP N N 120.109 0.013 . 29 7 7 HIS H H 8.51 0.006 . 30 7 7 HIS C C 173.631 0.007 . 31 7 7 HIS CA C 54.804 0.016 . 32 7 7 HIS CB C 31.494 0.041 . 33 7 7 HIS N N 117.969 0.023 . 34 8 8 PHE H H 9.186 0.007 . 35 8 8 PHE C C 175.368 0.028 . 36 8 8 PHE CA C 56.971 0.004 . 37 8 8 PHE CB C 43.008 0.037 . 38 8 8 PHE N N 123.755 0.017 . 39 9 9 ASN H H 8.504 0.003 . 40 9 9 ASN C C 173.467 0.019 . 41 9 9 ASN CA C 54.102 0.025 . 42 9 9 ASN CB C 43.565 0.113 . 43 9 9 ASN N N 116.77 0.024 . 44 10 10 ILE H H 9.274 0.009 . 45 10 10 ILE C C 172.42 0.009 . 46 10 10 ILE CA C 59.241 0.024 . 47 10 10 ILE CB C 43.193 0.069 . 48 10 10 ILE N N 119.668 0.028 . 49 11 11 GLY H H 7.779 0.009 . 50 11 11 GLY C C 170.058 0.011 . 51 11 11 GLY CA C 46.572 0.054 . 52 11 11 GLY N N 111.654 0.036 . 53 12 12 ALA H H 8.425 0.005 . 54 12 12 ALA C C 175.496 0.005 . 55 12 12 ALA CA C 50.844 0.016 . 56 12 12 ALA CB C 23.637 0.131 . 57 12 12 ALA N N 116.947 0.025 . 58 13 13 MET H H 9.289 0.01 . 59 13 13 MET C C 173.285 0.044 . 60 13 13 MET CA C 54.896 0.025 . 61 13 13 MET CB C 37.557 0.079 . 62 13 13 MET N N 119.855 0.042 . 63 14 14 TYR H H 9.191 0.007 . 64 14 14 TYR C C 173.934 0.02 . 65 14 14 TYR CA C 58.809 0.031 . 66 14 14 TYR CB C 42.287 0.068 . 67 14 14 TYR N N 123.08 0.034 . 68 15 15 GLU H H 7.366 0.007 . 69 15 15 GLU C C 173.74 0 . 70 15 15 GLU CA C 54.256 0 . 71 15 15 GLU CB C 33.33 0 . 72 15 15 GLU N N 125.732 0.031 . 73 17 17 GLU C C 177.418 0 . 74 17 17 GLU CA C 54.479 0.098 . 75 18 18 ASN H H 7.859 0.007 . 76 18 18 ASN C C 175.092 0.017 . 77 18 18 ASN CA C 53.488 0.024 . 78 18 18 ASN CB C 39.242 0.018 . 79 18 18 ASN N N 115.849 0.105 . 80 19 19 VAL H H 8.024 0.007 . 81 19 19 VAL C C 176.073 0.016 . 82 19 19 VAL CA C 62.697 0.02 . 83 19 19 VAL CB C 32.762 0.056 . 84 19 19 VAL N N 120.083 0.06 . 85 20 20 GLU H H 8.368 0.007 . 86 20 20 GLU C C 176.836 0.022 . 87 20 20 GLU CA C 57.137 0.029 . 88 20 20 GLU CB C 30.304 0.03 . 89 20 20 GLU N N 123.564 0.061 . 90 21 21 GLY H H 8.213 0.005 . 91 21 21 GLY C C 173.95 0.026 . 92 21 21 GLY CA C 45.641 0.034 . 93 21 21 GLY N N 109.417 0.034 . 94 22 22 TYR H H 7.994 0.01 . 95 22 22 TYR C C 176.261 0.029 . 96 22 22 TYR CA C 58.34 0.007 . 97 22 22 TYR CB C 38.996 0.116 . 98 22 22 TYR N N 119.968 0.041 . 99 23 23 GLY H H 8.253 0.005 . 100 23 23 GLY C C 174.033 0.058 . 101 23 23 GLY CA C 45.748 0.045 . 102 23 23 GLY N N 110.563 0.068 . 103 24 24 GLU H H 8.129 0.006 . 104 24 24 GLU C C 176.173 0.027 . 105 24 24 GLU CA C 56.844 0.021 . 106 24 24 GLU CB C 30.37 0.091 . 107 24 24 GLU N N 120.341 0.063 . 108 25 25 ASP H H 8.356 0.009 . 109 25 25 ASP C C 176.297 0 . 110 25 25 ASP CA C 54.721 0 . 111 25 25 ASP CB C 41.073 0 . 112 25 25 ASP N N 120.451 0.119 . 113 27 27 ASP C C 177.68 0 . 114 27 27 ASP CA C 56.192 0 . 115 27 27 ASP CB C 38.64 0 . 116 28 28 GLY H H 8.104 0.004 . 117 28 28 GLY C C 173.039 0.061 . 118 28 28 GLY CA C 45.816 0.101 . 119 28 28 GLY N N 107.333 0.059 . 120 29 29 LEU H H 8.778 0.007 . 121 29 29 LEU C C 174.988 0 . 122 29 29 LEU CA C 54.164 0.056 . 123 29 29 LEU CB C 45.097 0 . 124 29 29 LEU N N 122.433 0.021 . 125 30 30 ALA H H 8.828 0.007 . 126 30 30 ALA C C 178.089 0.085 . 127 30 30 ALA CA C 51.519 0.031 . 128 30 30 ALA CB C 23.589 0 . 129 30 30 ALA N N 124.442 0.084 . 130 31 31 GLU H H 8.719 0.007 . 131 31 31 GLU C C 173.919 0 . 132 31 31 GLU CA C 52.534 0 . 133 31 31 GLU CB C 28.977 0 . 134 31 31 GLU N N 120.938 0.063 . 135 32 32 PRO C C 175.297 0.002 . 136 32 32 PRO CA C 62.141 0.03 . 137 32 32 PRO CB C 33.312 0.103 . 138 33 33 SER H H 9.235 0.007 . 139 33 33 SER C C 172.949 0.042 . 140 33 33 SER CA C 58.392 0.016 . 141 33 33 SER CB C 66.987 0.087 . 142 33 33 SER N N 111.532 0.021 . 143 34 34 VAL H H 8.685 0.01 . 144 34 34 VAL C C 173.901 0.008 . 145 34 34 VAL CA C 59.823 0.011 . 146 34 34 VAL CB C 36.342 0.039 . 147 34 34 VAL N N 113.569 0.032 . 148 35 35 TYR H H 8.42 0.006 . 149 35 35 TYR C C 172.2 0.001 . 150 35 35 TYR CA C 57.315 0.023 . 151 35 35 TYR CB C 41.675 0.068 . 152 35 35 TYR N N 118.895 0.02 . 153 36 36 PHE H H 9.126 0.009 . 154 36 36 PHE C C 174.187 0.024 . 155 36 36 PHE CA C 56.145 0.023 . 156 36 36 PHE CB C 44.44 0.033 . 157 36 36 PHE N N 118.703 0.02 . 158 37 37 ASN H H 9.239 0.004 . 159 37 37 ASN C C 171.881 0.003 . 160 37 37 ASN CA C 52.68 0.03 . 161 37 37 ASN CB C 42.56 0.028 . 162 37 37 ASN N N 122.021 0.016 . 163 38 38 ALA H H 8.976 0.007 . 164 38 38 ALA C C 174.906 0.005 . 165 38 38 ALA CA C 50.928 0.027 . 166 38 38 ALA CB C 24.757 0.046 . 167 38 38 ALA N N 120.573 0.024 . 168 39 39 ALA H H 8.806 0.005 . 169 39 39 ALA C C 175.791 0.007 . 170 39 39 ALA CA C 51.042 0.025 . 171 39 39 ALA CB C 23.458 0.031 . 172 39 39 ALA N N 123.538 0.035 . 173 40 40 ASN H H 8.026 0.012 . 174 40 40 ASN C C 174.957 0.009 . 175 40 40 ASN CA C 53.247 0.019 . 176 40 40 ASN CB C 39.586 0.024 . 177 40 40 ASN N N 118.5 0.015 . 178 41 41 GLY H H 8.8 0.005 . 179 41 41 GLY C C 173.65 0 . 180 41 41 GLY CA C 45.308 0.082 . 181 41 41 GLY N N 117.354 0.016 . 182 42 42 PRO C C 175.869 0.018 . 183 42 42 PRO CA C 63.473 0.029 . 184 42 42 PRO CB C 32.014 0.097 . 185 43 43 TRP H H 7.887 0.007 . 186 43 43 TRP C C 176.757 0.003 . 187 43 43 TRP CA C 57.337 0.033 . 188 43 43 TRP CB C 33.226 0.029 . 189 43 43 TRP N N 122.72 0.016 . 190 44 44 ARG H H 9.098 0.005 . 191 44 44 ARG C C 174.565 0.025 . 192 44 44 ARG CA C 56.322 0.02 . 193 44 44 ARG CB C 34.597 0.062 . 194 44 44 ARG N N 121.759 0.019 . 195 45 45 ILE H H 9.573 0.004 . 196 45 45 ILE C C 173.14 0.004 . 197 45 45 ILE CA C 60.431 0.011 . 198 45 45 ILE CB C 41.785 0.017 . 199 45 45 ILE N N 126.566 0.017 . 200 46 46 ALA H H 9.464 0.004 . 201 46 46 ALA C C 175.051 0.017 . 202 46 46 ALA CA C 51.46 0.016 . 203 46 46 ALA CB C 23.601 0.088 . 204 46 46 ALA N N 129.105 0.027 . 205 47 47 LEU H H 9.435 0.004 . 206 47 47 LEU C C 175.921 0.009 . 207 47 47 LEU CA C 53.913 0.011 . 208 47 47 LEU CB C 46.73 0.058 . 209 47 47 LEU N N 123.09 0.021 . 210 48 48 ALA H H 9.022 0.005 . 211 48 48 ALA C C 175.066 0.018 . 212 48 48 ALA CA C 52.059 0.018 . 213 48 48 ALA CB C 24.003 0.025 . 214 48 48 ALA N N 122.868 0.013 . 215 49 49 TYR H H 9.013 0.006 . 216 49 49 TYR C C 171.602 0 . 217 49 49 TYR CA C 59.11 0.007 . 218 49 49 TYR CB C 42.34 0.003 . 219 49 49 TYR N N 118.42 0.018 . 220 50 50 TYR H H 6.092 0.006 . 221 50 50 TYR C C 172.912 0.025 . 222 50 50 TYR CA C 55.435 0.025 . 223 50 50 TYR CB C 42.953 0.107 . 224 50 50 TYR N N 129.455 0.054 . 225 51 51 GLN H H 7.441 0.01 . 226 51 51 GLN C C 171.346 0 . 227 51 51 GLN CA C 54.232 0 . 228 51 51 GLN CB C 33.55 0 . 229 51 51 GLN N N 123.722 0.015 . 230 52 52 GLU C C 174.872 0.05 . 231 52 52 GLU CA C 55.092 0.019 . 232 53 53 GLY H H 7.748 0.008 . 233 53 53 GLY C C 169.362 0 . 234 53 53 GLY CA C 45.186 0.012 . 235 53 53 GLY N N 110.741 0.054 . 236 54 54 PRO C C 177.482 0 . 237 54 54 PRO CA C 63.105 0.049 . 238 54 54 PRO CB C 32.741 0 . 239 55 55 VAL H H 8.127 0.005 . 240 55 55 VAL C C 175.016 0 . 241 55 55 VAL CA C 63.576 0.018 . 242 55 55 VAL CB C 32.807 0.166 . 243 55 55 VAL N N 120.552 0.022 . 244 56 56 ASP H H 8.234 0.008 . 245 56 56 ASP C C 175.864 0.021 . 246 56 56 ASP CA C 53.436 0.008 . 247 56 56 ASP CB C 41.61 0.021 . 248 56 56 ASP N N 120.266 0.053 . 249 57 57 TYR H H 8.224 0.008 . 250 57 57 TYR C C 176.373 0.033 . 251 57 57 TYR CA C 59.363 0.037 . 252 57 57 TYR CB C 38.574 0.049 . 253 57 57 TYR N N 122.279 0.035 . 254 58 58 SER H H 8.118 0.006 . 255 58 58 SER C C 174.257 0.002 . 256 58 58 SER CA C 59.243 0.02 . 257 58 58 SER CB C 64.159 0.045 . 258 58 58 SER N N 116.783 0.058 . 259 59 59 ALA H H 8.077 0.007 . 260 59 59 ALA C C 178.221 0.004 . 261 59 59 ALA CA C 53.364 0.011 . 262 59 59 ALA CB C 19.056 0.067 . 263 59 59 ALA N N 123.881 0.026 . 264 60 60 GLY H H 8.217 0.006 . 265 60 60 GLY C C 174.29 0.006 . 266 60 60 GLY CA C 45.884 0.036 . 267 60 60 GLY N N 107.671 0.015 . 268 61 61 LYS H H 7.86 0.004 . 269 61 61 LYS C C 175.985 0.01 . 270 61 61 LYS CA C 56.297 0.009 . 271 61 61 LYS CB C 33.282 0.061 . 272 61 61 LYS N N 120.852 0.023 . 273 62 62 ARG H H 8.251 0.004 . 274 62 62 ARG C C 176.34 0.004 . 275 62 62 ARG CA C 56.32 0.019 . 276 62 62 ARG CB C 31.382 0.009 . 277 62 62 ARG N N 121.495 0.032 . 278 63 63 GLY H H 8.251 0.012 . 279 63 63 GLY C C 172.529 0.022 . 280 63 63 GLY CA C 45.767 0.143 . 281 63 63 GLY N N 109.233 0.056 . 282 64 64 THR H H 8.092 0.007 . 283 64 64 THR C C 172.915 0 . 284 64 64 THR CA C 63.472 0 . 285 64 64 THR CB C 71.239 0 . 286 64 64 THR N N 117.895 0.044 . 287 66 66 PHE C C 173.411 0 . 288 66 66 PHE CA C 55.991 0.023 . 289 66 66 PHE CB C 40.087 0 . 290 67 67 ASP H H 8.847 0.01 . 291 67 67 ASP C C 176.604 0.037 . 292 67 67 ASP CA C 52.09 0.01 . 293 67 67 ASP CB C 43.518 0.133 . 294 67 67 ASP N N 118.664 0.074 . 295 68 68 ARG H H 8.204 0.005 . 296 68 68 ARG C C 173.647 0 . 297 68 68 ARG CA C 53.6 0 . 298 68 68 ARG CB C 35.377 0 . 299 68 68 ARG N N 118.812 0.058 . 300 69 69 PRO C C 175.499 0.004 . 301 69 69 PRO CA C 63.251 0.016 . 302 69 69 PRO CB C 33.573 0.054 . 303 70 70 GLU H H 8.876 0.004 . 304 70 70 GLU C C 172.759 0.008 . 305 70 70 GLU CA C 55.307 0.029 . 306 70 70 GLU CB C 35.711 0.009 . 307 70 70 GLU N N 119.613 0.027 . 308 71 71 LEU H H 8.805 0.006 . 309 71 71 LEU C C 175.324 0.03 . 310 71 71 LEU CA C 54.145 0.018 . 311 71 71 LEU CB C 47.227 0.027 . 312 71 71 LEU N N 124.852 0.027 . 313 72 72 GLU H H 9.576 0.004 . 314 72 72 GLU C C 174.947 0.034 . 315 72 72 GLU CA C 55.615 0.037 . 316 72 72 GLU CB C 34.933 0.035 . 317 72 72 GLU N N 122.098 0.041 . 318 73 73 VAL H H 9.3 0.006 . 319 73 73 VAL C C 173.17 0.008 . 320 73 73 VAL CA C 60.733 0.02 . 321 73 73 VAL CB C 35.567 0.015 . 322 73 73 VAL N N 120.131 0.028 . 323 74 74 HIS H H 9.709 0.004 . 324 74 74 HIS C C 172.148 0.014 . 325 74 74 HIS CA C 54.473 0.019 . 326 74 74 HIS CB C 32.256 0.014 . 327 74 74 HIS N N 125.187 0.03 . 328 75 75 TYR H H 8.274 0.005 . 329 75 75 TYR C C 173.045 0.001 . 330 75 75 TYR CA C 56.189 0.02 . 331 75 75 TYR CB C 42.877 0.042 . 332 75 75 TYR N N 125.637 0.018 . 333 76 76 GLN H H 7.854 0.006 . 334 76 76 GLN C C 173.112 0.019 . 335 76 76 GLN CA C 54.006 0.022 . 336 76 76 GLN CB C 28.502 0.033 . 337 76 76 GLN N N 129.611 0.016 . 338 77 77 PHE H H 8.039 0.007 . 339 77 77 PHE C C 175.799 0.006 . 340 77 77 PHE CA C 61.619 0.036 . 341 77 77 PHE CB C 41.078 0.055 . 342 77 77 PHE N N 126.035 0.024 . 343 78 78 LEU H H 7.931 0.006 . 344 78 78 LEU C C 176.023 0.019 . 345 78 78 LEU CA C 54.358 0.02 . 346 78 78 LEU CB C 46.622 0.054 . 347 78 78 LEU N N 115.487 0.024 . 348 79 79 GLU H H 9.053 0.004 . 349 79 79 GLU C C 173.272 0.01 . 350 79 79 GLU CA C 56.304 0.028 . 351 79 79 GLU CB C 31.201 0.018 . 352 79 79 GLU N N 127.563 0.022 . 353 80 80 ASN H H 8.131 0.005 . 354 80 80 ASN C C 174.334 0.005 . 355 80 80 ASN CA C 52.752 0.019 . 356 80 80 ASN CB C 40.184 0.122 . 357 80 80 ASN N N 123.571 0.023 . 358 81 81 ASP H H 8.492 0.006 . 359 81 81 ASP C C 176.751 0.003 . 360 81 81 ASP CA C 57.578 0.022 . 361 81 81 ASP CB C 41.492 0.036 . 362 81 81 ASP N N 118.962 0.033 . 363 82 82 ASP H H 8.322 0.006 . 364 82 82 ASP C C 176.283 0.024 . 365 82 82 ASP CA C 56.272 0.043 . 366 82 82 ASP CB C 42.174 0.098 . 367 82 82 ASP N N 115.216 0.017 . 368 83 83 PHE H H 7.793 0.005 . 369 83 83 PHE C C 173.076 0.017 . 370 83 83 PHE CA C 57.083 0.019 . 371 83 83 PHE CB C 42.095 0.031 . 372 83 83 PHE N N 119.315 0.04 . 373 84 84 SER H H 8.794 0.005 . 374 84 84 SER C C 172.468 0.007 . 375 84 84 SER CA C 57.177 0.055 . 376 84 84 SER CB C 66.238 0.072 . 377 84 84 SER N N 119.033 0.027 . 378 85 85 PHE H H 8.325 0.005 . 379 85 85 PHE C C 173.836 0.017 . 380 85 85 PHE CA C 57.68 0.014 . 381 85 85 PHE CB C 44.215 0.067 . 382 85 85 PHE N N 121.385 0.026 . 383 86 86 GLY H H 8.834 0.011 . 384 86 86 GLY C C 170.145 0.01 . 385 86 86 GLY CA C 45.411 0.038 . 386 86 86 GLY N N 116.632 0.054 . 387 87 87 LEU H H 7.9 0.007 . 388 87 87 LEU C C 173.938 0.006 . 389 87 87 LEU CA C 54.642 0.006 . 390 87 87 LEU CB C 48.742 0.035 . 391 87 87 LEU N N 117.435 0.018 . 392 88 88 THR H H 8.444 0.006 . 393 88 88 THR C C 174.379 0.012 . 394 88 88 THR CA C 61.987 0.028 . 395 88 88 THR CB C 71.243 0.039 . 396 88 88 THR N N 122.015 0.043 . 397 89 89 GLY H H 9.481 0.009 . 398 89 89 GLY C C 172.366 0.016 . 399 89 89 GLY CA C 44.385 0.046 . 400 89 89 GLY N N 113.864 0.012 . 401 90 90 GLY H H 9.324 0.006 . 402 90 90 GLY C C 170.122 0.017 . 403 90 90 GLY CA C 46.453 0.041 . 404 90 90 GLY N N 109.379 0.034 . 405 91 91 PHE H H 9.043 0.01 . 406 91 91 PHE C C 172.571 0.02 . 407 91 91 PHE CA C 57.033 0.015 . 408 91 91 PHE CB C 44.12 0.069 . 409 91 91 PHE N N 120.546 0.04 . 410 92 92 ARG H H 7.647 0.005 . 411 92 92 ARG C C 174.039 0.022 . 412 92 92 ARG CA C 54.017 0.048 . 413 92 92 ARG CB C 37.154 0.001 . 414 92 92 ARG N N 124.673 0.043 . 415 93 93 ASN H H 7.626 0.007 . 416 93 93 ASN C C 171.84 0.01 . 417 93 93 ASN CA C 52.942 0.008 . 418 93 93 ASN CB C 44.185 0.026 . 419 93 93 ASN N N 118.823 0.057 . 420 94 94 TYR H H 9.435 0.006 . 421 94 94 TYR C C 174.538 0.01 . 422 94 94 TYR CA C 56.635 0.014 . 423 94 94 TYR CB C 38.964 0.022 . 424 94 94 TYR N N 123.561 0.023 . 425 95 95 GLY H H 9.016 0.007 . 426 95 95 GLY C C 173.648 0.041 . 427 95 95 GLY CA C 45.886 0.066 . 428 95 95 GLY N N 112.511 0.045 . 429 96 96 TYR H H 8.512 0.008 . 430 96 96 TYR C C 176.443 0.032 . 431 96 96 TYR CA C 58.808 0.029 . 432 96 96 TYR CB C 41.688 0.06 . 433 96 96 TYR N N 123.181 0.044 . 434 97 97 HIS H H 8.529 0.005 . 435 97 97 HIS C C 172.717 0.01 . 436 97 97 HIS CA C 54.413 0.019 . 437 97 97 HIS CB C 28.673 0.06 . 438 97 97 HIS N N 120.498 0.026 . 439 98 98 TYR H H 8.405 0.005 . 440 98 98 TYR C C 176.977 0.011 . 441 98 98 TYR CA C 58.056 0.013 . 442 98 98 TYR CB C 39.402 0.006 . 443 98 98 TYR N N 121.658 0.014 . 444 99 99 VAL H H 8.582 0.007 . 445 99 99 VAL C C 175.076 0.014 . 446 99 99 VAL CA C 62.808 0.006 . 447 99 99 VAL CB C 33.866 0.01 . 448 99 99 VAL N N 123.782 0.04 . 449 100 100 ASP H H 8.715 0.006 . 450 100 100 ASP C C 174.714 0.016 . 451 100 100 ASP CA C 55.29 0.015 . 452 100 100 ASP CB C 40.22 0.01 . 453 100 100 ASP N N 122.082 0.037 . 454 101 101 GLU H H 8.283 0.005 . 455 101 101 GLU C C 173.529 0 . 456 101 101 GLU CA C 53.639 0 . 457 101 101 GLU CB C 31.101 0 . 458 101 101 GLU N N 119.139 0.011 . 459 102 102 PRO C C 178.018 0.005 . 460 102 102 PRO CA C 64.226 0.026 . 461 102 102 PRO CB C 31.95 0.025 . 462 103 103 GLY H H 8.638 0.004 . 463 103 103 GLY C C 173.838 0.003 . 464 103 103 GLY CA C 45.757 0.026 . 465 103 103 GLY N N 111.082 0.022 . 466 104 104 LYS H H 7.8 0.005 . 467 104 104 LYS C C 175.122 0.002 . 468 104 104 LYS CA C 55.827 0.007 . 469 104 104 LYS CB C 34.792 0.013 . 470 104 104 LYS N N 120.158 0.058 . 471 105 105 ASP H H 8.827 0.006 . 472 105 105 ASP C C 175.035 0.002 . 473 105 105 ASP CA C 55.772 0.049 . 474 105 105 ASP CB C 42.16 0.048 . 475 105 105 ASP N N 120.865 0.02 . 476 106 106 THR H H 8.241 0.005 . 477 106 106 THR C C 173.929 0.041 . 478 106 106 THR CA C 60.476 0.04 . 479 106 106 THR CB C 72.86 0.018 . 480 106 106 THR N N 112.401 0.033 . 481 107 107 ALA H H 7.887 0.006 . 482 107 107 ALA C C 175.778 0.022 . 483 107 107 ALA CA C 52.052 0.012 . 484 107 107 ALA CB C 22.846 0.012 . 485 107 107 ALA N N 121.758 0.038 . 486 108 108 ASN H H 9.907 0.006 . 487 108 108 ASN C C 172.066 0.005 . 488 108 108 ASN CA C 53.895 0.015 . 489 108 108 ASN CB C 42.608 0.031 . 490 108 108 ASN N N 121.578 0.029 . 491 109 109 MET H H 8.595 0.008 . 492 109 109 MET C C 174.98 0.011 . 493 109 109 MET CA C 53.752 0.026 . 494 109 109 MET CB C 36.896 0.096 . 495 109 109 MET N N 125.778 0.035 . 496 110 110 GLN H H 9.476 0.006 . 497 110 110 GLN C C 174.846 0.044 . 498 110 110 GLN CA C 56.102 0.019 . 499 110 110 GLN CB C 31.144 0.041 . 500 110 110 GLN N N 124.667 0.032 . 501 111 111 ARG H H 8.434 0.004 . 502 111 111 ARG C C 174.823 0.027 . 503 111 111 ARG CA C 54.676 0.013 . 504 111 111 ARG CB C 36.645 0.078 . 505 111 111 ARG N N 118.846 0.028 . 506 112 112 TRP H H 9.529 0.007 . 507 112 112 TRP C C 174.979 0.021 . 508 112 112 TRP CA C 55.859 0.016 . 509 112 112 TRP CB C 32.03 0.028 . 510 112 112 TRP N N 132.721 0.058 . 511 113 113 LYS H H 8.945 0.005 . 512 113 113 LYS C C 174.878 0.029 . 513 113 113 LYS CA C 55.224 0.054 . 514 113 113 LYS CB C 39.712 0.042 . 515 113 113 LYS N N 124.181 0.031 . 516 114 114 ILE H H 8.574 0.007 . 517 114 114 ILE C C 175.027 0.018 . 518 114 114 ILE CA C 60.232 0.018 . 519 114 114 ILE CB C 41.797 0.025 . 520 114 114 ILE N N 123.977 0.037 . 521 115 115 ALA H H 9.076 0.007 . 522 115 115 ALA C C 176.346 0 . 523 115 115 ALA CA C 50.31 0 . 524 115 115 ALA CB C 24.145 0 . 525 115 115 ALA N N 126.105 0.028 . 526 116 116 PRO C C 173.705 0 . 527 116 116 PRO CA C 62.726 0.018 . 528 116 116 PRO CB C 34.363 0.027 . 529 117 117 ASP H H 8.793 0.015 . 530 117 117 ASP C C 173.658 0.026 . 531 117 117 ASP CA C 53.944 0.008 . 532 117 117 ASP CB C 44.769 0.163 . 533 117 117 ASP N N 117.295 0.023 . 534 118 118 TRP H H 8.192 0.005 . 535 118 118 TRP C C 175.051 0.028 . 536 118 118 TRP CA C 57.242 0.007 . 537 118 118 TRP CB C 33.259 0.05 . 538 118 118 TRP N N 115.253 0.029 . 539 119 119 ASP H H 8.3 0.005 . 540 119 119 ASP C C 175.022 0.012 . 541 119 119 ASP CA C 55.391 0.018 . 542 119 119 ASP CB C 44.008 0.047 . 543 119 119 ASP N N 119.606 0.028 . 544 120 120 VAL H H 9.698 0.003 . 545 120 120 VAL C C 174.652 0.007 . 546 120 120 VAL CA C 61.054 0.026 . 547 120 120 VAL CB C 36.128 0.046 . 548 120 120 VAL N N 126.687 0.024 . 549 121 121 LYS H H 8.534 0.005 . 550 121 121 LYS C C 175.383 0.016 . 551 121 121 LYS CA C 58.429 0.037 . 552 121 121 LYS CB C 34.148 0.016 . 553 121 121 LYS N N 128.89 0.038 . 554 122 122 LEU H H 8.659 0.006 . 555 122 122 LEU C C 176.743 0.016 . 556 122 122 LEU CA C 56.787 0.053 . 557 122 122 LEU CB C 42.718 0.042 . 558 122 122 LEU N N 126.09 0.025 . 559 123 123 THR H H 8.52 0.005 . 560 123 123 THR C C 173.999 0.02 . 561 123 123 THR CA C 59.396 0.011 . 562 123 123 THR CB C 72.25 0.053 . 563 123 123 THR N N 109.035 0.03 . 564 124 124 ASP H H 8.551 0.007 . 565 124 124 ASP C C 176.164 0.028 . 566 124 124 ASP CA C 58.044 0.026 . 567 124 124 ASP CB C 40.769 0.084 . 568 124 124 ASP N N 117.051 0.025 . 569 125 125 ASP H H 7.867 0.006 . 570 125 125 ASP C C 173.551 0.006 . 571 125 125 ASP CA C 54.027 0.017 . 572 125 125 ASP CB C 43.578 0.06 . 573 125 125 ASP N N 113.682 0.047 . 574 126 126 LEU H H 7.48 0.005 . 575 126 126 LEU C C 174.825 0.016 . 576 126 126 LEU CA C 54.361 0.025 . 577 126 126 LEU CB C 46.29 0.019 . 578 126 126 LEU N N 122.018 0.027 . 579 127 127 ARG H H 9.081 0.005 . 580 127 127 ARG C C 173.929 0.003 . 581 127 127 ARG CA C 55.077 0.026 . 582 127 127 ARG CB C 34.745 0.025 . 583 127 127 ARG N N 124.29 0.032 . 584 128 128 PHE H H 9.313 0.007 . 585 128 128 PHE C C 173.273 0.013 . 586 128 128 PHE CA C 54.831 0.007 . 587 128 128 PHE CB C 42.365 0.008 . 588 128 128 PHE N N 122.377 0.018 . 589 129 129 ASN H H 8.934 0.007 . 590 129 129 ASN C C 173.831 0.018 . 591 129 129 ASN CA C 51.087 0.026 . 592 129 129 ASN CB C 42.212 0.026 . 593 129 129 ASN N N 124.166 0.016 . 594 130 130 GLY H H 7.136 0.007 . 595 130 130 GLY C C 168.783 0.009 . 596 130 130 GLY CA C 45.766 0.043 . 597 130 130 GLY N N 105.469 0.041 . 598 131 131 TRP H H 6.882 0.016 . 599 131 131 TRP C C 174.506 0.017 . 600 131 131 TRP CA C 54.938 0.03 . 601 131 131 TRP CB C 31.786 0.009 . 602 131 131 TRP N N 113.579 0.042 . 603 132 132 LEU H H 8.605 0.007 . 604 132 132 LEU C C 173.27 0.008 . 605 132 132 LEU CA C 55.101 0.03 . 606 132 132 LEU CB C 45.769 0.049 . 607 132 132 LEU N N 124.831 0.014 . 608 133 133 SER H H 10.17 0.005 . 609 133 133 SER C C 172.694 0.009 . 610 133 133 SER CA C 56.92 0.025 . 611 133 133 SER CB C 67.108 0.066 . 612 133 133 SER N N 119.082 0.016 . 613 134 134 MET H H 8.68 0.006 . 614 134 134 MET C C 173.666 0.014 . 615 134 134 MET CA C 54.566 0.019 . 616 134 134 MET CB C 35.273 0.023 . 617 134 134 MET N N 124.047 0.024 . 618 135 135 TYR H H 9.21 0.006 . 619 135 135 TYR C C 175.516 0.012 . 620 135 135 TYR CA C 54.492 0.014 . 621 135 135 TYR CB C 42.166 0.068 . 622 135 135 TYR N N 119.525 0.032 . 623 136 136 LYS H H 8.611 0.004 . 624 136 136 LYS C C 175.429 0.011 . 625 136 136 LYS CA C 53.18 0.011 . 626 136 136 LYS CB C 35.613 0.032 . 627 136 136 LYS N N 119.731 0.03 . 628 137 137 PHE H H 9.029 0.005 . 629 137 137 PHE C C 175.084 0.01 . 630 137 137 PHE CA C 56.854 0.012 . 631 137 137 PHE CB C 41.859 0.007 . 632 137 137 PHE N N 125.158 0.043 . 633 138 138 ALA H H 9.023 0.007 . 634 138 138 ALA C C 175.248 0.029 . 635 138 138 ALA CA C 52.153 0.023 . 636 138 138 ALA CB C 23.826 0.124 . 637 138 138 ALA N N 123.346 0.026 . 638 139 139 ASN H H 8.491 0.008 . 639 139 139 ASN C C 172.172 0.025 . 640 139 139 ASN CA C 57.083 0.009 . 641 139 139 ASN CB C 39.058 0.182 . 642 139 139 ASN N N 112.714 0.035 . 643 140 140 ASP H H 8.209 0.005 . 644 140 140 ASP C C 177.199 0.043 . 645 140 140 ASP CA C 56.072 0.04 . 646 140 140 ASP CB C 39.116 0.08 . 647 140 140 ASP N N 113.79 0.032 . 648 141 141 LEU H H 8.102 0.008 . 649 141 141 LEU C C 174.303 0 . 650 141 141 LEU CA C 57.57 0 . 651 141 141 LEU CB C 40.063 0 . 652 141 141 LEU N N 116.66 0.046 . 653 142 142 ASN H H 8.708 0.012 . 654 142 142 ASN C C 176.502 0.025 . 655 142 142 ASN CA C 55.337 0.024 . 656 142 142 ASN CB C 37.576 0 . 657 142 142 ASN N N 115.993 0.053 . 658 143 143 THR H H 7.447 0.006 . 659 143 143 THR C C 175.013 0.039 . 660 143 143 THR CA C 65.188 0.021 . 661 143 143 THR CB C 69.257 0 . 662 143 143 THR N N 116.266 0.02 . 663 144 144 THR H H 8.212 0.008 . 664 144 144 THR C C 176.633 0.054 . 665 144 144 THR CA C 62.756 0.037 . 666 144 144 THR CB C 69.859 0 . 667 144 144 THR N N 110.3 0.066 . 668 145 145 GLY H H 8.052 0.005 . 669 145 145 GLY C C 173.6 0.007 . 670 145 145 GLY CA C 46.153 0.085 . 671 145 145 GLY N N 109.238 0.036 . 672 146 146 TYR H H 6.935 0.016 . 673 146 146 TYR C C 175.418 0.011 . 674 146 146 TYR CA C 58.287 0 . 675 146 146 TYR CB C 38.98 0 . 676 146 146 TYR N N 120.428 0.074 . 677 147 147 ALA H H 8.113 0.009 . 678 147 147 ALA C C 178.581 0.041 . 679 147 147 ALA CA C 51.206 0.057 . 680 147 147 ALA CB C 18.119 0 . 681 147 147 ALA N N 123.32 0.113 . 682 148 148 ASP H H 8.153 0.012 . 683 148 148 ASP C C 176.525 0.013 . 684 148 148 ASP CA C 56.675 0.047 . 685 148 148 ASP CB C 41.598 0.005 . 686 148 148 ASP N N 115.717 0.028 . 687 149 149 THR H H 8.306 0.008 . 688 149 149 THR C C 172.315 0.021 . 689 149 149 THR CA C 62.358 0.02 . 690 149 149 THR CB C 71.298 0.039 . 691 149 149 THR N N 118.328 0.032 . 692 150 150 ARG H H 8.762 0.008 . 693 150 150 ARG C C 173.315 0.034 . 694 150 150 ARG CA C 54.962 0.022 . 695 150 150 ARG CB C 36.462 0 . 696 150 150 ARG N N 124.797 0.037 . 697 151 151 VAL H H 8.947 0.016 . 698 151 151 VAL C C 173.193 0.021 . 699 151 151 VAL CA C 59.834 0.025 . 700 151 151 VAL CB C 35.881 0.087 . 701 151 151 VAL N N 122.617 0.033 . 702 152 152 GLU H H 9.044 0.006 . 703 152 152 GLU C C 173.27 0.022 . 704 152 152 GLU CA C 54.142 0.014 . 705 152 152 GLU CB C 36.639 0.051 . 706 152 152 GLU N N 127.888 0.031 . 707 153 153 THR H H 8.914 0.01 . 708 153 153 THR C C 169.083 0.027 . 709 153 153 THR CA C 59.905 0.083 . 710 153 153 THR CB C 70.07 0.053 . 711 153 153 THR N N 122.176 0.029 . 712 154 154 GLU H H 5.415 0.007 . 713 154 154 GLU C C 175.565 0.016 . 714 154 154 GLU CA C 56.034 0.03 . 715 154 154 GLU CB C 31.235 0.032 . 716 154 154 GLU N N 124.405 0.056 . 717 155 155 THR H H 8.879 0.008 . 718 155 155 THR C C 171.432 0.006 . 719 155 155 THR CA C 59.916 0.037 . 720 155 155 THR CB C 70.605 0.11 . 721 155 155 THR N N 122.298 0.033 . 722 156 156 GLY H H 8.621 0.01 . 723 156 156 GLY C C 171.625 0.006 . 724 156 156 GLY CA C 47.774 0.068 . 725 156 156 GLY N N 114.197 0.036 . 726 157 157 LEU H H 8.47 0.006 . 727 157 157 LEU C C 175.491 0.008 . 728 157 157 LEU CA C 52.937 0.024 . 729 157 157 LEU CB C 46.547 0.038 . 730 157 157 LEU N N 118.794 0.023 . 731 158 158 GLN H H 8.955 0.005 . 732 158 158 GLN C C 174.345 0.013 . 733 158 158 GLN CA C 54.107 0.017 . 734 158 158 GLN CB C 32.761 0.05 . 735 158 158 GLN N N 120.239 0.05 . 736 159 159 TYR H H 9.75 0.005 . 737 159 159 TYR C C 174.385 0.01 . 738 159 159 TYR CA C 56.306 0.014 . 739 159 159 TYR CB C 42.398 0.032 . 740 159 159 TYR N N 131.255 0.025 . 741 160 160 THR H H 8.254 0.007 . 742 160 160 THR C C 173.195 0.012 . 743 160 160 THR CA C 62.688 0.011 . 744 160 160 THR CB C 69.902 0.042 . 745 160 160 THR N N 124.885 0.036 . 746 161 161 PHE H H 8.215 0.004 . 747 161 161 PHE C C 175.791 0.003 . 748 161 161 PHE CA C 61.068 0.031 . 749 161 161 PHE CB C 40.012 0.049 . 750 161 161 PHE N N 125.866 0.042 . 751 162 162 ASN H H 8.297 0.007 . 752 162 162 ASN C C 173.886 0.014 . 753 162 162 ASN CA C 52.527 0.019 . 754 162 162 ASN CB C 37.611 0.026 . 755 162 162 ASN N N 112.158 0.019 . 756 163 163 GLU H H 8.926 0.006 . 757 163 163 GLU C C 176.077 0.001 . 758 163 163 GLU CA C 59.149 0.025 . 759 163 163 GLU CB C 29.215 0.049 . 760 163 163 GLU N N 114.827 0.033 . 761 164 164 THR H H 8.483 0.009 . 762 164 164 THR C C 173.478 0.015 . 763 164 164 THR CA C 64.072 0.011 . 764 164 164 THR CB C 70.57 0.121 . 765 164 164 THR N N 114.941 0.04 . 766 165 165 VAL H H 7.75 0.005 . 767 165 165 VAL C C 172.43 0.014 . 768 165 165 VAL CA C 61.687 0.016 . 769 165 165 VAL CB C 35.253 0.032 . 770 165 165 VAL N N 118.868 0.047 . 771 166 166 ALA H H 8.097 0.006 . 772 166 166 ALA C C 172.768 0.009 . 773 166 166 ALA CA C 50.726 0.018 . 774 166 166 ALA CB C 23.378 0.065 . 775 166 166 ALA N N 129.37 0.036 . 776 167 167 LEU H H 8.875 0.006 . 777 167 167 LEU C C 175.089 0.021 . 778 167 167 LEU CA C 54.157 0.028 . 779 167 167 LEU CB C 47.811 0.013 . 780 167 167 LEU N N 116.755 0.029 . 781 168 168 ARG H H 9.298 0.007 . 782 168 168 ARG C C 175.317 0.046 . 783 168 168 ARG CA C 54.654 0.028 . 784 168 168 ARG CB C 34.31 0.027 . 785 168 168 ARG N N 124.909 0.023 . 786 169 169 VAL H H 8.825 0.008 . 787 169 169 VAL C C 172.53 0.01 . 788 169 169 VAL CA C 62.739 0.014 . 789 169 169 VAL CB C 34.25 0.021 . 790 169 169 VAL N N 123.068 0.017 . 791 170 170 ASN H H 9.5 0.007 . 792 170 170 ASN C C 174.317 0.021 . 793 170 170 ASN CA C 51.106 0.01 . 794 170 170 ASN CB C 42.633 0.045 . 795 170 170 ASN N N 122.058 0.032 . 796 171 171 TYR H H 9.573 0.006 . 797 171 171 TYR C C 172.725 0 . 798 171 171 TYR CA C 57.126 0.018 . 799 171 171 TYR CB C 41.696 0.104 . 800 171 171 TYR N N 122.509 0.023 . 801 172 172 TYR H H 8.365 0.005 . 802 172 172 TYR C C 171.949 0.013 . 803 172 172 TYR CA C 55.796 0.023 . 804 172 172 TYR CB C 43.346 0.045 . 805 172 172 TYR N N 127.925 0.043 . 806 173 173 LEU H H 7.565 0.012 . 807 173 173 LEU C C 173.752 0.009 . 808 173 173 LEU CA C 52.951 0.016 . 809 173 173 LEU CB C 45.909 0.082 . 810 173 173 LEU N N 126.98 0.05 . 811 174 174 GLU H H 8.669 0.009 . 812 174 174 GLU C C 174.261 0.025 . 813 174 174 GLU CA C 55.726 0.05 . 814 174 174 GLU CB C 33.216 0 . 815 174 174 GLU N N 124.274 0.028 . 816 175 175 ARG H H 9.006 0.008 . 817 175 175 ARG C C 174.071 0.022 . 818 175 175 ARG CA C 54.756 0.031 . 819 175 175 ARG CB C 34.554 0.158 . 820 175 175 ARG N N 126.741 0.063 . 821 176 176 GLY H H 7.453 0.004 . 822 176 176 GLY C C 172.32 0.006 . 823 176 176 GLY CA C 44.67 0.062 . 824 176 176 GLY N N 113.805 0.02 . 825 177 177 PHE H H 8.804 0.008 . 826 177 177 PHE C C 170.822 0.012 . 827 177 177 PHE CA C 56.191 0.02 . 828 177 177 PHE CB C 40.233 0.024 . 829 177 177 PHE N N 121.983 0.033 . 830 178 178 ASN H H 8.879 0.004 . 831 178 178 ASN C C 176.186 0.003 . 832 178 178 ASN CA C 52.684 0.017 . 833 178 178 ASN CB C 42.135 0.091 . 834 178 178 ASN N N 117.808 0.012 . 835 179 179 MET H H 11.217 0.008 . 836 179 179 MET C C 177.231 0 . 837 179 179 MET CA C 56.643 0.012 . 838 179 179 MET CB C 30.757 0.059 . 839 179 179 MET N N 125.313 0.048 . 840 180 180 ASP H H 8.429 0.009 . 841 180 180 ASP C C 176.192 0.048 . 842 180 180 ASP CA C 54.12 0.032 . 843 180 180 ASP CB C 41.617 0.071 . 844 180 180 ASP N N 120.764 0.035 . 845 181 181 ASP H H 8.179 0.007 . 846 181 181 ASP C C 176.528 0.048 . 847 181 181 ASP CA C 55.259 0.026 . 848 181 181 ASP CB C 41.077 0.027 . 849 181 181 ASP N N 122.601 0.038 . 850 182 182 SER H H 8.625 0.006 . 851 182 182 SER C C 174.036 0.007 . 852 182 182 SER CA C 59.343 0.024 . 853 182 182 SER CB C 64.145 0.092 . 854 182 182 SER N N 115.062 0.023 . 855 183 183 ARG H H 7.803 0.004 . 856 183 183 ARG C C 175.063 0.002 . 857 183 183 ARG CA C 56.006 0.006 . 858 183 183 ARG CB C 32.637 0.039 . 859 183 183 ARG N N 122.397 0.038 . 860 184 184 ASN H H 8.305 0.006 . 861 184 184 ASN C C 175.009 0.03 . 862 184 184 ASN CA C 52.64 0.026 . 863 184 184 ASN CB C 39.975 0.023 . 864 184 184 ASN N N 117.253 0.022 . 865 185 185 ASN H H 7.544 0.005 . 866 185 185 ASN C C 175.687 0.018 . 867 185 185 ASN CA C 54.288 0.027 . 868 185 185 ASN CB C 39.7 0.083 . 869 185 185 ASN N N 116.947 0.018 . 870 186 186 GLY H H 8.359 0.013 . 871 186 186 GLY C C 174.663 0.059 . 872 186 186 GLY CA C 46.717 0.089 . 873 186 186 GLY N N 106.659 0.037 . 874 187 187 GLU H H 8.021 0.009 . 875 187 187 GLU C C 175.206 0 . 876 187 187 GLU CA C 57.364 0 . 877 187 187 GLU CB C 29.819 0 . 878 187 187 GLU N N 120.099 0.076 . 879 188 188 PHE C C 173.173 0 . 880 188 188 PHE CA C 57.184 0.008 . 881 188 188 PHE CB C 40.463 0 . 882 189 189 SER H H 8.441 0.011 . 883 189 189 SER C C 173.246 0.048 . 884 189 189 SER CA C 57.876 0.079 . 885 189 189 SER CB C 65.079 0 . 886 189 189 SER N N 114.675 0.024 . 887 190 190 THR H H 9.454 0.009 . 888 190 190 THR C C 172.734 0.029 . 889 190 190 THR CA C 62.076 0.012 . 890 190 190 THR CB C 72.415 0.231 . 891 190 190 THR N N 125.537 0.048 . 892 191 191 GLN H H 8.687 0.012 . 893 191 191 GLN C C 175.943 0.019 . 894 191 191 GLN CA C 54.951 0.119 . 895 191 191 GLN CB C 34.6 0 . 896 191 191 GLN N N 123.656 0.039 . 897 192 192 GLU H H 9.706 0.009 . 898 192 192 GLU C C 175.069 0.033 . 899 192 192 GLU CA C 54.7 0.002 . 900 192 192 GLU CB C 35.674 0.024 . 901 192 192 GLU N N 122.287 0.081 . 902 193 193 ILE H H 8.754 0.006 . 903 193 193 ILE C C 174.862 0.051 . 904 193 193 ILE CA C 59.625 0.081 . 905 193 193 ILE CB C 39.682 0 . 906 193 193 ILE N N 117.567 0.014 . 907 194 194 ARG H H 9.364 0.013 . 908 194 194 ARG C C 173.295 0.014 . 909 194 194 ARG CA C 54.998 0.019 . 910 194 194 ARG CB C 33.734 0.132 . 911 194 194 ARG N N 126.625 0.035 . 912 195 195 ALA H H 8.386 0.006 . 913 195 195 ALA C C 174.978 0.014 . 914 195 195 ALA CA C 49.9 0.018 . 915 195 195 ALA CB C 22.124 0.03 . 916 195 195 ALA N N 124.416 0.029 . 917 196 196 TYR H H 9.4 0.008 . 918 196 196 TYR C C 174.166 0.018 . 919 196 196 TYR CA C 56.048 0.039 . 920 196 196 TYR CB C 42.619 0.069 . 921 196 196 TYR N N 117.525 0.019 . 922 197 197 LEU H H 8.324 0.009 . 923 197 197 LEU C C 170.759 0 . 924 197 197 LEU CA C 51.664 0 . 925 197 197 LEU CB C 45.027 0 . 926 197 197 LEU N N 124.249 0.041 . 927 198 198 PRO C C 177.246 0.007 . 928 198 198 PRO CA C 64.19 0.016 . 929 198 198 PRO CB C 32.043 0.006 . 930 199 199 LEU H H 9.388 0.007 . 931 199 199 LEU C C 178.362 0.017 . 932 199 199 LEU CA C 53.648 0.019 . 933 199 199 LEU CB C 43.935 0.039 . 934 199 199 LEU N N 128.12 0.019 . 935 200 200 THR H H 9.26 0.007 . 936 200 200 THR C C 173.637 0.005 . 937 200 200 THR CA C 61.649 0.018 . 938 200 200 THR CB C 70.545 0.028 . 939 200 200 THR N N 120.844 0.017 . 940 201 201 LEU H H 8.458 0.005 . 941 201 201 LEU C C 176.017 0.012 . 942 201 201 LEU CA C 52.837 0.011 . 943 201 201 LEU CB C 43.453 0.006 . 944 201 201 LEU N N 128.231 0.018 . 945 202 202 GLY H H 8.584 0.005 . 946 202 202 GLY C C 175.128 0.012 . 947 202 202 GLY CA C 47.426 0.035 . 948 202 202 GLY N N 112.837 0.019 . 949 203 203 ASN H H 9.101 0.006 . 950 203 203 ASN C C 173.874 0.049 . 951 203 203 ASN CA C 54.503 0.039 . 952 203 203 ASN CB C 38.863 0.001 . 953 203 203 ASN N N 126.424 0.046 . 954 204 204 HIS H H 8.212 0.006 . 955 204 204 HIS C C 175.452 0.027 . 956 204 204 HIS CA C 55.816 0.025 . 957 204 204 HIS CB C 33.411 0.022 . 958 204 204 HIS N N 120.554 0.031 . 959 205 205 SER H H 9.219 0.005 . 960 205 205 SER C C 172.894 0.023 . 961 205 205 SER CA C 57.488 0.028 . 962 205 205 SER CB C 64.921 0.024 . 963 205 205 SER N N 119.691 0.024 . 964 206 206 VAL H H 8.822 0.006 . 965 206 206 VAL C C 174.534 0.016 . 966 206 206 VAL CA C 61.174 0.015 . 967 206 206 VAL CB C 35.402 0.021 . 968 206 206 VAL N N 124.496 0.054 . 969 207 207 THR H H 9.792 0.008 . 970 207 207 THR C C 173.509 0 . 971 207 207 THR CA C 59.138 0 . 972 207 207 THR CB C 71.25 0 . 973 207 207 THR N N 121.989 0.04 . 974 208 208 PRO C C 175.587 0.034 . 975 208 208 PRO CA C 62.289 0.003 . 976 208 208 PRO CB C 32.695 0.007 . 977 209 209 TYR H H 8.966 0.006 . 978 209 209 TYR C C 172.505 0.018 . 979 209 209 TYR CA C 56.855 0.039 . 980 209 209 TYR CB C 42.579 0.074 . 981 209 209 TYR N N 119.33 0.04 . 982 210 210 THR H H 8.83 0.008 . 983 210 210 THR CA C 59.259 0 . 984 210 210 THR CB C 72.893 0 . 985 210 210 THR N N 111.643 0.057 . 986 236 236 VAL C C 175.943 0 . 987 237 237 GLY H H 8.121 0.019 . 988 237 237 GLY C C 170.025 0.065 . 989 237 237 GLY CA C 45.944 0.05 . 990 237 237 GLY N N 111.626 0.056 . 991 238 238 LEU H H 9.088 0.008 . 992 238 238 LEU C C 174.192 0.027 . 993 238 238 LEU CA C 54.93 0 . 994 238 238 LEU CB C 46.727 0 . 995 238 238 LEU N N 117.661 0.034 . 996 239 239 PHE H H 8.056 0.012 . 997 239 239 PHE C C 173.653 0 . 998 239 239 PHE CA C 56.181 0 . 999 239 239 PHE CB C 42.382 0 . 1000 239 239 PHE N N 123.553 0.043 . 1001 240 240 TYR H H 9.439 0.009 . 1002 240 240 TYR C C 172.936 0.037 . 1003 240 240 TYR CA C 56.586 0.066 . 1004 240 240 TYR CB C 42.548 0.033 . 1005 240 240 TYR N N 129.553 0.091 . 1006 241 241 GLY H H 8.618 0.01 . 1007 241 241 GLY C C 170.27 0.031 . 1008 241 241 GLY CA C 44.579 0.05 . 1009 241 241 GLY N N 114.663 0.04 . 1010 242 242 TYR H H 8.181 0.006 . 1011 242 242 TYR C C 173.207 0.01 . 1012 242 242 TYR CA C 57.902 0.016 . 1013 242 242 TYR CB C 42.011 0.022 . 1014 242 242 TYR N N 119.723 0.025 . 1015 243 243 ASP H H 6.684 0.007 . 1016 243 243 ASP C C 175.061 0.041 . 1017 243 243 ASP CA C 52.495 0.027 . 1018 243 243 ASP CB C 42.899 0.002 . 1019 243 243 ASP N N 126.548 0.022 . 1020 244 244 PHE H H 8.528 0.006 . 1021 244 244 PHE C C 176.58 0.032 . 1022 244 244 PHE CA C 60.476 0.017 . 1023 244 244 PHE CB C 39.082 0.016 . 1024 244 244 PHE N N 121.378 0.031 . 1025 245 245 GLN H H 9.442 0.003 . 1026 245 245 GLN C C 174.641 0 . 1027 245 245 GLN CA C 58.011 0.016 . 1028 245 245 GLN CB C 26.047 0.022 . 1029 245 245 GLN N N 112.794 0.023 . 1030 246 246 ASN H H 7.816 0.005 . 1031 246 246 ASN C C 175.229 0.006 . 1032 246 246 ASN CA C 52.133 0.018 . 1033 246 246 ASN CB C 39.136 0.055 . 1034 246 246 ASN N N 116.199 0.03 . 1035 247 247 GLY H H 8.7 0.005 . 1036 247 247 GLY C C 175.09 0.032 . 1037 247 247 GLY CA C 45.858 0.048 . 1038 247 247 GLY N N 109.528 0.029 . 1039 248 248 LEU H H 8.415 0.008 . 1040 248 248 LEU C C 175.422 0.003 . 1041 248 248 LEU CA C 54.828 0.013 . 1042 248 248 LEU CB C 44.727 0.006 . 1043 248 248 LEU N N 124.628 0.028 . 1044 249 249 SER H H 9.549 0.007 . 1045 249 249 SER C C 172.671 0.016 . 1046 249 249 SER CA C 57.752 0.014 . 1047 249 249 SER CB C 66.499 0.024 . 1048 249 249 SER N N 118.822 0.036 . 1049 250 250 VAL H H 8.876 0.004 . 1050 250 250 VAL C C 174.7 0.028 . 1051 250 250 VAL CA C 59.339 0.034 . 1052 250 250 VAL CB C 36.681 0.052 . 1053 250 250 VAL N N 115.482 0.024 . 1054 251 251 SER H H 9.391 0.008 . 1055 251 251 SER C C 172.349 0.014 . 1056 251 251 SER CA C 56.948 0.019 . 1057 251 251 SER CB C 67.757 0.076 . 1058 251 251 SER N N 119.757 0.018 . 1059 252 252 LEU H H 9.466 0.005 . 1060 252 252 LEU C C 174.503 0.01 . 1061 252 252 LEU CA C 54.449 0.007 . 1062 252 252 LEU CB C 47.538 0.017 . 1063 252 252 LEU N N 121.66 0.029 . 1064 253 253 GLU H H 9.123 0.009 . 1065 253 253 GLU C C 173.918 0.033 . 1066 253 253 GLU CA C 54.984 0.071 . 1067 253 253 GLU CB C 33.875 0.065 . 1068 253 253 GLU N N 122.544 0.065 . 1069 254 254 TYR H H 8.463 0.01 . 1070 254 254 TYR C C 173.332 0 . 1071 254 254 TYR CA C 56.882 0 . 1072 254 254 TYR CB C 43.632 0 . 1073 254 254 TYR N N 123.429 0.116 . 1074 261 261 HIS C C 174.443 0 . 1075 261 261 HIS CA C 54.866 0.021 . 1076 261 261 HIS CB C 30.281 0.004 . 1077 262 262 ASP H H 8.655 0.008 . 1078 262 262 ASP C C 176.287 0.053 . 1079 262 262 ASP CA C 56.134 0.079 . 1080 262 262 ASP CB C 41.198 0 . 1081 262 262 ASP N N 121.546 0.06 . 1082 263 263 GLU H H 8.381 0.005 . 1083 263 263 GLU C C 176.428 0.009 . 1084 263 263 GLU CA C 56.748 0.018 . 1085 263 263 GLU CB C 30.422 0.066 . 1086 263 263 GLU N N 118.471 0.047 . 1087 264 264 GLY H H 8.177 0.002 . 1088 264 264 GLY C C 173.58 0.006 . 1089 264 264 GLY CA C 45.495 0.035 . 1090 264 264 GLY N N 108.8 0.027 . 1091 265 265 ASP H H 8.181 0.006 . 1092 265 265 ASP C C 176.189 0.005 . 1093 265 265 ASP CA C 54.335 0.027 . 1094 265 265 ASP CB C 41.748 0.03 . 1095 265 265 ASP N N 120.252 0.026 . 1096 266 266 SER H H 8.449 0.009 . 1097 266 266 SER C C 174.445 0.025 . 1098 266 266 SER CA C 58.606 0.034 . 1099 266 266 SER CB C 64.335 0.025 . 1100 266 266 SER N N 115.787 0.014 . 1101 267 267 ASP H H 8.537 0.008 . 1102 267 267 ASP C C 176.274 0 . 1103 267 267 ASP CA C 54.621 0.016 . 1104 267 267 ASP CB C 42.669 0 . 1105 267 267 ASP N N 122.916 0.029 . 1106 268 268 LYS H H 8.285 0.011 . 1107 268 268 LYS C C 176.325 0 . 1108 268 268 LYS CA C 56.373 0 . 1109 268 268 LYS N N 114.552 0.105 . 1110 272 272 ALA C C 175.228 0 . 1111 272 272 ALA CA C 51.391 0.125 . 1112 273 273 GLY H H 8.811 0.006 . 1113 273 273 GLY C C 171.935 0.101 . 1114 273 273 GLY CA C 46.343 0.079 . 1115 273 273 GLY N N 105.867 0.06 . 1116 274 274 VAL H H 8.759 0.008 . 1117 274 274 VAL C C 173.346 0 . 1118 274 274 VAL CA C 59.572 0.06 . 1119 274 274 VAL CB C 35.672 0.019 . 1120 274 274 VAL N N 119.962 0.074 . 1121 275 275 GLY H H 9.093 0.004 . 1122 275 275 GLY C C 171.715 0.022 . 1123 275 275 GLY CA C 45.797 0.037 . 1124 275 275 GLY N N 112.313 0.036 . 1125 276 276 VAL H H 8.742 0.006 . 1126 276 276 VAL C C 172.96 0.021 . 1127 276 276 VAL CA C 60.203 0.03 . 1128 276 276 VAL CB C 35.883 0.016 . 1129 276 276 VAL N N 116.122 0.029 . 1130 277 277 ASN H H 8.938 0.006 . 1131 277 277 ASN C C 172.441 0.012 . 1132 277 277 ASN CA C 53.337 0.031 . 1133 277 277 ASN CB C 44.527 0.02 . 1134 277 277 ASN N N 123.302 0.019 . 1135 278 278 TYR H H 9.885 0.004 . 1136 278 278 TYR C C 173.319 0.005 . 1137 278 278 TYR CA C 56.686 0.06 . 1138 278 278 TYR CB C 41.948 0.019 . 1139 278 278 TYR N N 127.244 0.031 . 1140 279 279 SER H H 8.439 0.004 . 1141 279 279 SER C C 173.273 0.004 . 1142 279 279 SER CA C 56.359 0.045 . 1143 279 279 SER CB C 66.006 0.145 . 1144 279 279 SER N N 124.318 0.015 . 1145 280 280 PHE H H 8.546 0.005 . 1146 280 280 PHE C C 178.148 0 . 1147 280 280 PHE CA C 58.25 0 . 1148 280 280 PHE CB C 39.008 0 . 1149 280 280 PHE N N 127.018 0.014 . stop_ save_