data_17660 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Backbone 1H, 13C, and 15N Chemical Shift Assignments for LmrA-NBD ; _BMRB_accession_number 17660 _BMRB_flat_file_name bmr17660.str _Entry_type original _Submission_date 2011-05-23 _Accession_date 2011-05-23 _Entry_origination author _NMR_STAR_version 2.1.1 _Experimental_method NMR _Details . loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Woehnert Jens . . 2 Hellmich Ute . . 3 Duchardt-Ferner Elke . . 4 Glaubitz Clemens . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 247 "13C chemical shifts" 724 "15N chemical shifts" 247 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2012-08-20 update BMRB 'update entry citation' 2012-07-11 original author 'original release' stop_ save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title 'Backbone NMR resonance assignments of the nucleotide binding domain of the ABC multidrug transporter LmrA from Lactococcus lactis in its ADP-bound state.' _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 21786024 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Hellmich Ute A. . 2 Duchardt-Ferner Elke . . 3 Glaubitz Clemens . . 4 Wohnert Jens . . stop_ _Journal_abbreviation 'Biomol. NMR Assignments' _Journal_name_full 'Biomolecular NMR assignments' _Journal_volume 6 _Journal_issue 1 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 69 _Page_last 73 _Year 2012 _Details . save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name 'LmrA-NBD ADP complex' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label 'nucleotide binding domain' $LmrA-NBD 'adenosine 5'-phosphate' $ADP stop_ _System_molecular_weight 29306.401 _System_physical_state native _System_oligomer_state ? _System_paramagnetic no _System_thiol_state . _Database_query_date . _Details 'LmrA nucleotide binding domain in complex with adenosine 5'-phosphate' save_ ######################## # Monomeric polymers # ######################## save_LmrA-NBD _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common LmrA-NBD _Molecular_mass 28879.2 _Mol_thiol_state 'not present' loop_ _Biological_function ATPase stop_ _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 263 _Mol_residue_sequence ; GSDEEQEVLHQGDSLDLEGK TLSAHHVDFAYDDSEQILHD ISFEAQPNSIIAFAGPSGGG KSTIFSLLERFYQPTAGEIT IGGQPIDSVSLENWRSQIGF VSQDSAIMAGTIRENLTYGL EGNFTDEDLWQVLDLAFARS FVENMPDQLNTEVGERGVKI SGGQRQRLAIARAFLRNPKI LMLDEATASLDSESESMVQR ALDSLMKGRTTLVIAHRLST IVDADKIYFIEKGEITGSGK HNELVATHPLYAKYVSEQLT VGQ ; loop_ _Residue_seq_code _Residue_label 1 GLY 2 SER 3 ASP 4 GLU 5 GLU 6 GLN 7 GLU 8 VAL 9 LEU 10 HIS 11 GLN 12 GLY 13 ASP 14 SER 15 LEU 16 ASP 17 LEU 18 GLU 19 GLY 20 LYS 21 THR 22 LEU 23 SER 24 ALA 25 HIS 26 HIS 27 VAL 28 ASP 29 PHE 30 ALA 31 TYR 32 ASP 33 ASP 34 SER 35 GLU 36 GLN 37 ILE 38 LEU 39 HIS 40 ASP 41 ILE 42 SER 43 PHE 44 GLU 45 ALA 46 GLN 47 PRO 48 ASN 49 SER 50 ILE 51 ILE 52 ALA 53 PHE 54 ALA 55 GLY 56 PRO 57 SER 58 GLY 59 GLY 60 GLY 61 LYS 62 SER 63 THR 64 ILE 65 PHE 66 SER 67 LEU 68 LEU 69 GLU 70 ARG 71 PHE 72 TYR 73 GLN 74 PRO 75 THR 76 ALA 77 GLY 78 GLU 79 ILE 80 THR 81 ILE 82 GLY 83 GLY 84 GLN 85 PRO 86 ILE 87 ASP 88 SER 89 VAL 90 SER 91 LEU 92 GLU 93 ASN 94 TRP 95 ARG 96 SER 97 GLN 98 ILE 99 GLY 100 PHE 101 VAL 102 SER 103 GLN 104 ASP 105 SER 106 ALA 107 ILE 108 MET 109 ALA 110 GLY 111 THR 112 ILE 113 ARG 114 GLU 115 ASN 116 LEU 117 THR 118 TYR 119 GLY 120 LEU 121 GLU 122 GLY 123 ASN 124 PHE 125 THR 126 ASP 127 GLU 128 ASP 129 LEU 130 TRP 131 GLN 132 VAL 133 LEU 134 ASP 135 LEU 136 ALA 137 PHE 138 ALA 139 ARG 140 SER 141 PHE 142 VAL 143 GLU 144 ASN 145 MET 146 PRO 147 ASP 148 GLN 149 LEU 150 ASN 151 THR 152 GLU 153 VAL 154 GLY 155 GLU 156 ARG 157 GLY 158 VAL 159 LYS 160 ILE 161 SER 162 GLY 163 GLY 164 GLN 165 ARG 166 GLN 167 ARG 168 LEU 169 ALA 170 ILE 171 ALA 172 ARG 173 ALA 174 PHE 175 LEU 176 ARG 177 ASN 178 PRO 179 LYS 180 ILE 181 LEU 182 MET 183 LEU 184 ASP 185 GLU 186 ALA 187 THR 188 ALA 189 SER 190 LEU 191 ASP 192 SER 193 GLU 194 SER 195 GLU 196 SER 197 MET 198 VAL 199 GLN 200 ARG 201 ALA 202 LEU 203 ASP 204 SER 205 LEU 206 MET 207 LYS 208 GLY 209 ARG 210 THR 211 THR 212 LEU 213 VAL 214 ILE 215 ALA 216 HIS 217 ARG 218 LEU 219 SER 220 THR 221 ILE 222 VAL 223 ASP 224 ALA 225 ASP 226 LYS 227 ILE 228 TYR 229 PHE 230 ILE 231 GLU 232 LYS 233 GLY 234 GLU 235 ILE 236 THR 237 GLY 238 SER 239 GLY 240 LYS 241 HIS 242 ASN 243 GLU 244 LEU 245 VAL 246 ALA 247 THR 248 HIS 249 PRO 250 LEU 251 TYR 252 ALA 253 LYS 254 TYR 255 VAL 256 SER 257 GLU 258 GLN 259 LEU 260 THR 261 VAL 262 GLY 263 GLN stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2015-08-12 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 EMBL CAL98427 "multidrug resistance ABC transporter ATP-binding and permease protein [Lactococcus lactis subsp. cremoris MG1363]" 99.24 590 100.00 100.00 0.00e+00 GB AAB49750 "multidrug resistance protein LmrA [Lactococcus lactis subsp. cremoris MG1363]" 99.24 590 100.00 100.00 0.00e+00 GB ABF67597 "multidrug transporter, partial [Lactococcus lactis subsp. cremoris]" 98.48 587 100.00 100.00 0.00e+00 GB ADJ60835 "multidrug resistance ABC transporter ATP-binding and permease protein [Lactococcus lactis subsp. cremoris NZ9000]" 99.24 590 100.00 100.00 0.00e+00 GB AEU41048 "Lipid A export ATP-binding/permease protein MsbA [Lactococcus lactis subsp. cremoris A76]" 99.24 334 98.85 99.23 0.00e+00 GB AGV72614 "ABC transporter ATP-binding/permease protein [Lactococcus lactis subsp. cremoris KW2]" 99.24 590 99.62 100.00 0.00e+00 REF WP_041168686 "multidrug ABC transporter permease [Lactococcus lactis]" 99.24 584 99.62 100.00 0.00e+00 REF WP_041931331 "multidrug ABC transporter permease [Lactococcus lactis]" 99.24 584 100.00 100.00 0.00e+00 REF WP_042748901 "multidrug ABC transporter permease [Lactococcus lactis]" 99.24 584 99.62 100.00 0.00e+00 REF WP_043736657 "multidrug ABC transporter permease [Lactococcus lactis]" 99.24 584 99.62 99.62 0.00e+00 REF WP_046125038 "multidrug ABC transporter permease [Lactococcus lactis]" 99.24 584 99.62 99.62 0.00e+00 SP P97046 "RecName: Full=Multidrug resistance ABC transporter ATP-binding and permease protein" 99.24 590 100.00 100.00 0.00e+00 stop_ save_ ############# # Ligands # ############# save_ADP _Saveframe_category ligand _Mol_type non-polymer _Name_common "ADP (ADENOSINE-5'-DIPHOSPHATE)" _BMRB_code . _PDB_code ADP _Molecular_mass 427.201 _Mol_charge 0 _Mol_paramagnetic . _Mol_aromatic yes _Details ; Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Mon May 23 11:24:23 2011 ; loop_ _Atom_name _PDB_atom_name _Atom_type _Atom_chirality _Atom_charge _Atom_oxidation_number _Atom_unpaired_electrons PB PB P . 0 . ? O1B O1B O . 0 . ? O2B O2B O . 0 . ? O3B O3B O . 0 . ? PA PA P . 0 . ? O1A O1A O . 0 . ? O2A O2A O . 0 . ? O3A O3A O . 0 . ? O5' O5' O . 0 . ? C5' C5' C . 0 . ? C4' C4' C . 0 . ? O4' O4' O . 0 . ? C3' C3' C . 0 . ? O3' O3' O . 0 . ? C2' C2' C . 0 . ? O2' O2' O . 0 . ? C1' C1' C . 0 . ? N9 N9 N . 0 . ? C8 C8 C . 0 . ? N7 N7 N . 0 . ? C5 C5 C . 0 . ? C6 C6 C . 0 . ? N6 N6 N . 0 . ? N1 N1 N . 0 . ? C2 C2 C . 0 . ? N3 N3 N . 0 . ? C4 C4 C . 0 . ? HOB2 HOB2 H . 0 . ? HOB3 HOB3 H . 0 . ? HOA2 HOA2 H . 0 . ? H5'1 H5'1 H . 0 . ? H5'2 H5'2 H . 0 . ? H4' H4' H . 0 . ? H3' H3' H . 0 . ? HO3' HO3' H . 0 . ? H2' H2' H . 0 . ? HO2' HO2' H . 0 . ? H1' H1' H . 0 . ? H8 H8 H . 0 . ? HN61 HN61 H . 0 . ? HN62 HN62 H . 0 . ? H2 H2 H . 0 . ? stop_ loop_ _Bond_order _Bond_atom_one_atom_name _Bond_atom_two_atom_name _PDB_bond_atom_one_atom_name _PDB_bond_atom_two_atom_name DOUB PB O1B ? ? SING PB O2B ? ? SING PB O3B ? ? SING PB O3A ? ? SING O2B HOB2 ? ? SING O3B HOB3 ? ? DOUB PA O1A ? ? SING PA O2A ? ? SING PA O3A ? ? SING PA O5' ? ? SING O2A HOA2 ? ? SING O5' C5' ? ? SING C5' C4' ? ? SING C5' H5'1 ? ? SING C5' H5'2 ? ? SING C4' O4' ? ? SING C4' C3' ? ? SING C4' H4' ? ? SING O4' C1' ? ? SING C3' O3' ? ? SING C3' C2' ? ? SING C3' H3' ? ? SING O3' HO3' ? ? SING C2' O2' ? ? SING C2' C1' ? ? SING C2' H2' ? ? SING O2' HO2' ? ? SING C1' N9 ? ? SING C1' H1' ? ? SING N9 C8 ? ? SING N9 C4 ? ? DOUB C8 N7 ? ? SING C8 H8 ? ? SING N7 C5 ? ? SING C5 C6 ? ? DOUB C5 C4 ? ? SING C6 N6 ? ? DOUB C6 N1 ? ? SING N6 HN61 ? ? SING N6 HN62 ? ? SING N1 C2 ? ? DOUB C2 N3 ? ? SING C2 H2 ? ? SING N3 C4 ? ? stop_ _Mol_thiol_state . _Sequence_homology_query_date . save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species $LmrA-NBD 'Lactococcus lactis' 1358 Bacteria . Lactococcus lactis 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 $LmrA-NBD 'recombinant technology' . Escherichia coli . pET11 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_2 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $LmrA-NBD 300 uM '[U-100% 15N; U-90% 2H]' $ADP 10 mM 'natural abundance' H2O 90 % 'natural abundance' D2O 10 % 'natural abundance' NaCl 50 mM 'natural abundance' stop_ save_ save_sample_1 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $LmrA-NBD 300 uM '[U-100% 13C; U-100% 15N; U-90% 2H]' $ADP 10 mM 'natural abundance' H20 90 % 'natural abundance' D20 10 % 'natural abundance' NaCl 50 mM 'natural abundance' stop_ save_ ############################ # Computer software used # ############################ save_TOPSPIN _Saveframe_category software _Name TOPSPIN _Version . loop_ _Vendor _Address _Electronic_address 'Bruker Biospin' . . stop_ loop_ _Task collection processing stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _Field_strength 950 _Details . save_ save_spectrometer_2 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _Field_strength 900 _Details . save_ save_spectrometer_3 _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_HNCA_2 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCA' _Sample_label $sample_1 save_ save_3D_HNCACB_3 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCACB' _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(CO)CA_5 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HN(CO)CA' _Sample_label $sample_1 save_ save_3D_HN(COCA)CB_6 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HN(COCA)CB' _Sample_label $sample_1 save_ save_3D_1H-15N_NOESY_7 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-15N NOESY' _Sample_label $sample_2 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 6.5 . pH pressure 1 . atm temperature 298 . K stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference_1 _Saveframe_category chemical_shift_reference _Details . 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 . indirect . . . 0.251449530 DSS H 1 'methyl protons' ppm 0.00 internal direct . 'separate tube (no insert) similar to the experimental sample tube' . 1.000000000 DSS N 15 'methyl protons' ppm 0.00 . 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 HNCA' '3D HNCACB' '3D HNCO' '3D HN(CO)CA' '3D HN(COCA)CB' '3D 1H-15N NOESY' stop_ loop_ _Sample_label $sample_1 $sample_2 stop_ _Sample_conditions_label $sample_conditions_1 _Chem_shift_reference_set_label $chemical_shift_reference_1 _Mol_system_component_name 'nucleotide binding domain' _Text_data_format . _Text_data . loop_ _Atom_shift_assign_ID _Residue_author_seq_code _Residue_seq_code _Residue_label _Atom_name _Atom_type _Chem_shift_value _Chem_shift_value_error _Chem_shift_ambiguity_code 1 2 2 SER C C 171.884 0.3 1 2 2 2 SER CA C 55.550 0.3 1 3 2 2 SER CB C 60.468 0.3 1 4 3 3 ASP H H 8.478 0.020 1 5 3 3 ASP C C 173.793 0.3 1 6 3 3 ASP CA C 51.891 0.3 1 7 3 3 ASP CB C 37.353 0.3 1 8 3 3 ASP N N 122.000 0.3 1 9 4 4 GLU H H 8.166 0.020 1 10 4 4 GLU C C 174.134 0.3 1 11 4 4 GLU CA C 53.911 0.3 1 12 4 4 GLU CB C 26.438 0.3 1 13 4 4 GLU N N 120.265 0.3 1 14 5 5 GLU H H 8.129 0.020 1 15 5 5 GLU C C 173.980 0.3 1 16 5 5 GLU CA C 53.655 0.3 1 17 5 5 GLU CB C 26.392 0.3 1 18 5 5 GLU N N 121.433 0.3 1 19 6 6 GLN H H 8.133 0.020 1 20 6 6 GLN C C 173.384 0.3 1 21 6 6 GLN CA C 52.760 0.3 1 22 6 6 GLN CB C 26.064 0.3 1 23 6 6 GLN N N 120.842 0.3 1 24 7 7 GLU H H 8.262 0.020 1 25 7 7 GLU C C 173.827 0.3 1 26 7 7 GLU CA C 53.655 0.3 1 27 7 7 GLU CB C 26.392 0.3 1 28 7 7 GLU N N 122.588 0.3 1 29 8 8 VAL H H 8.023 0.020 1 30 8 8 VAL C C 173.367 0.3 1 31 8 8 VAL CA C 59.305 0.3 1 32 8 8 VAL CB C 28.778 0.3 1 33 8 8 VAL N N 121.946 0.3 1 34 9 9 LEU H H 8.072 0.020 1 35 9 9 LEU C C 174.338 0.3 1 36 9 9 LEU CA C 51.968 0.3 1 37 9 9 LEU CB C 38.695 0.3 1 38 9 9 LEU N N 125.459 0.3 1 39 10 10 HIS H H 8.328 0.020 1 40 10 10 HIS C C 172.037 0.3 1 41 10 10 HIS CA C 52.325 0.3 1 42 10 10 HIS CB C 25.765 0.3 1 43 10 10 HIS N N 120.253 0.3 1 44 11 11 GLN H H 8.314 0.020 1 45 11 11 GLN C C 173.639 0.3 1 46 11 11 GLN CA C 52.965 0.3 1 47 11 11 GLN CB C 25.870 0.3 1 48 11 11 GLN N N 122.476 0.3 1 49 12 12 GLY H H 8.321 0.020 1 50 12 12 GLY C C 170.980 0.3 1 51 12 12 GLY CA C 41.972 0.3 1 52 12 12 GLY N N 110.468 0.3 1 53 13 13 ASP H H 8.125 0.020 1 54 13 13 ASP C C 173.707 0.3 1 55 13 13 ASP CA C 51.073 0.3 1 56 13 13 ASP CB C 38.429 0.3 1 57 13 13 ASP N N 120.370 0.3 1 58 14 14 SER H H 8.173 0.020 1 59 14 14 SER C C 170.861 0.3 1 60 14 14 SER CA C 54.933 0.3 1 61 14 14 SER CB C 60.960 0.3 1 62 14 14 SER N N 116.023 0.3 1 63 15 15 LEU H H 8.187 0.020 1 64 15 15 LEU C C 172.224 0.3 1 65 15 15 LEU CA C 51.916 0.3 1 66 15 15 LEU CB C 41.156 0.3 1 67 15 15 LEU N N 124.683 0.3 1 68 16 16 ASP H H 8.409 0.020 1 69 16 16 ASP C C 174.321 0.3 1 70 16 16 ASP CA C 50.152 0.3 1 71 16 16 ASP CB C 37.800 0.3 1 72 16 16 ASP N N 125.841 0.3 1 73 17 17 LEU H H 8.657 0.020 1 74 17 17 LEU C C 174.849 0.3 1 75 17 17 LEU CA C 52.939 0.3 1 76 17 17 LEU CB C 37.726 0.3 1 77 17 17 LEU N N 124.578 0.3 1 78 18 18 GLU H H 8.282 0.020 1 79 18 18 GLU C C 175.071 0.3 1 80 18 18 GLU CA C 54.626 0.3 1 81 18 18 GLU CB C 25.945 0.3 1 82 18 18 GLU N N 121.174 0.3 1 83 19 19 GLY H H 9.141 0.020 1 84 19 19 GLY C C 171.611 0.3 1 85 19 19 GLY CA C 42.713 0.3 1 86 19 19 GLY N N 112.604 0.3 1 87 20 20 LYS H H 7.290 0.020 1 88 20 20 LYS C C 172.634 0.3 1 89 20 20 LYS CA C 51.482 0.3 1 90 20 20 LYS CB C 31.444 0.3 1 91 20 20 LYS N N 118.879 0.3 1 92 21 21 THR H H 8.771 0.020 1 93 21 21 THR C C 171.236 0.3 1 94 21 21 THR CA C 60.813 0.3 1 95 21 21 THR CB C 66.656 0.3 1 96 21 21 THR N N 119.467 0.3 1 97 22 22 LEU H H 8.525 0.020 1 98 22 22 LEU CA C 50.715 0.3 1 99 22 22 LEU N N 135.062 0.3 1 100 23 23 SER H H 9.005 0.020 1 101 23 23 SER C C 168.508 0.3 1 102 23 23 SER CA C 53.476 0.3 1 103 23 23 SER CB C 62.034 0.3 1 104 23 23 SER N N 121.380 0.3 1 105 24 24 ALA H H 7.840 0.020 1 106 24 24 ALA C C 173.315 0.3 1 107 24 24 ALA CA C 46.650 0.3 1 108 24 24 ALA CB C 16.401 0.3 1 109 24 24 ALA N N 125.482 0.3 1 110 25 25 HIS H H 8.880 0.020 1 111 25 25 HIS C C 169.992 0.3 1 112 25 25 HIS CA C 50.408 0.3 1 113 25 25 HIS CB C 27.212 0.3 1 114 25 25 HIS N N 121.341 0.3 1 115 26 26 HIS H H 8.032 0.020 1 116 26 26 HIS C C 170.486 0.3 1 117 26 26 HIS CA C 52.683 0.3 1 118 26 26 HIS CB C 22.664 0.3 1 119 26 26 HIS N N 121.574 0.3 1 120 27 27 VAL H H 9.015 0.020 1 121 27 27 VAL C C 172.838 0.3 1 122 27 27 VAL CA C 60.481 0.3 1 123 27 27 VAL CB C 28.629 0.3 1 124 27 27 VAL N N 120.277 0.3 1 125 28 28 ASP H H 7.693 0.020 1 126 28 28 ASP C C 173.724 0.3 1 127 28 28 ASP CA C 48.312 0.3 1 128 28 28 ASP CB C 40.932 0.3 1 129 28 28 ASP N N 125.139 0.3 1 130 29 29 PHE H H 8.065 0.020 1 131 29 29 PHE C C 169.003 0.3 1 132 29 29 PHE CA C 57.362 0.3 1 133 29 29 PHE CB C 40.037 0.3 1 134 29 29 PHE N N 116.495 0.3 1 135 30 30 ALA H H 5.571 0.020 1 136 30 30 ALA C C 171.355 0.3 1 137 30 30 ALA CA C 48.313 0.3 1 138 30 30 ALA CB C 19.458 0.3 1 139 30 30 ALA N N 130.146 0.3 1 140 31 31 TYR H H 7.772 0.020 1 141 31 31 TYR C C 173.401 0.3 1 142 31 31 TYR CA C 56.365 0.3 1 143 31 31 TYR CB C 35.031 0.3 1 144 31 31 TYR N N 119.361 0.3 1 145 32 32 ASP H H 8.548 0.020 1 146 32 32 ASP C C 173.077 0.3 1 147 32 32 ASP CA C 51.763 0.3 1 148 32 32 ASP CB C 38.099 0.3 1 149 32 32 ASP N N 119.712 0.3 1 150 33 33 ASP H H 8.135 0.020 1 151 33 33 ASP C C 173.384 0.3 1 152 33 33 ASP CA C 51.559 0.3 1 153 33 33 ASP CB C 37.123 0.3 1 154 33 33 ASP N N 116.825 0.3 1 155 34 34 SER H H 8.070 0.020 1 156 34 34 SER C C 171.543 0.3 1 157 34 34 SER CA C 55.905 0.3 1 158 34 34 SER CB C 62.230 0.3 1 159 34 34 SER N N 115.309 0.3 1 160 35 35 GLU H H 7.861 0.020 1 161 35 35 GLU C C 172.293 0.3 1 162 35 35 GLU CA C 52.428 0.3 1 163 35 35 GLU CB C 27.260 0.3 1 164 35 35 GLU N N 119.952 0.3 1 165 36 36 GLN H H 8.550 0.020 1 166 36 36 GLN C C 172.565 0.3 1 167 36 36 GLN CA C 54.550 0.3 1 168 36 36 GLN CB C 25.050 0.3 1 169 36 36 GLN N N 123.033 0.3 1 170 37 37 ILE H H 8.282 0.020 1 171 37 37 ILE C C 172.293 0.3 1 172 37 37 ILE CA C 56.774 0.3 1 173 37 37 ILE CB C 34.594 0.3 1 174 37 37 ILE N N 126.050 0.3 1 175 38 38 LEU H H 7.610 0.020 1 176 38 38 LEU C C 173.827 0.3 1 177 38 38 LEU CA C 50.050 0.3 1 178 38 38 LEU CB C 40.486 0.3 1 179 38 38 LEU N N 114.503 0.3 1 180 39 39 HIS H H 9.234 0.020 1 181 39 39 HIS C C 168.713 0.3 1 182 39 39 HIS CA C 50.536 0.3 1 183 39 39 HIS CB C 27.138 0.3 1 184 39 39 HIS N N 122.191 0.3 1 185 40 40 ASP H H 9.216 0.020 1 186 40 40 ASP C C 172.190 0.3 1 187 40 40 ASP CA C 51.431 0.3 1 188 40 40 ASP CB C 36.160 0.3 1 189 40 40 ASP N N 128.832 0.3 1 190 41 41 ILE H H 9.443 0.020 1 191 41 41 ILE C C 173.605 0.3 1 192 41 41 ILE CA C 56.493 0.3 1 193 41 41 ILE CB C 32.655 0.3 1 194 41 41 ILE N N 120.874 0.3 1 195 42 42 SER H H 7.401 0.020 1 196 42 42 SER C C 169.395 0.3 1 197 42 42 SER CA C 53.449 0.3 1 198 42 42 SER CB C 61.959 0.3 1 199 42 42 SER N N 121.832 0.3 1 200 43 43 PHE H H 7.625 0.020 1 201 43 43 PHE C C 169.957 0.3 1 202 43 43 PHE CA C 53.837 0.3 1 203 43 43 PHE CB C 35.479 0.3 1 204 43 43 PHE N N 115.904 0.3 1 205 44 44 GLU H H 7.834 0.020 1 206 44 44 GLU C C 170.929 0.3 1 207 44 44 GLU CA C 52.377 0.3 1 208 44 44 GLU CB C 30.024 0.3 1 209 44 44 GLU N N 118.374 0.3 1 210 45 45 ALA H H 9.368 0.020 1 211 45 45 ALA C C 172.702 0.3 1 212 45 45 ALA CA C 47.749 0.3 1 213 45 45 ALA CB C 16.848 0.3 1 214 45 45 ALA N N 127.514 0.3 1 215 46 46 GLN H H 7.987 0.020 1 216 46 46 GLN CA C 51.150 0.3 1 217 46 46 GLN CB C 23.857 0.3 1 218 46 46 GLN N N 123.028 0.3 1 219 47 47 PRO C C 174.526 0.3 1 220 47 47 PRO CA C 59.944 0.3 1 221 47 47 PRO CB C 28.156 0.3 1 222 48 48 ASN H H 8.398 0.020 1 223 48 48 ASN C C 171.014 0.3 1 224 48 48 ASN CA C 51.431 0.3 1 225 48 48 ASN CB C 33.761 0.3 1 226 48 48 ASN N N 118.429 0.3 1 227 49 49 SER H H 7.729 0.020 1 228 49 49 SER C C 168.952 0.3 1 229 49 49 SER CA C 54.703 0.3 1 230 49 49 SER CB C 63.202 0.3 1 231 49 49 SER N N 112.929 0.3 1 232 50 50 ILE H H 9.053 0.020 1 233 50 50 ILE C C 173.111 0.3 1 234 50 50 ILE CA C 57.796 0.3 1 235 50 50 ILE CB C 37.428 0.3 1 236 50 50 ILE N N 121.341 0.3 1 237 51 51 ILE H H 8.957 0.020 1 238 51 51 ILE C C 171.253 0.3 1 239 51 51 ILE CA C 55.010 0.3 1 240 51 51 ILE CB C 36.085 0.3 1 241 51 51 ILE N N 124.546 0.3 1 242 52 52 ALA H H 8.634 0.020 1 243 52 52 ALA C C 172.582 0.3 1 244 52 52 ALA CA C 45.627 0.3 1 245 52 52 ALA CB C 18.488 0.3 1 246 52 52 ALA N N 124.903 0.3 1 247 53 53 PHE H H 9.233 0.020 1 248 53 53 PHE CA C 52.811 0.3 1 249 53 53 PHE CB C 37.428 0.3 1 250 53 53 PHE N N 119.973 0.3 1 251 54 54 ALA C C 171.372 0.3 1 252 54 54 ALA CA C 46.471 0.3 1 253 54 54 ALA CB C 19.115 0.3 1 254 55 55 GLY H H 7.268 0.020 1 255 55 55 GLY CA C 41.403 0.3 1 256 55 55 GLY N N 104.978 0.3 1 257 56 56 PRO C C 174.662 0.3 1 258 56 56 PRO CA C 59.305 0.3 1 259 56 56 PRO CB C 28.927 0.3 1 260 57 57 SER H H 8.645 0.020 1 261 57 57 SER C C 172.753 0.3 1 262 57 57 SER CA C 56.748 0.3 1 263 57 57 SER CB C 60.095 0.3 1 264 57 57 SER N N 118.141 0.3 1 265 58 58 GLY H H 11.240 0.020 1 266 58 58 GLY C C 172.480 0.3 1 267 58 58 GLY CA C 42.274 0.3 1 268 58 58 GLY N N 117.676 0.3 1 269 59 59 GLY H H 8.099 0.020 1 270 59 59 GLY C C 169.787 0.3 1 271 59 59 GLY CA C 43.437 0.3 1 272 59 59 GLY N N 110.258 0.3 1 273 60 60 GLY H H 8.420 0.020 1 274 60 60 GLY CA C 41.471 0.3 1 275 60 60 GLY N N 105.920 0.3 1 276 61 61 LYS H H 9.460 0.020 1 277 61 61 LYS CA C 57.619 0.3 1 278 61 61 LYS CB C 24.826 0.3 1 279 61 61 LYS N N 123.861 0.3 1 280 62 62 SER H H 10.210 0.020 1 281 62 62 SER C C 175.463 0.3 1 282 62 62 SER CA C 59.535 0.3 1 283 62 62 SER N N 117.923 0.3 1 284 63 63 THR H H 8.209 0.020 1 285 63 63 THR C C 173.247 0.3 1 286 63 63 THR CA C 64.597 0.3 1 287 63 63 THR N N 121.737 0.3 1 288 64 64 ILE H H 7.710 0.020 1 289 64 64 ILE C C 175.429 0.3 1 290 64 64 ILE CA C 63.779 0.3 1 291 64 64 ILE CB C 33.013 0.3 1 292 64 64 ILE N N 122.551 0.3 1 293 65 65 PHE H H 7.186 0.020 1 294 65 65 PHE C C 175.378 0.3 1 295 65 65 PHE CA C 55.623 0.3 1 296 65 65 PHE CB C 32.117 0.3 1 297 65 65 PHE N N 118.966 0.3 1 298 66 66 SER H H 8.135 0.020 1 299 66 66 SER CA C 59.507 0.3 1 300 66 66 SER N N 117.330 0.3 1 301 67 67 LEU C C 178.787 0.3 1 302 67 67 LEU CA C 52.713 0.3 1 303 67 67 LEU CB C 38.471 0.3 1 304 68 68 LEU H H 8.043 0.020 1 305 68 68 LEU C C 175.446 0.3 1 306 68 68 LEU CA C 54.703 0.3 1 307 68 68 LEU CB C 37.353 0.3 1 308 68 68 LEU N N 122.425 0.3 1 309 69 69 GLU H H 7.971 0.020 1 310 69 69 GLU C C 172.412 0.3 1 311 69 69 GLU CA C 54.499 0.3 1 312 69 69 GLU CB C 26.512 0.3 1 313 69 69 GLU N N 114.925 0.3 1 314 70 70 ARG H H 7.710 0.020 1 315 70 70 ARG C C 172.906 0.3 1 316 70 70 ARG CA C 54.575 0.3 1 317 70 70 ARG CB C 22.477 0.3 1 318 70 70 ARG N N 111.892 0.3 1 319 71 71 PHE H H 7.883 0.020 1 320 71 71 PHE C C 172.378 0.3 1 321 71 71 PHE CA C 56.723 0.3 1 322 71 71 PHE CB C 35.554 0.3 1 323 71 71 PHE N N 116.825 0.3 1 324 72 72 TYR H H 6.775 0.020 1 325 72 72 TYR C C 171.185 0.3 1 326 72 72 TYR CA C 51.737 0.3 1 327 72 72 TYR CB C 39.963 0.3 1 328 72 72 TYR N N 112.030 0.3 1 329 73 73 GLN H H 8.685 0.020 1 330 73 73 GLN CA C 49.846 0.3 1 331 73 73 GLN CB C 26.765 0.3 1 332 73 73 GLN N N 119.643 0.3 1 333 74 74 PRO C C 174.014 0.3 1 334 74 74 PRO CA C 60.498 0.3 1 335 74 74 PRO CB C 29.427 0.3 1 336 75 75 THR H H 8.688 0.020 1 337 75 75 THR C C 172.548 0.3 1 338 75 75 THR CA C 60.430 0.3 1 339 75 75 THR CB C 64.995 0.3 1 340 75 75 THR N N 116.231 0.3 1 341 76 76 ALA H H 7.731 0.020 1 342 76 76 ALA C C 173.367 0.3 1 343 76 76 ALA CA C 48.772 0.3 1 344 76 76 ALA CB C 18.667 0.3 1 345 76 76 ALA N N 121.607 0.3 1 346 77 77 GLY H H 8.205 0.020 1 347 77 77 GLY C C 170.759 0.3 1 348 77 77 GLY CA C 41.710 0.3 1 349 77 77 GLY N N 106.078 0.3 1 350 78 78 GLU H H 7.632 0.020 1 351 78 78 GLU C C 170.946 0.3 1 352 78 78 GLU CA C 51.916 0.3 1 353 78 78 GLU CB C 30.174 0.3 1 354 78 78 GLU N N 113.908 0.3 1 355 79 79 ILE H H 8.740 0.020 1 356 79 79 ILE C C 172.753 0.3 1 357 79 79 ILE CA C 57.106 0.3 1 358 79 79 ILE CB C 35.265 0.3 1 359 79 79 ILE N N 124.276 0.3 1 360 80 80 THR H H 9.518 0.020 1 361 80 80 THR C C 170.162 0.3 1 362 80 80 THR CA C 56.032 0.3 1 363 80 80 THR CB C 69.863 0.3 1 364 80 80 THR N N 117.142 0.3 1 365 81 81 ILE H H 9.405 0.020 1 366 81 81 ILE C C 173.401 0.3 1 367 81 81 ILE CA C 51.891 0.3 1 368 81 81 ILE CB C 38.546 0.3 1 369 81 81 ILE N N 118.053 0.3 1 370 82 82 GLY H H 9.288 0.020 1 371 82 82 GLY C C 172.634 0.3 1 372 82 82 GLY CA C 44.119 0.3 1 373 82 82 GLY N N 118.567 0.3 1 374 83 83 GLY H H 8.482 0.020 1 375 83 83 GLY C C 170.196 0.3 1 376 83 83 GLY CA C 41.530 0.3 1 377 83 83 GLY N N 104.308 0.3 1 378 84 84 GLN H H 7.603 0.020 1 379 84 84 GLN CA C 48.976 0.3 1 380 84 84 GLN CB C 26.168 0.3 1 381 84 84 GLN N N 120.790 0.3 1 382 85 85 PRO C C 177.116 0.3 1 383 85 85 PRO CA C 60.148 0.3 1 384 85 85 PRO CB C 28.554 0.3 1 385 86 86 ILE H H 8.478 0.020 1 386 86 86 ILE C C 173.452 0.3 1 387 86 86 ILE CA C 62.321 0.3 1 388 86 86 ILE CB C 33.028 0.3 1 389 86 86 ILE N N 122.615 0.3 1 390 87 87 ASP H H 8.191 0.020 1 391 87 87 ASP C C 173.878 0.3 1 392 87 87 ASP CA C 51.681 0.3 1 393 87 87 ASP CB C 36.675 0.3 1 394 87 87 ASP N N 117.539 0.3 1 395 88 88 SER H H 7.669 0.020 1 396 88 88 SER C C 171.014 0.3 1 397 88 88 SER CA C 56.263 0.3 1 398 88 88 SER CB C 61.035 0.3 1 399 88 88 SER N N 113.034 0.3 1 400 89 89 VAL H H 7.138 0.020 1 401 89 89 VAL C C 173.827 0.3 1 402 89 89 VAL CA C 57.336 0.3 1 403 89 89 VAL CB C 29.375 0.3 1 404 89 89 VAL N N 123.247 0.3 1 405 90 90 SER H H 9.037 0.020 1 406 90 90 SER C C 173.026 0.3 1 407 90 90 SER CA C 55.547 0.3 1 408 90 90 SER CB C 60.169 0.3 1 409 90 90 SER N N 125.141 0.3 1 410 91 91 LEU H H 8.894 0.020 1 411 91 91 LEU C C 176.111 0.3 1 412 91 91 LEU CA C 55.470 0.3 1 413 91 91 LEU CB C 38.471 0.3 1 414 91 91 LEU N N 128.403 0.3 1 415 92 92 GLU H H 8.740 0.020 1 416 92 92 GLU C C 176.707 0.3 1 417 92 92 GLU CA C 56.493 0.3 1 418 92 92 GLU CB C 25.242 0.3 1 419 92 92 GLU N N 116.825 0.3 1 420 93 93 ASN H H 7.622 0.020 1 421 93 93 ASN C C 175.565 0.3 1 422 93 93 ASN CA C 53.399 0.3 1 423 93 93 ASN CB C 36.682 0.3 1 424 93 93 ASN N N 119.954 0.3 1 425 94 94 TRP H H 8.713 0.020 1 426 94 94 TRP C C 174.117 0.3 1 427 94 94 TRP CA C 57.157 0.3 1 428 94 94 TRP CB C 27.138 0.3 1 429 94 94 TRP N N 122.205 0.3 1 430 95 95 ARG H H 8.660 0.020 1 431 95 95 ARG C C 175.906 0.3 1 432 95 95 ARG CA C 56.441 0.3 1 433 95 95 ARG CB C 25.691 0.3 1 434 95 95 ARG N N 114.321 0.3 1 435 96 96 SER H H 7.624 0.020 1 436 96 96 SER C C 172.293 0.3 1 437 96 96 SER CA C 57.694 0.3 1 438 96 96 SER CB C 60.213 0.3 1 439 96 96 SER N N 111.815 0.3 1 440 97 97 GLN H H 7.226 0.020 1 441 97 97 GLN C C 171.440 0.3 1 442 97 97 GLN CA C 53.092 0.3 1 443 97 97 GLN CB C 29.576 0.3 1 444 97 97 GLN N N 118.476 0.3 1 445 98 98 ILE H H 7.041 0.020 1 446 98 98 ILE C C 172.651 0.3 1 447 98 98 ILE CA C 55.598 0.3 1 448 98 98 ILE CB C 36.824 0.3 1 449 98 98 ILE N N 115.952 0.3 1 450 99 99 GLY H H 8.094 0.020 1 451 99 99 GLY C C 167.418 0.3 1 452 99 99 GLY CA C 41.997 0.3 1 453 99 99 GLY N N 108.398 0.3 1 454 100 100 PHE H H 8.450 0.020 1 455 100 100 PHE C C 172.429 0.3 1 456 100 100 PHE CA C 51.994 0.3 1 457 100 100 PHE CB C 37.502 0.3 1 458 100 100 PHE N N 124.416 0.3 1 459 101 101 VAL H H 8.329 0.020 1 460 101 101 VAL C C 170.111 0.3 1 461 101 101 VAL CA C 58.308 0.3 1 462 101 101 VAL CB C 30.120 0.3 1 463 101 101 VAL N N 129.131 0.3 1 464 102 102 SER H H 7.917 0.020 1 465 102 102 SER C C 171.884 0.3 1 466 102 102 SER CA C 53.323 0.3 1 467 102 102 SER CB C 61.931 0.3 1 468 102 102 SER N N 120.275 0.3 1 469 103 103 GLN H H 8.848 0.020 1 470 103 103 GLN C C 173.230 0.3 1 471 103 103 GLN CA C 54.729 0.3 1 472 103 103 GLN CB C 25.199 0.3 1 473 103 103 GLN N N 121.237 0.3 1 474 104 104 ASP H H 8.070 0.020 1 475 104 104 ASP C C 173.247 0.3 1 476 104 104 ASP CA C 50.766 0.3 1 477 104 104 ASP CB C 37.870 0.3 1 478 104 104 ASP N N 118.964 0.3 1 479 105 105 SER H H 7.736 0.020 1 480 105 105 SER C C 171.236 0.3 1 481 105 105 SER CA C 56.058 0.3 1 482 105 105 SER CB C 60.661 0.3 1 483 105 105 SER N N 117.180 0.3 1 484 106 106 ALA H H 8.155 0.020 1 485 106 106 ALA C C 174.696 0.3 1 486 106 106 ALA CA C 49.309 0.3 1 487 106 106 ALA CB C 15.879 0.3 1 488 106 106 ALA N N 126.061 0.3 1 489 107 107 ILE H H 7.938 0.020 1 490 107 107 ILE C C 172.531 0.3 1 491 107 107 ILE CA C 56.493 0.3 1 492 107 107 ILE CB C 34.956 0.3 1 493 107 107 ILE N N 119.381 0.3 1 494 108 108 MET H H 8.546 0.020 1 495 108 108 MET C C 172.361 0.3 1 496 108 108 MET CA C 51.047 0.3 1 497 108 108 MET CB C 30.419 0.3 1 498 108 108 MET N N 125.563 0.3 1 499 109 109 ALA H H 8.117 0.020 1 500 109 109 ALA C C 173.980 0.3 1 501 109 109 ALA CA C 49.130 0.3 1 502 109 109 ALA CB C 15.282 0.3 1 503 109 109 ALA N N 124.463 0.3 1 504 110 110 GLY H H 7.950 0.020 1 505 110 110 GLY C C 170.418 0.3 1 506 110 110 GLY CA C 41.266 0.3 1 507 110 110 GLY N N 112.036 0.3 1 508 111 111 THR H H 8.726 0.020 1 509 111 111 THR C C 175.565 0.3 1 510 111 111 THR CA C 57.694 0.3 1 511 111 111 THR CB C 69.030 0.3 1 512 111 111 THR N N 109.931 0.3 1 513 112 112 ILE H H 7.734 0.020 1 514 112 112 ILE C C 174.935 0.3 1 515 112 112 ILE CA C 61.682 0.3 1 516 112 112 ILE CB C 31.743 0.3 1 517 112 112 ILE N N 122.441 0.3 1 518 113 113 ARG H H 8.196 0.020 1 519 113 113 ARG C C 175.651 0.3 1 520 113 113 ARG CA C 57.055 0.3 1 521 113 113 ARG CB C 26.064 0.3 1 522 113 113 ARG N N 118.874 0.3 1 523 114 114 GLU H H 8.000 0.020 1 524 114 114 GLU C C 175.787 0.3 1 525 114 114 GLU CA C 56.084 0.3 1 526 114 114 GLU CB C 25.840 0.3 1 527 114 114 GLU N N 120.588 0.3 1 528 115 115 ASN H H 8.132 0.020 1 529 115 115 ASN C C 174.389 0.3 1 530 115 115 ASN CA C 54.176 0.3 1 531 115 115 ASN CB C 36.675 0.3 1 532 115 115 ASN N N 116.832 0.3 1 533 116 116 LEU H H 7.930 0.020 1 534 116 116 LEU C C 173.469 0.3 1 535 116 116 LEU CA C 54.550 0.3 1 536 116 116 LEU CB C 39.365 0.3 1 537 116 116 LEU N N 117.484 0.3 1 538 117 117 THR H H 7.200 0.020 1 539 117 117 THR C C 172.855 0.3 1 540 117 117 THR CA C 58.359 0.3 1 541 117 117 THR CB C 67.162 0.3 1 542 117 117 THR N N 100.734 0.3 1 543 118 118 TYR H H 7.509 0.020 1 544 118 118 TYR C C 174.457 0.3 1 545 118 118 TYR CA C 57.055 0.3 1 546 118 118 TYR CB C 34.370 0.3 1 547 118 118 TYR N N 124.525 0.3 1 548 119 119 GLY H H 8.574 0.020 1 549 119 119 GLY C C 171.151 0.3 1 550 119 119 GLY CA C 42.227 0.3 1 551 119 119 GLY N N 114.583 0.3 1 552 120 120 LEU H H 7.703 0.020 1 553 120 120 LEU C C 174.406 0.3 1 554 120 120 LEU CA C 50.894 0.3 1 555 120 120 LEU CB C 38.692 0.3 1 556 120 120 LEU N N 120.588 0.3 1 557 121 121 GLU H H 8.590 0.020 1 558 121 121 GLU C C 173.520 0.3 1 559 121 121 GLU CA C 52.888 0.3 1 560 121 121 GLU CB C 26.914 0.3 1 561 121 121 GLU N N 122.666 0.3 1 562 122 122 GLY H H 8.008 0.020 1 563 122 122 GLY C C 169.020 0.3 1 564 122 122 GLY CA C 40.925 0.3 1 565 122 122 GLY N N 109.236 0.3 1 566 123 123 ASN H H 7.788 0.020 1 567 123 123 ASN C C 171.099 0.3 1 568 123 123 ASN CA C 49.002 0.3 1 569 123 123 ASN CB C 36.525 0.3 1 570 123 123 ASN N N 117.803 0.3 1 571 124 124 PHE H H 8.465 0.020 1 572 124 124 PHE C C 174.338 0.3 1 573 124 124 PHE CA C 54.038 0.3 1 574 124 124 PHE CB C 37.353 0.3 1 575 124 124 PHE N N 121.983 0.3 1 576 125 125 THR H H 9.509 0.020 1 577 125 125 THR C C 172.787 0.3 1 578 125 125 THR CA C 57.438 0.3 1 579 125 125 THR CB C 68.148 0.3 1 580 125 125 THR N N 118.589 0.3 1 581 126 126 ASP H H 8.998 0.020 1 582 126 126 ASP C C 174.781 0.3 1 583 126 126 ASP CA C 54.754 0.3 1 584 126 126 ASP CB C 35.340 0.3 1 585 126 126 ASP N N 121.198 0.3 1 586 127 127 GLU H H 8.290 0.020 1 587 127 127 GLU C C 177.185 0.3 1 588 127 127 GLU CA C 57.413 0.3 1 589 127 127 GLU CB C 25.317 0.3 1 590 127 127 GLU N N 118.165 0.3 1 591 128 128 ASP H H 7.716 0.020 1 592 128 128 ASP C C 175.872 0.3 1 593 128 128 ASP CA C 54.115 0.3 1 594 128 128 ASP CB C 37.945 0.3 1 595 128 128 ASP N N 120.871 0.3 1 596 129 129 LEU H H 7.364 0.020 1 597 129 129 LEU C C 176.026 0.3 1 598 129 129 LEU CA C 53.501 0.3 1 599 129 129 LEU CB C 35.629 0.3 1 600 129 129 LEU N N 118.294 0.3 1 601 130 130 TRP H H 8.916 0.020 1 602 130 130 TRP C C 176.043 0.3 1 603 130 130 TRP CA C 57.336 0.3 1 604 130 130 TRP CB C 25.870 0.3 1 605 130 130 TRP N N 119.797 0.3 1 606 131 131 GLN H H 7.833 0.020 1 607 131 131 GLN C C 176.759 0.3 1 608 131 131 GLN CA C 56.109 0.3 1 609 131 131 GLN CB C 24.570 0.3 1 610 131 131 GLN N N 116.056 0.3 1 611 132 132 VAL H H 7.144 0.020 1 612 132 132 VAL C C 175.412 0.3 1 613 132 132 VAL CA C 62.117 0.3 1 614 132 132 VAL CB C 26.737 0.3 1 615 132 132 VAL N N 111.892 0.3 1 616 133 133 LEU H H 7.937 0.020 1 617 133 133 LEU C C 176.844 0.3 1 618 133 133 LEU CA C 54.933 0.3 1 619 133 133 LEU CB C 36.376 0.3 1 620 133 133 LEU N N 121.448 0.3 1 621 134 134 ASP H H 8.176 0.020 1 622 134 134 ASP C C 177.662 0.3 1 623 134 134 ASP CA C 54.074 0.3 1 624 134 134 ASP CB C 37.726 0.3 1 625 134 134 ASP N N 121.495 0.3 1 626 135 135 LEU H H 7.213 0.020 1 627 135 135 LEU C C 173.486 0.3 1 628 135 135 LEU CA C 53.885 0.3 1 629 135 135 LEU CB C 36.906 0.3 1 630 135 135 LEU N N 120.889 0.3 1 631 136 136 ALA H H 6.922 0.020 1 632 136 136 ALA C C 171.901 0.3 1 633 136 136 ALA CA C 47.494 0.3 1 634 136 136 ALA CB C 16.724 0.3 1 635 136 136 ALA N N 115.731 0.3 1 636 137 137 PHE H H 7.423 0.020 1 637 137 137 PHE C C 174.151 0.3 1 638 137 137 PHE CA C 56.595 0.3 1 639 137 137 PHE CB C 31.967 0.3 1 640 137 137 PHE N N 111.940 0.3 1 641 138 138 ALA H H 8.842 0.020 1 642 138 138 ALA C C 172.429 0.3 1 643 138 138 ALA CA C 47.264 0.3 1 644 138 138 ALA CB C 18.861 0.3 1 645 138 138 ALA N N 118.902 0.3 1 646 139 139 ARG H H 7.182 0.020 1 647 139 139 ARG C C 174.986 0.3 1 648 139 139 ARG CA C 57.260 0.3 1 649 139 139 ARG CB C 26.541 0.3 1 650 139 139 ARG N N 119.938 0.3 1 651 140 140 SER H H 8.410 0.020 1 652 140 140 SER C C 174.304 0.3 1 653 140 140 SER CA C 58.487 0.3 1 654 140 140 SER N N 112.552 0.3 1 655 141 141 PHE H H 7.632 0.020 1 656 141 141 PHE C C 174.969 0.3 1 657 141 141 PHE CA C 56.186 0.3 1 658 141 141 PHE CB C 33.761 0.3 1 659 141 141 PHE N N 117.440 0.3 1 660 142 142 VAL H H 6.820 0.020 1 661 142 142 VAL C C 176.060 0.3 1 662 142 142 VAL CA C 62.782 0.3 1 663 142 142 VAL CB C 27.660 0.3 1 664 142 142 VAL N N 123.901 0.3 1 665 143 143 GLU H H 8.801 0.020 1 666 143 143 GLU C C 174.730 0.3 1 667 143 143 GLU CA C 56.186 0.3 1 668 143 143 GLU CB C 25.870 0.3 1 669 143 143 GLU N N 120.130 0.3 1 670 144 144 ASN H H 7.087 0.020 1 671 144 144 ASN C C 172.957 0.3 1 672 144 144 ASN CA C 50.357 0.3 1 673 144 144 ASN CB C 36.376 0.3 1 674 144 144 ASN N N 112.794 0.3 1 675 145 145 MET H H 7.548 0.020 1 676 145 145 MET CA C 51.993 0.3 1 677 145 145 MET CB C 28.405 0.3 1 678 145 145 MET N N 123.088 0.3 1 679 146 146 PRO C C 177.372 0.3 1 680 146 146 PRO CA C 62.647 0.3 1 681 146 146 PRO CB C 23.822 0.3 1 682 147 147 ASP H H 7.440 0.020 1 683 147 147 ASP C C 173.452 0.3 1 684 147 147 ASP CA C 49.820 0.3 1 685 147 147 ASP CB C 38.618 0.3 1 686 147 147 ASP N N 112.813 0.3 1 687 148 148 GLN H H 7.695 0.020 1 688 148 148 GLN C C 175.497 0.3 1 689 148 148 GLN CA C 55.163 0.3 1 690 148 148 GLN CB C 23.449 0.3 1 691 148 148 GLN N N 115.635 0.3 1 692 149 149 LEU H H 8.167 0.020 1 693 149 149 LEU C C 173.213 0.3 1 694 149 149 LEU CA C 54.474 0.3 1 695 149 149 LEU CB C 38.546 0.3 1 696 149 149 LEU N N 122.346 0.3 1 697 150 150 ASN H H 7.951 0.020 1 698 150 150 ASN C C 171.099 0.3 1 699 150 150 ASN CA C 49.258 0.3 1 700 150 150 ASN CB C 35.180 0.3 1 701 150 150 ASN N N 113.236 0.3 1 702 151 151 THR H H 7.259 0.020 1 703 151 151 THR C C 171.048 0.3 1 704 151 151 THR CA C 61.554 0.3 1 705 151 151 THR CB C 66.564 0.3 1 706 151 151 THR N N 118.246 0.3 1 707 152 152 GLU H H 8.604 0.020 1 708 152 152 GLU C C 173.026 0.3 1 709 152 152 GLU CA C 53.399 0.3 1 710 152 152 GLU CB C 25.870 0.3 1 711 152 152 GLU N N 128.189 0.3 1 712 153 153 VAL H H 8.498 0.020 1 713 153 153 VAL C C 173.298 0.3 1 714 153 153 VAL CA C 56.903 0.3 1 715 153 153 VAL N N 120.839 0.3 1 716 154 154 GLY H H 8.294 0.020 1 717 154 154 GLY C C 172.634 0.3 1 718 154 154 GLY CA C 40.959 0.3 1 719 154 154 GLY N N 108.699 0.3 1 720 155 155 GLU H H 8.475 0.020 1 721 155 155 GLU C C 173.367 0.3 1 722 155 155 GLU CA C 56.153 0.3 1 723 155 155 GLU CB C 26.243 0.3 1 724 155 155 GLU N N 121.334 0.3 1 725 156 156 ARG H H 8.475 0.020 1 726 156 156 ARG C C 173.367 0.3 1 727 156 156 ARG CA C 52.506 0.3 1 728 156 156 ARG CB C 25.945 0.3 1 729 156 156 ARG N N 117.298 0.3 1 730 157 157 GLY H H 7.533 0.020 1 731 157 157 GLY CA C 41.676 0.3 1 732 157 157 GLY N N 109.102 0.3 1 733 159 159 LYS H H 8.282 0.020 1 734 159 159 LYS N N 126.004 0.3 1 735 160 160 ILE C C 172.855 0.3 1 736 160 160 ILE CA C 56.296 0.3 1 737 160 160 ILE CB C 38.617 0.3 1 738 161 161 SER H H 8.369 0.020 1 739 161 161 SER C C 173.077 0.3 1 740 161 161 SER CA C 54.076 0.3 1 741 161 161 SER CB C 62.380 0.3 1 742 161 161 SER N N 119.824 0.3 1 743 162 162 GLY H H 9.075 0.020 1 744 162 162 GLY C C 173.997 0.3 1 745 162 162 GLY CA C 44.682 0.3 1 746 162 162 GLY N N 109.498 0.3 1 747 163 163 GLY H H 8.850 0.020 1 748 163 163 GLY C C 175.156 0.3 1 749 163 163 GLY CA C 43.736 0.3 1 750 163 163 GLY N N 109.551 0.3 1 751 164 164 GLN H H 7.393 0.020 1 752 164 164 GLN C C 175.037 0.3 1 753 164 164 GLN CA C 55.802 0.3 1 754 164 164 GLN CB C 24.454 0.3 1 755 164 164 GLN N N 123.672 0.3 1 756 165 165 ARG H H 8.573 0.020 1 757 165 165 ARG C C 176.401 0.3 1 758 165 165 ARG CA C 57.413 0.3 1 759 165 165 ARG CB C 26.318 0.3 1 760 165 165 ARG N N 120.378 0.3 1 761 166 166 GLN H H 8.317 0.020 1 762 166 166 GLN C C 176.384 0.3 1 763 166 166 GLN CA C 55.832 0.3 1 764 166 166 GLN CB C 25.242 0.3 1 765 166 166 GLN N N 117.726 0.3 1 766 167 167 ARG H H 7.319 0.020 1 767 167 167 ARG C C 175.497 0.3 1 768 167 167 ARG CA C 57.669 0.3 1 769 167 167 ARG CB C 26.886 0.3 1 770 167 167 ARG N N 116.566 0.3 1 771 168 168 LEU H H 8.076 0.020 1 772 168 168 LEU C C 175.923 0.3 1 773 168 168 LEU CA C 54.959 0.3 1 774 168 168 LEU CB C 37.273 0.3 1 775 168 168 LEU N N 119.724 0.3 1 776 169 169 ALA H H 7.820 0.020 1 777 169 169 ALA CA C 51.865 0.3 1 778 169 169 ALA CB C 14.258 0.3 1 779 169 169 ALA N N 121.984 0.3 1 780 170 170 ILE C C 173.997 0.3 1 781 170 170 ILE CA C 62.194 0.3 1 782 170 170 ILE CB C 34.669 0.3 1 783 171 171 ALA H H 8.287 0.020 1 784 171 171 ALA C C 175.889 0.3 1 785 171 171 ALA CA C 52.632 0.3 1 786 171 171 ALA CB C 14.835 0.3 1 787 171 171 ALA N N 123.727 0.3 1 788 172 172 ARG H H 7.822 0.020 1 789 172 172 ARG C C 174.764 0.3 1 790 172 172 ARG CA C 55.956 0.3 1 791 172 172 ARG CB C 26.214 0.3 1 792 172 172 ARG N N 117.506 0.3 1 793 173 173 ALA H H 7.614 0.020 1 794 173 173 ALA C C 177.236 0.3 1 795 173 173 ALA CA C 52.249 0.3 1 796 173 173 ALA CB C 14.313 0.3 1 797 173 173 ALA N N 122.321 0.3 1 798 174 174 PHE H H 8.337 0.020 1 799 174 174 PHE CA C 60.072 0.3 1 800 174 174 PHE CB C 35.554 0.3 1 801 174 174 PHE N N 116.616 0.3 1 802 175 175 LEU C C 175.855 0.3 1 803 175 175 LEU CA C 54.076 0.3 1 804 176 176 ARG H H 8.078 0.020 1 805 176 176 ARG C C 174.151 0.3 1 806 176 176 ARG CA C 55.408 0.3 1 807 176 176 ARG CB C 27.110 0.3 1 808 176 176 ARG N N 117.836 0.3 1 809 177 177 ASN H H 8.107 0.020 1 810 177 177 ASN CA C 49.999 0.3 1 811 177 177 ASN CB C 33.611 0.3 1 812 177 177 ASN N N 114.243 0.3 1 813 178 178 PRO C C 174.014 0.3 1 814 178 178 PRO CA C 59.560 0.3 1 815 179 179 LYS H H 8.100 0.020 1 816 179 179 LYS C C 174.440 0.3 1 817 179 179 LYS CA C 53.911 0.3 1 818 179 179 LYS CB C 29.524 0.3 1 819 179 179 LYS N N 121.033 0.3 1 820 180 180 ILE H H 7.090 0.020 1 821 180 180 ILE C C 170.707 0.3 1 822 180 180 ILE CA C 56.825 0.3 1 823 180 180 ILE CB C 36.002 0.3 1 824 180 180 ILE N N 117.334 0.3 1 825 181 181 LEU H H 9.006 0.020 1 826 181 181 LEU CA C 49.207 0.3 1 827 181 181 LEU CB C 41.454 0.3 1 828 181 181 LEU N N 129.506 0.3 1 829 182 182 MET H H 8.675 0.020 1 830 182 182 MET C C 171.134 0.3 1 831 182 182 MET CA C 50.862 0.3 1 832 182 182 MET CB C 31.220 0.3 1 833 182 182 MET N N 125.871 0.3 1 834 183 183 LEU H H 8.967 0.020 1 835 183 183 LEU C C 171.764 0.3 1 836 183 183 LEU CA C 50.050 0.3 1 837 183 183 LEU CB C 42.572 0.3 1 838 183 183 LEU N N 123.785 0.3 1 839 184 184 ASP H H 8.364 0.020 1 840 184 184 ASP C C 173.878 0.3 1 841 184 184 ASP CA C 49.948 0.3 1 842 184 184 ASP CB C 38.770 0.3 1 843 184 184 ASP N N 124.984 0.3 1 844 185 185 GLU H H 7.815 0.020 1 845 185 185 GLU C C 172.548 0.3 1 846 185 185 GLU CA C 53.962 0.3 1 847 185 185 GLU CB C 27.287 0.3 1 848 185 185 GLU N N 122.896 0.3 1 849 186 186 ALA H H 8.058 0.020 1 850 186 186 ALA C C 175.105 0.3 1 851 186 186 ALA CA C 49.718 0.3 1 852 186 186 ALA CB C 15.580 0.3 1 853 186 186 ALA N N 124.671 0.3 1 854 187 187 THR H H 7.950 0.020 1 855 187 187 THR C C 171.832 0.3 1 856 187 187 THR CA C 58.308 0.3 1 857 187 187 THR CB C 66.564 0.3 1 858 187 187 THR N N 111.758 0.3 1 859 188 188 ALA H H 7.868 0.020 1 860 188 188 ALA C C 174.730 0.3 1 861 188 188 ALA CA C 49.411 0.3 1 862 188 188 ALA CB C 15.879 0.3 1 863 188 188 ALA N N 125.250 0.3 1 864 189 189 SER H H 8.243 0.020 1 865 189 189 SER C C 171.781 0.3 1 866 189 189 SER CA C 55.189 0.3 1 867 189 189 SER CB C 60.586 0.3 1 868 189 189 SER N N 115.098 0.3 1 869 190 190 LEU H H 8.259 0.020 1 870 190 190 LEU C C 174.168 0.3 1 871 190 190 LEU CA C 51.405 0.3 1 872 190 190 LEU CB C 39.292 0.3 1 873 190 190 LEU N N 123.389 0.3 1 874 191 191 ASP H H 7.910 0.020 1 875 191 191 ASP C C 175.075 0.3 1 876 191 191 ASP CA C 50.485 0.3 1 877 191 191 ASP CB C 37.721 0.3 1 878 191 191 ASP N N 118.974 0.3 1 879 192 192 SER H H 8.469 0.020 1 880 192 192 SER C C 173.793 0.3 1 881 192 192 SER CA C 58.052 0.3 1 882 192 192 SER CB C 59.778 0.3 1 883 192 192 SER N N 117.209 0.3 1 884 193 193 GLU H H 8.326 0.020 1 885 193 193 GLU C C 175.889 0.3 1 886 193 193 GLU CA C 55.879 0.3 1 887 193 193 GLU CB C 25.796 0.3 1 888 193 193 GLU N N 122.842 0.3 1 889 194 194 SER H H 8.092 0.020 1 890 194 194 SER C C 173.043 0.3 1 891 194 194 SER CA C 58.052 0.3 1 892 194 194 SER CB C 59.988 0.3 1 893 194 194 SER N N 116.176 0.3 1 894 195 195 GLU H H 8.343 0.020 1 895 195 195 GLU C C 175.190 0.3 1 896 195 195 GLU CA C 56.109 0.3 1 897 195 195 GLU CB C 25.796 0.3 1 898 195 195 GLU N N 122.025 0.3 1 899 196 196 SER H H 7.954 0.020 1 900 196 196 SER C C 174.236 0.3 1 901 196 196 SER CA C 58.026 0.3 1 902 196 196 SER CB C 59.540 0.3 1 903 196 196 SER N N 114.205 0.3 1 904 197 197 MET H H 7.636 0.020 1 905 197 197 MET C C 175.190 0.3 1 906 197 197 MET CA C 55.214 0.3 1 907 197 197 MET CB C 29.002 0.3 1 908 197 197 MET N N 119.938 0.3 1 909 198 198 VAL H H 8.149 0.020 1 910 198 198 VAL C C 174.679 0.3 1 911 198 198 VAL CA C 63.983 0.3 1 912 198 198 VAL CB C 27.633 0.3 1 913 198 198 VAL N N 119.530 0.3 1 914 199 199 GLN H H 8.040 0.020 1 915 199 199 GLN C C 175.327 0.3 1 916 199 199 GLN CA C 56.216 0.3 1 917 199 199 GLN CB C 24.196 0.3 1 918 199 199 GLN N N 117.956 0.3 1 919 200 200 ARG H H 7.475 0.020 1 920 200 200 ARG C C 176.929 0.3 1 921 200 200 ARG CA C 56.084 0.3 1 922 200 200 ARG CB C 26.214 0.3 1 923 200 200 ARG N N 117.718 0.3 1 924 201 201 ALA H H 7.992 0.020 1 925 201 201 ALA C C 176.776 0.3 1 926 201 201 ALA CA C 52.249 0.3 1 927 201 201 ALA CB C 15.580 0.3 1 928 201 201 ALA N N 123.608 0.3 1 929 202 202 LEU H H 8.684 0.020 1 930 202 202 LEU C C 176.043 0.3 1 931 202 202 LEU CA C 54.754 0.3 1 932 202 202 LEU CB C 38.248 0.3 1 933 202 202 LEU N N 119.088 0.3 1 934 203 203 ASP H H 8.311 0.020 1 935 203 203 ASP C C 176.554 0.3 1 936 203 203 ASP CA C 54.575 0.3 1 937 203 203 ASP CB C 36.899 0.3 1 938 203 203 ASP N N 119.396 0.3 1 939 204 204 SER H H 7.586 0.020 1 940 204 204 SER C C 174.679 0.3 1 941 204 204 SER CA C 57.822 0.3 1 942 204 204 SER CB C 60.362 0.3 1 943 204 204 SER N N 113.265 0.3 1 944 205 205 LEU H H 8.399 0.020 1 945 205 205 LEU C C 173.656 0.3 1 946 205 205 LEU CA C 54.115 0.3 1 947 205 205 LEU CB C 37.278 0.3 1 948 205 205 LEU N N 124.961 0.3 1 949 206 206 MET H H 7.854 0.020 1 950 206 206 MET C C 174.355 0.3 1 951 206 206 MET CA C 55.317 0.3 1 952 206 206 MET CB C 30.846 0.3 1 953 206 206 MET N N 113.293 0.3 1 954 207 207 LYS H H 6.811 0.020 1 955 207 207 LYS C C 174.815 0.3 1 956 207 207 LYS CA C 54.013 0.3 1 957 207 207 LYS CB C 28.904 0.3 1 958 207 207 LYS N N 116.518 0.3 1 959 208 208 GLY H H 8.567 0.020 1 960 208 208 GLY C C 171.151 0.3 1 961 208 208 GLY CA C 42.892 0.3 1 962 208 208 GLY N N 110.678 0.3 1 963 209 209 ARG H H 7.475 0.020 1 964 209 209 ARG C C 172.599 0.3 1 965 209 209 ARG CA C 51.138 0.3 1 966 209 209 ARG CB C 28.455 0.3 1 967 209 209 ARG N N 117.123 0.3 1 968 210 210 THR H H 7.818 0.020 1 969 210 210 THR C C 170.571 0.3 1 970 210 210 THR CA C 60.046 0.3 1 971 210 210 THR CB C 65.593 0.3 1 972 210 210 THR N N 120.405 0.3 1 973 211 211 THR H H 8.686 0.020 1 974 211 211 THR C C 169.872 0.3 1 975 211 211 THR CA C 59.458 0.3 1 976 211 211 THR CB C 66.880 0.3 1 977 211 211 THR N N 125.840 0.3 1 978 212 212 LEU H H 9.195 0.020 1 979 212 212 LEU C C 172.071 0.3 1 980 212 212 LEU CA C 51.175 0.3 1 981 212 212 LEU CB C 40.336 0.3 1 982 212 212 LEU N N 128.451 0.3 1 983 213 213 VAL H H 9.227 0.020 1 984 213 213 VAL C C 172.668 0.3 1 985 213 213 VAL CA C 55.087 0.3 1 986 213 213 VAL CB C 32.581 0.3 1 987 213 213 VAL N N 121.010 0.3 1 988 214 214 ILE H H 9.027 0.020 1 989 214 214 ILE C C 172.139 0.3 1 990 214 214 ILE CA C 58.972 0.3 1 991 214 214 ILE CB C 33.028 0.3 1 992 214 214 ILE N N 129.014 0.3 1 993 215 215 ALA H H 7.865 0.020 1 994 215 215 ALA C C 173.844 0.3 1 995 215 215 ALA CA C 48.746 0.3 1 996 215 215 ALA CB C 17.445 0.3 1 997 215 215 ALA N N 129.305 0.3 1 998 216 216 HIS H H 10.800 0.020 1 999 216 216 HIS C C 170.111 0.3 1 1000 216 216 HIS CA C 52.778 0.3 1 1001 216 216 HIS N N 117.602 0.3 1 1002 217 217 ARG H H 8.000 0.020 1 1003 217 217 ARG C C 173.622 0.3 1 1004 217 217 ARG CA C 51.789 0.3 1 1005 217 217 ARG CB C 28.679 0.3 1 1006 217 217 ARG N N 120.156 0.3 1 1007 218 218 LEU H H 8.720 0.020 1 1008 218 218 LEU C C 174.952 0.3 1 1009 218 218 LEU CA C 54.422 0.3 1 1010 218 218 LEU CB C 37.841 0.3 1 1011 218 218 LEU N N 125.911 0.3 1 1012 219 219 SER H H 8.389 0.020 1 1013 219 219 SER C C 173.315 0.3 1 1014 219 219 SER CA C 58.052 0.3 1 1015 219 219 SER N N 111.464 0.3 1 1016 220 220 THR H H 6.666 0.020 1 1017 220 220 THR C C 172.804 0.3 1 1018 220 220 THR CA C 61.887 0.3 1 1019 220 220 THR CB C 64.397 0.3 1 1020 220 220 THR N N 118.822 0.3 1 1021 221 221 ILE H H 7.088 0.020 1 1022 221 221 ILE C C 174.716 0.3 1 1023 221 221 ILE CA C 61.452 0.3 1 1024 221 221 ILE CB C 34.520 0.3 1 1025 221 221 ILE N N 120.409 0.3 1 1026 222 222 VAL H H 7.986 0.020 1 1027 222 222 VAL C C 174.492 0.3 1 1028 222 222 VAL CA C 62.475 0.3 1 1029 222 222 VAL CB C 27.585 0.3 1 1030 222 222 VAL N N 117.664 0.3 1 1031 223 223 ASP H H 6.969 0.020 1 1032 223 223 ASP C C 173.605 0.3 1 1033 223 223 ASP CA C 51.124 0.3 1 1034 223 223 ASP CB C 38.020 0.3 1 1035 223 223 ASP N N 116.998 0.3 1 1036 224 224 ALA H H 7.156 0.020 1 1037 224 224 ALA C C 175.105 0.3 1 1038 224 224 ALA CA C 49.922 0.3 1 1039 224 224 ALA CB C 14.537 0.3 1 1040 224 224 ALA N N 123.214 0.3 1 1041 225 225 ASP H H 9.128 0.020 1 1042 225 225 ASP C C 173.503 0.3 1 1043 225 225 ASP CA C 54.908 0.3 1 1044 225 225 ASP CB C 38.546 0.3 1 1045 225 225 ASP N N 122.749 0.3 1 1046 226 226 LYS H H 7.332 0.020 1 1047 226 226 LYS C C 169.344 0.3 1 1048 226 226 LYS CA C 53.706 0.3 1 1049 226 226 LYS CB C 31.818 0.3 1 1050 226 226 LYS N N 114.647 0.3 1 1051 227 227 ILE H H 8.389 0.020 1 1052 227 227 ILE C C 171.730 0.3 1 1053 227 227 ILE CA C 55.905 0.3 1 1054 227 227 ILE N N 125.667 0.3 1 1055 228 228 TYR H H 8.826 0.020 1 1056 228 228 TYR C C 170.622 0.3 1 1057 228 228 TYR CA C 54.345 0.3 1 1058 228 228 TYR CB C 40.418 0.3 1 1059 228 228 TYR N N 123.597 0.3 1 1060 229 229 PHE H H 8.714 0.020 1 1061 229 229 PHE C C 170.980 0.3 1 1062 229 229 PHE CA C 53.297 0.3 1 1063 229 229 PHE CB C 36.682 0.3 1 1064 229 229 PHE N N 126.347 0.3 1 1065 230 230 ILE H H 8.286 0.020 1 1066 230 230 ILE C C 172.122 0.3 1 1067 230 230 ILE CA C 55.547 0.3 1 1068 230 230 ILE CB C 36.607 0.3 1 1069 230 230 ILE N N 127.938 0.3 1 1070 231 231 GLU H H 8.659 0.020 1 1071 231 231 GLU C C 173.571 0.3 1 1072 231 231 GLU CA C 51.789 0.3 1 1073 231 231 GLU CB C 29.598 0.3 1 1074 231 231 GLU N N 125.070 0.3 1 1075 232 232 LYS H H 9.566 0.020 1 1076 232 232 LYS C C 173.401 0.3 1 1077 232 232 LYS CA C 53.604 0.3 1 1078 232 232 LYS CB C 26.989 0.3 1 1079 232 232 LYS N N 125.181 0.3 1 1080 233 233 GLY H H 8.016 0.020 1 1081 233 233 GLY C C 169.599 0.3 1 1082 233 233 GLY CA C 44.119 0.3 1 1083 233 233 GLY N N 105.624 0.3 1 1084 234 234 GLU H H 7.576 0.020 1 1085 234 234 GLU C C 173.077 0.3 1 1086 234 234 GLU CA C 50.592 0.3 1 1087 234 234 GLU CB C 29.800 0.3 1 1088 234 234 GLU N N 116.096 0.3 1 1089 235 235 ILE H H 8.837 0.020 1 1090 235 235 ILE C C 175.071 0.3 1 1091 235 235 ILE CA C 57.950 0.3 1 1092 235 235 ILE CB C 34.072 0.3 1 1093 235 235 ILE N N 122.692 0.3 1 1094 236 236 THR H H 8.999 0.020 1 1095 236 236 THR C C 173.230 0.3 1 1096 236 236 THR CA C 58.189 0.3 1 1097 236 236 THR CB C 65.687 0.3 1 1098 236 236 THR N N 120.770 0.3 1 1099 237 237 GLY H H 7.715 0.020 1 1100 237 237 GLY C C 167.401 0.3 1 1101 237 237 GLY CA C 42.841 0.3 1 1102 237 237 GLY N N 109.349 0.3 1 1103 238 238 SER H H 8.356 0.020 1 1104 238 238 SER C C 170.349 0.3 1 1105 238 238 SER CA C 53.629 0.3 1 1106 238 238 SER CB C 63.575 0.3 1 1107 238 238 SER N N 114.963 0.3 1 1108 239 239 GLY H H 8.116 0.020 1 1109 239 239 GLY C C 169.548 0.3 1 1110 239 239 GLY CA C 41.232 0.3 1 1111 239 239 GLY N N 107.255 0.3 1 1112 240 240 LYS H H 8.573 0.020 1 1113 240 240 LYS C C 175.054 0.3 1 1114 240 240 LYS CA C 52.778 0.3 1 1115 240 240 LYS CB C 29.822 0.3 1 1116 240 240 LYS N N 120.531 0.3 1 1117 241 241 HIS H H 8.860 0.020 1 1118 241 241 HIS C C 173.435 0.3 1 1119 241 241 HIS CA C 58.180 0.3 1 1120 241 241 HIS CB C 28.182 0.3 1 1121 241 241 HIS N N 123.153 0.3 1 1122 242 242 ASN H H 8.587 0.020 1 1123 242 242 ASN C C 174.781 0.3 1 1124 242 242 ASN CA C 53.041 0.3 1 1125 242 242 ASN CB C 33.985 0.3 1 1126 242 242 ASN N N 112.329 0.3 1 1127 243 243 GLU H H 6.972 0.020 1 1128 243 243 GLU C C 175.923 0.3 1 1129 243 243 GLU CA C 54.908 0.3 1 1130 243 243 GLU CB C 26.168 0.3 1 1131 243 243 GLU N N 119.152 0.3 1 1132 244 244 LEU H H 7.875 0.020 1 1133 244 244 LEU C C 176.366 0.3 1 1134 244 244 LEU CA C 54.217 0.3 1 1135 244 244 LEU CB C 38.393 0.3 1 1136 244 244 LEU N N 122.441 0.3 1 1137 245 245 VAL H H 8.307 0.020 1 1138 245 245 VAL C C 173.929 0.3 1 1139 245 245 VAL CA C 62.858 0.3 1 1140 245 245 VAL CB C 27.783 0.3 1 1141 245 245 VAL N N 117.022 0.3 1 1142 246 246 ALA H H 6.750 0.020 1 1143 246 246 ALA C C 176.707 0.3 1 1144 246 246 ALA CA C 50.148 0.3 1 1145 246 246 ALA CB C 16.126 0.3 1 1146 246 246 ALA N N 118.630 0.3 1 1147 247 247 THR H H 7.410 0.020 1 1148 247 247 THR C C 171.611 0.3 1 1149 247 247 THR CA C 58.972 0.3 1 1150 247 247 THR CB C 68.656 0.3 1 1151 247 247 THR N N 105.456 0.3 1 1152 248 248 HIS H H 8.424 0.020 1 1153 248 248 HIS CA C 51.226 0.3 1 1154 248 248 HIS CB C 28.927 0.3 1 1155 248 248 HIS N N 127.185 0.3 1 1156 250 250 LEU C C 176.743 0.3 1 1157 250 250 LEU CA C 54.009 0.3 1 1158 251 251 TYR H H 9.070 0.020 1 1159 251 251 TYR C C 173.759 0.3 1 1160 251 251 TYR CA C 58.473 0.3 1 1161 251 251 TYR N N 126.981 0.3 1 1162 252 252 ALA H H 8.244 0.020 1 1163 252 252 ALA C C 177.866 0.3 1 1164 252 252 ALA CA C 52.300 0.3 1 1165 252 252 ALA CB C 14.108 0.3 1 1166 252 252 ALA N N 120.275 0.3 1 1167 253 253 LYS H H 7.693 0.020 1 1168 253 253 LYS C C 174.713 0.3 1 1169 253 253 LYS CA C 56.032 0.3 1 1170 253 253 LYS CB C 29.203 0.3 1 1171 253 253 LYS N N 119.287 0.3 1 1172 254 254 TYR H H 7.968 0.020 1 1173 254 254 TYR C C 175.344 0.3 1 1174 254 254 TYR CA C 58.819 0.3 1 1175 254 254 TYR CB C 34.807 0.3 1 1176 254 254 TYR N N 122.163 0.3 1 1177 255 255 VAL H H 8.421 0.020 1 1178 255 255 VAL C C 175.412 0.3 1 1179 255 255 VAL CA C 62.616 0.3 1 1180 255 255 VAL CB C 27.633 0.3 1 1181 255 255 VAL N N 117.891 0.3 1 1182 256 256 SER H H 7.500 0.020 1 1183 256 256 SER C C 173.128 0.3 1 1184 256 256 SER CA C 57.745 0.3 1 1185 256 256 SER N N 113.437 0.3 1 1186 257 257 GLU H H 7.995 0.020 1 1187 257 257 GLU C C 175.327 0.3 1 1188 257 257 GLU CA C 54.657 0.3 1 1189 257 257 GLU CB C 27.633 0.3 1 1190 257 257 GLU N N 117.704 0.3 1 1191 258 258 GLN H H 8.034 0.020 1 1192 258 258 GLN C C 173.912 0.3 1 1193 258 258 GLN CA C 53.092 0.3 1 1194 258 258 GLN CB C 25.989 0.3 1 1195 258 258 GLN N N 114.848 0.3 1 1196 259 259 LEU H H 7.158 0.020 1 1197 259 259 LEU C C 174.440 0.3 1 1198 259 259 LEU CA C 51.942 0.3 1 1199 259 259 LEU CB C 38.543 0.3 1 1200 259 259 LEU N N 118.342 0.3 1 1201 260 260 THR H H 7.759 0.020 1 1202 260 260 THR C C 171.884 0.3 1 1203 260 260 THR CA C 59.024 0.3 1 1204 260 260 THR CB C 66.564 0.3 1 1205 260 260 THR N N 112.986 0.3 1 1206 261 261 VAL H H 7.940 0.020 1 1207 261 261 VAL C C 173.776 0.3 1 1208 261 261 VAL CA C 59.151 0.3 1 1209 261 261 VAL CB C 29.053 0.3 1 1210 261 261 VAL N N 122.387 0.3 1 1211 262 262 GLY H H 8.290 0.020 1 1212 262 262 GLY C C 170.537 0.3 1 1213 262 262 GLY CA C 42.202 0.3 1 1214 262 262 GLY N N 112.880 0.3 1 1215 263 263 GLN H H 7.763 0.020 1 1216 263 263 GLN CA C 53.962 0.3 1 1217 263 263 GLN CB C 26.914 0.3 1 1218 263 263 GLN N N 125.109 0.3 1 stop_ save_