data_16673 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; backbone resonance assignment for the class A beta-lactamase Bacillus licheniformis BS3 ; _BMRB_accession_number 16673 _BMRB_flat_file_name bmr16673.str _Entry_type original _Submission_date 2010-01-13 _Accession_date 2010-01-13 _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 Vandenameele Julie . . 2 Matagne Andre . . 3 Damblon Christian . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 256 "13C chemical shifts" 781 "15N chemical shifts" 256 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2010-10-05 update BMRB 'Update entry citation' 2010-06-28 original author 'original release' stop_ save_ ############################# # Citation for this entry # ############################# save_BS3_assignment _Saveframe_category entry_citation _Citation_full . _Citation_title '1H, 13C and 15N backbone resonance assignments for the BS3 class A -lactamase from Bacillus licheniformis.' _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 20556551 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Vandenameele Julie . . 2 Matagne Andre . . 3 Damblon Christian . . stop_ _Journal_abbreviation 'Biomol. NMR Assignments' _Journal_name_full 'Biomolecular NMR assignments' _Journal_volume 4 _Journal_issue 2 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 195 _Page_last 197 _Year 2010 _Details . save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name BS3 _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label BS3 $BS3 stop_ _System_molecular_weight . _System_physical_state native _System_oligomer_state ? _System_paramagnetic no _System_thiol_state . loop_ _Biological_function beta-lactamase stop_ _Database_query_date . _Details . save_ ######################## # Monomeric polymers # ######################## save_BS3 _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common BS3 _Molecular_mass . _Mol_thiol_state 'not present' loop_ _Biological_function 'class A beta-lactamase' stop_ _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 269 _Mol_residue_sequence ; PAMAKTEMKDDFAKLEEQFD AKLGIFALDTGTNRTVTYRP DERFAFASTIKALTVGVLLQ QKSIEDLNQRITYTRDDLVN YNPITEKHVDTGMTLKELAD ASLRYSDNTAQNLILKQIGG PESLKKELRKIGDEVTNPER FEPELNEVNPGETQDTSTAR ALATSLQAFALEDKLPSEKR ELLIDWMKRNTTGDALIRAG VPEGWEVADKTGAGSYGTRN DIAIIWPPKGDPVVLAVLSS RDKKDAKYDDKLIAEATKVV VKALNMNGK ; loop_ _Residue_seq_code _Residue_label 1 PRO 2 ALA 3 MET 4 ALA 5 LYS 6 THR 7 GLU 8 MET 9 LYS 10 ASP 11 ASP 12 PHE 13 ALA 14 LYS 15 LEU 16 GLU 17 GLU 18 GLN 19 PHE 20 ASP 21 ALA 22 LYS 23 LEU 24 GLY 25 ILE 26 PHE 27 ALA 28 LEU 29 ASP 30 THR 31 GLY 32 THR 33 ASN 34 ARG 35 THR 36 VAL 37 THR 38 TYR 39 ARG 40 PRO 41 ASP 42 GLU 43 ARG 44 PHE 45 ALA 46 PHE 47 ALA 48 SER 49 THR 50 ILE 51 LYS 52 ALA 53 LEU 54 THR 55 VAL 56 GLY 57 VAL 58 LEU 59 LEU 60 GLN 61 GLN 62 LYS 63 SER 64 ILE 65 GLU 66 ASP 67 LEU 68 ASN 69 GLN 70 ARG 71 ILE 72 THR 73 TYR 74 THR 75 ARG 76 ASP 77 ASP 78 LEU 79 VAL 80 ASN 81 TYR 82 ASN 83 PRO 84 ILE 85 THR 86 GLU 87 LYS 88 HIS 89 VAL 90 ASP 91 THR 92 GLY 93 MET 94 THR 95 LEU 96 LYS 97 GLU 98 LEU 99 ALA 100 ASP 101 ALA 102 SER 103 LEU 104 ARG 105 TYR 106 SER 107 ASP 108 ASN 109 THR 110 ALA 111 GLN 112 ASN 113 LEU 114 ILE 115 LEU 116 LYS 117 GLN 118 ILE 119 GLY 120 GLY 121 PRO 122 GLU 123 SER 124 LEU 125 LYS 126 LYS 127 GLU 128 LEU 129 ARG 130 LYS 131 ILE 132 GLY 133 ASP 134 GLU 135 VAL 136 THR 137 ASN 138 PRO 139 GLU 140 ARG 141 PHE 142 GLU 143 PRO 144 GLU 145 LEU 146 ASN 147 GLU 148 VAL 149 ASN 150 PRO 151 GLY 152 GLU 153 THR 154 GLN 155 ASP 156 THR 157 SER 158 THR 159 ALA 160 ARG 161 ALA 162 LEU 163 ALA 164 THR 165 SER 166 LEU 167 GLN 168 ALA 169 PHE 170 ALA 171 LEU 172 GLU 173 ASP 174 LYS 175 LEU 176 PRO 177 SER 178 GLU 179 LYS 180 ARG 181 GLU 182 LEU 183 LEU 184 ILE 185 ASP 186 TRP 187 MET 188 LYS 189 ARG 190 ASN 191 THR 192 THR 193 GLY 194 ASP 195 ALA 196 LEU 197 ILE 198 ARG 199 ALA 200 GLY 201 VAL 202 PRO 203 GLU 204 GLY 205 TRP 206 GLU 207 VAL 208 ALA 209 ASP 210 LYS 211 THR 212 GLY 213 ALA 214 GLY 215 SER 216 TYR 217 GLY 218 THR 219 ARG 220 ASN 221 ASP 222 ILE 223 ALA 224 ILE 225 ILE 226 TRP 227 PRO 228 PRO 229 LYS 230 GLY 231 ASP 232 PRO 233 VAL 234 VAL 235 LEU 236 ALA 237 VAL 238 LEU 239 SER 240 SER 241 ARG 242 ASP 243 LYS 244 LYS 245 ASP 246 ALA 247 LYS 248 TYR 249 ASP 250 ASP 251 LYS 252 LEU 253 ILE 254 ALA 255 GLU 256 ALA 257 THR 258 LYS 259 VAL 260 VAL 261 VAL 262 LYS 263 ALA 264 LEU 265 ASN 266 MET 267 ASN 268 GLY 269 LYS stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2015-11-18 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 1I2S "Beta-Lactamase From Bacillus Licheniformis Bs3" 98.51 282 99.62 100.00 0.00e+00 PDB 1I2W "Beta-Lactamase From Bacillus Licheniformis Bs3 Complexed With Cefoxitin" 98.51 282 99.62 100.00 0.00e+00 PDB 1W7F "Crystal Structure Of The Class A Beta-Lactamase Bs3 Inhibited With Isocitrate" 98.51 307 100.00 100.00 0.00e+00 PDB 2BLM "Beta-Lactamase Of Bacillus Licheniformis 749(Slash)c At 2 Angstroms Resolution" 98.51 265 97.36 98.49 0.00e+00 PDB 2WK0 "Crystal Structure Of The Class A Beta-Lactamase Bs3 Inhibited By 6-Beta-Iodopenicillanate." 98.51 265 100.00 100.00 0.00e+00 PDB 2X71 "Structural Basis For The Interaction Of Lactivicins With Serine Beta-Lactamases" 98.51 265 100.00 100.00 0.00e+00 PDB 2Y91 "Crystal Structure Of Class A Beta-Lactamase From Bacillus Licheniformis Bs3 With Clavulanic Acid" 98.51 265 99.62 99.62 0.00e+00 PDB 3B3X "Crystal Structure Of Class A Beta-Lactamase Of Bacillus Licheniformis Bs3 With Aminocitrate" 98.51 265 100.00 100.00 0.00e+00 PDB 3LY3 "Crystal Structure Of Fluorophore-Labeled Class A Beta-Lactamase Penp" 96.28 259 96.91 98.07 1.94e-180 PDB 3SH7 "Crystal Structure Of Fluorophore-labeled Beta-lactamase Penp" 98.51 266 96.98 98.11 0.00e+00 PDB 3SH8 "Crystal Structure Of Fluorophore-labeled Beta-lactamase Penp In Complex With Cephaloridine" 98.51 266 96.98 98.11 0.00e+00 PDB 3SH9 "Crystal Structure Of Fluorophore-labeled Beta-lactamase Penp In Complex With Cefotaxime" 98.51 266 96.98 98.11 0.00e+00 PDB 4A5R "Crystal Structure Of Class A Beta-Lactamase From Bacillus Licheniformis Bs3 With Tazobactam" 98.51 265 100.00 100.00 0.00e+00 PDB 4BLM "Beta-Lactamase Of Bacillus Licheniformis 749(Slash)c. Refinement At 2 Angstroms Resolution And Analysis Of Hydration" 98.51 265 97.36 98.49 0.00e+00 PDB 4N92 "Crystal Structure Of Beta-lactamse Penp_e166s" 98.51 268 96.98 98.11 0.00e+00 PDB 4N9K "Crystal Structure Of Beta-lactamse Penp_e166s In Complex With Cephaloridine" 98.51 268 96.98 98.11 0.00e+00 PDB 4N9L "Crystal Structure Of Beta-lactamse Penp_e166s In Complex With Meropenem" 98.51 268 96.98 98.11 0.00e+00 EMBL CAA23431 "penicillinase [Bacillus licheniformis]" 98.51 307 97.36 98.49 0.00e+00 EMBL CAA71115 "beta-lactamase [Bacillus licheniformis]" 98.51 265 100.00 100.00 0.00e+00 GB AAU21887 "beta-lactamase precursor [Bacillus licheniformis DSM 13 = ATCC 14580]" 98.51 307 99.25 99.25 0.00e+00 GB AAU39239 "beta-lactamase PenP [Bacillus licheniformis DSM 13 = ATCC 14580]" 98.51 307 99.25 99.25 0.00e+00 GB AFC75862 "beta-lactamase [bacterium enrichment culture clone F7(2012)]" 98.51 307 96.98 98.87 0.00e+00 GB AGN34712 "beta-lactamase precursor [Bacillus licheniformis 9945A]" 98.51 307 96.98 98.11 0.00e+00 GB AJO16412 "Beta-lactamase [Bacillus licheniformis]" 98.51 325 97.36 98.49 0.00e+00 PRF 690942A penicillinase 98.51 265 97.36 98.49 0.00e+00 REF WP_003178584 "class A beta-lactamase [Bacillus licheniformis]" 98.51 307 99.25 99.25 0.00e+00 REF WP_020449992 "MULTISPECIES: class A beta-lactamase [Bacillus subtilis group]" 98.51 307 96.98 98.11 0.00e+00 REF WP_023857755 "MULTISPECIES: class A beta-lactamase [Bacillus]" 98.51 307 97.36 98.49 0.00e+00 REF WP_050792715 "class A beta-lactamase [Bacillus sp. BT1B_CT2]" 91.45 288 100.00 100.00 1.47e-177 SP P00808 "RecName: Full=Beta-lactamase; AltName: Full=Penicillinase; Contains: RecName: Full=Large exopenicillinase; Contains: RecName: F" 98.51 307 97.36 98.49 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 $BS3 'bacillus licheniformis' 1402 Bacteria . bacillus licheniformis 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 $BS3 'recombinant technology' . Escherichia coli 'BL21 DE3' pET22b stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $BS3 0.86 mM '[U-100% 13C; U-100% 15N]' H2O 95 % 'natural abundance' D2O 5 % '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 stop_ _Details . save_ save_CCPNMR _Saveframe_category software _Name CcpNMR _Version . loop_ _Vendor _Address _Electronic_address CCPN . . stop_ loop_ _Task 'chemical shift assignment' 'data analysis' 'peak picking' stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_Bruker _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model DRX _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_CBCA(CO)NH_2 _Saveframe_category NMR_applied_experiment _Experiment_name '3D CBCA(CO)NH' _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_HNCA_5 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCA' _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_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units pH 6.5 . pH pressure 1 . atm temperature 308 . 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 na indirect . . . 0.251449530 DSS H 1 'methyl protons' ppm 0.00 internal direct . . . 1.000000000 DSS N 15 'methyl protons' ppm 0.00 na indirect . . . 0.101329118 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chem_shift_list_1 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Software_label $CCPNMR stop_ loop_ _Experiment_label '2D 1H-15N HSQC' '3D CBCA(CO)NH' '3D HNCACB' '3D HNCO' '3D HNCA' '3D HN(CO)CA' '3D HN(CA)CO' 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 BS3 _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 PRO C C 176.466 0.000 1 2 1 1 PRO CA C 65.165 0.000 1 3 1 1 PRO CB C 32.125 0.000 1 4 2 2 ALA H H 8.383 0.001 1 5 2 2 ALA C C 177.710 0.000 1 6 2 2 ALA CA C 52.469 0.000 1 7 2 2 ALA CB C 19.240 0.000 1 8 2 2 ALA N N 123.974 0.083 1 9 3 3 MET H H 8.263 0.001 1 10 3 3 MET C C 174.721 0.000 1 11 3 3 MET CA C 55.315 0.000 1 12 3 3 MET CB C 33.051 0.000 1 13 3 3 MET N N 120.028 0.008 1 14 4 4 ALA H H 8.288 0.001 1 15 4 4 ALA C C 177.533 0.000 1 16 4 4 ALA CA C 52.478 0.000 1 17 4 4 ALA CB C 19.399 0.000 1 18 4 4 ALA N N 125.389 0.061 1 19 5 5 LYS H H 8.371 0.002 1 20 5 5 LYS C C 176.826 0.000 1 21 5 5 LYS CA C 56.580 0.000 1 22 5 5 LYS CB C 32.910 0.000 1 23 5 5 LYS N N 121.107 0.002 1 24 6 6 THR H H 8.135 0.004 1 25 6 6 THR C C 174.552 0.000 1 26 6 6 THR CA C 61.968 0.000 1 27 6 6 THR CB C 69.684 0.000 1 28 6 6 THR N N 115.009 0.000 1 29 7 7 GLU H H 8.507 0.002 1 30 7 7 GLU C C 176.668 0.000 1 31 7 7 GLU CA C 56.801 0.000 1 32 7 7 GLU CB C 30.502 0.000 1 33 7 7 GLU N N 123.232 0.009 1 34 8 8 MET H H 8.549 0.003 1 35 8 8 MET C C 176.286 0.000 1 36 8 8 MET CA C 56.419 0.000 1 37 8 8 MET CB C 31.620 0.000 1 38 8 8 MET N N 120.836 0.026 1 39 9 9 LYS H H 8.150 0.003 1 40 9 9 LYS C C 177.378 0.000 1 41 9 9 LYS CA C 59.213 0.000 1 42 9 9 LYS CB C 32.727 0.000 1 43 9 9 LYS N N 119.964 0.000 1 44 10 10 ASP H H 8.238 0.001 1 45 10 10 ASP C C 177.781 0.000 1 46 10 10 ASP CA C 56.299 0.000 1 47 10 10 ASP CB C 40.719 0.000 1 48 10 10 ASP N N 118.835 0.024 1 49 11 11 ASP H H 7.898 0.003 1 50 11 11 ASP C C 179.263 0.000 1 51 11 11 ASP CA C 57.161 0.000 1 52 11 11 ASP CB C 40.877 0.000 1 53 11 11 ASP N N 120.125 0.012 1 54 12 12 PHE H H 7.646 0.002 1 55 12 12 PHE C C 177.677 0.000 1 56 12 12 PHE CA C 60.876 0.000 1 57 12 12 PHE CB C 35.880 0.000 1 58 12 12 PHE N N 118.042 0.029 1 59 13 13 ALA H H 8.181 0.003 1 60 13 13 ALA C C 181.260 0.000 1 61 13 13 ALA CA C 55.413 0.000 1 62 13 13 ALA CB C 18.080 0.000 1 63 13 13 ALA N N 122.820 0.022 1 64 14 14 LYS H H 7.992 0.001 1 65 14 14 LYS C C 179.598 0.000 1 66 14 14 LYS CA C 59.191 0.000 1 67 14 14 LYS CB C 31.902 0.000 1 68 14 14 LYS N N 118.182 0.000 1 69 15 15 LEU H H 7.458 0.002 1 70 15 15 LEU C C 179.316 0.000 1 71 15 15 LEU CA C 58.136 0.000 1 72 15 15 LEU CB C 41.778 0.000 1 73 15 15 LEU N N 120.083 0.025 1 74 16 16 GLU H H 8.119 0.001 1 75 16 16 GLU C C 179.574 0.000 1 76 16 16 GLU CA C 60.951 0.000 1 77 16 16 GLU CB C 29.974 0.000 1 78 16 16 GLU N N 118.592 0.000 1 79 17 17 GLU H H 7.830 0.002 1 80 17 17 GLU C C 179.551 0.000 1 81 17 17 GLU CA C 58.993 0.000 1 82 17 17 GLU CB C 29.934 0.000 1 83 17 17 GLU N N 117.363 0.000 1 84 18 18 GLN H H 8.631 0.002 1 85 18 18 GLN C C 177.813 0.000 1 86 18 18 GLN CA C 58.832 0.000 1 87 18 18 GLN CB C 28.857 0.000 1 88 18 18 GLN N N 119.957 0.030 1 89 19 19 PHE H H 8.305 0.002 1 90 19 19 PHE C C 173.985 0.000 1 91 19 19 PHE CA C 58.665 0.000 1 92 19 19 PHE CB C 39.075 0.000 1 93 19 19 PHE N N 113.310 0.023 1 94 20 20 ASP H H 7.852 0.002 1 95 20 20 ASP C C 175.112 0.000 1 96 20 20 ASP CA C 54.754 0.000 1 97 20 20 ASP CB C 39.199 0.000 1 98 20 20 ASP N N 122.604 0.023 1 99 21 21 ALA H H 8.757 0.002 1 100 21 21 ALA C C 174.736 0.000 1 101 21 21 ALA CA C 50.938 0.000 1 102 21 21 ALA CB C 24.437 0.000 1 103 21 21 ALA N N 122.459 0.023 1 104 22 22 LYS H H 9.133 0.002 1 105 22 22 LYS C C 175.323 0.000 1 106 22 22 LYS CA C 54.722 0.000 1 107 22 22 LYS CB C 34.989 0.000 1 108 22 22 LYS N N 120.776 0.000 1 109 23 23 LEU H H 9.959 0.004 1 110 23 23 LEU C C 174.548 0.000 1 111 23 23 LEU CA C 53.418 0.000 1 112 23 23 LEU CB C 48.739 0.000 1 113 23 23 LEU N N 126.424 0.028 1 114 24 24 GLY H H 8.590 0.002 1 115 24 24 GLY C C 172.294 0.000 1 116 24 24 GLY CA C 44.930 0.000 1 117 24 24 GLY N N 107.746 0.000 1 118 25 25 ILE H H 9.580 0.003 1 119 25 25 ILE C C 175.968 0.000 1 120 25 25 ILE CA C 58.282 0.000 1 121 25 25 ILE CB C 40.958 0.000 1 122 25 25 ILE N N 122.341 0.025 1 123 26 26 PHE H H 8.302 0.004 1 124 26 26 PHE C C 171.938 0.000 1 125 26 26 PHE CA C 59.334 0.000 1 126 26 26 PHE CB C 41.915 0.000 1 127 26 26 PHE N N 125.377 0.014 1 128 27 27 ALA H H 8.238 0.002 1 129 27 27 ALA C C 174.286 0.000 1 130 27 27 ALA CA C 49.114 0.000 1 131 27 27 ALA CB C 24.255 0.000 1 132 27 27 ALA N N 130.378 0.033 1 133 28 28 LEU H H 8.804 0.003 1 134 28 28 LEU C C 174.824 0.000 1 135 28 28 LEU CA C 53.385 0.000 1 136 28 28 LEU CB C 46.521 0.000 1 137 28 28 LEU N N 121.629 0.027 1 138 29 29 ASP H H 8.697 0.003 1 139 29 29 ASP C C 177.085 0.000 1 140 29 29 ASP CA C 53.249 0.000 1 141 29 29 ASP CB C 41.865 0.000 1 142 29 29 ASP N N 125.289 0.029 1 143 30 30 THR H H 8.224 0.002 1 144 30 30 THR C C 175.831 0.000 1 145 30 30 THR CA C 64.536 0.000 1 146 30 30 THR CB C 68.940 0.000 1 147 30 30 THR N N 117.088 0.023 1 148 31 31 GLY H H 8.786 0.002 1 149 31 31 GLY C C 175.229 0.000 1 150 31 31 GLY CA C 46.366 0.000 1 151 31 31 GLY N N 109.013 0.000 1 152 32 32 THR H H 7.048 0.004 1 153 32 32 THR C C 175.582 0.000 1 154 32 32 THR CA C 61.453 0.000 1 155 32 32 THR CB C 71.690 0.000 1 156 32 32 THR N N 107.096 0.026 1 157 33 33 ASN H H 8.559 0.002 1 158 33 33 ASN C C 173.985 0.000 1 159 33 33 ASN CA C 55.328 0.000 1 160 33 33 ASN CB C 37.492 0.000 1 161 33 33 ASN N N 117.501 0.019 1 162 34 34 ARG H H 7.574 0.002 1 163 34 34 ARG C C 175.323 0.000 1 164 34 34 ARG CA C 57.016 0.000 1 165 34 34 ARG CB C 31.614 0.000 1 166 34 34 ARG N N 118.794 0.000 1 167 35 35 THR H H 8.064 0.002 1 168 35 35 THR C C 175.089 0.000 1 169 35 35 THR CA C 58.449 0.000 1 170 35 35 THR CB C 72.692 0.000 1 171 35 35 THR N N 110.425 0.000 1 172 36 36 VAL H H 8.339 0.002 1 173 36 36 VAL C C 174.713 0.000 1 174 36 36 VAL CA C 61.873 0.000 1 175 36 36 VAL CB C 34.742 0.000 1 176 36 36 VAL N N 121.178 0.023 1 177 37 37 THR H H 8.467 0.004 1 178 37 37 THR C C 173.058 0.000 1 179 37 37 THR CA C 58.552 0.000 1 180 37 37 THR CB C 72.474 0.000 1 181 37 37 THR N N 113.996 0.015 1 182 38 38 TYR H H 8.419 0.002 1 183 38 38 TYR C C 172.532 0.000 1 184 38 38 TYR CA C 60.097 0.000 1 185 38 38 TYR CB C 40.610 0.000 1 186 38 38 TYR N N 121.209 0.053 1 187 39 39 ARG H H 8.896 0.002 1 188 39 39 ARG C C 175.036 0.000 1 189 39 39 ARG CA C 57.304 0.000 1 190 39 39 ARG CB C 28.283 0.000 1 191 39 39 ARG N N 122.797 0.000 1 192 40 40 PRO C C 174.617 0.000 1 193 40 40 PRO CA C 65.660 0.000 1 194 40 40 PRO CB C 32.268 0.000 1 195 41 41 ASP H H 8.291 0.002 1 196 41 41 ASP C C 174.668 0.000 1 197 41 41 ASP CA C 53.740 0.000 1 198 41 41 ASP CB C 42.119 0.000 1 199 41 41 ASP N N 113.924 0.030 1 200 42 42 GLU H H 7.005 0.002 1 201 42 42 GLU C C 176.161 0.000 1 202 42 42 GLU CA C 55.695 0.000 1 203 42 42 GLU CB C 30.777 0.000 1 204 42 42 GLU N N 121.310 0.000 1 205 43 43 ARG H H 8.500 0.001 1 206 43 43 ARG C C 176.679 0.000 1 207 43 43 ARG CA C 56.670 0.000 1 208 43 43 ARG CB C 31.677 0.000 1 209 43 43 ARG N N 123.592 0.000 1 210 44 44 PHE H H 8.806 0.002 1 211 44 44 PHE C C 175.258 0.000 1 212 44 44 PHE CA C 56.560 0.000 1 213 44 44 PHE CB C 43.704 0.000 1 214 44 44 PHE N N 118.988 0.031 1 215 45 45 ALA H H 9.302 0.003 1 216 45 45 ALA C C 177.324 0.000 1 217 45 45 ALA CA C 52.835 0.000 1 218 45 45 ALA CB C 17.609 0.000 1 219 45 45 ALA N N 125.239 0.000 1 220 46 46 PHE H H 7.122 0.001 1 221 46 46 PHE C C 178.594 0.000 1 222 46 46 PHE CA C 56.976 0.000 1 223 46 46 PHE CB C 37.824 0.000 1 224 46 46 PHE N N 118.178 0.014 1 225 47 47 ALA H H 10.354 0.005 1 226 47 47 ALA C C 177.989 0.000 1 227 47 47 ALA CA C 53.160 0.000 1 228 47 47 ALA CB C 17.768 0.000 1 229 47 47 ALA N N 132.641 0.040 1 230 48 48 SER H H 7.392 0.001 1 231 48 48 SER C C 176.468 0.000 1 232 48 48 SER N N 112.007 0.033 1 233 49 49 THR H H 7.740 0.001 1 234 49 49 THR C C 176.967 0.000 1 235 49 49 THR CA C 66.244 0.000 1 236 49 49 THR CB C 67.675 0.000 1 237 49 49 THR N N 114.117 0.031 1 238 50 50 ILE H H 6.970 0.002 1 239 50 50 ILE C C 178.021 0.000 1 240 50 50 ILE CA C 57.942 0.000 1 241 50 50 ILE CB C 38.800 0.000 1 242 50 50 ILE N N 118.176 0.026 1 243 51 51 LYS H H 8.157 0.002 1 244 51 51 LYS C C 179.291 0.000 1 245 51 51 LYS CA C 59.597 0.000 1 246 51 51 LYS CB C 31.987 0.000 1 247 51 51 LYS N N 125.973 0.021 1 248 52 52 ALA H H 7.151 0.002 1 249 52 52 ALA C C 177.184 0.000 1 250 52 52 ALA CA C 55.153 0.000 1 251 52 52 ALA CB C 17.859 0.000 1 252 52 52 ALA N N 118.028 0.000 1 253 53 53 LEU H H 6.037 0.002 1 254 53 53 LEU C C 176.898 0.000 1 255 53 53 LEU CA C 56.992 0.000 1 256 53 53 LEU CB C 40.406 0.000 1 257 53 53 LEU N N 113.364 0.021 1 258 54 54 THR H H 7.862 0.002 1 259 54 54 THR C C 175.470 0.000 1 260 54 54 THR CA C 67.059 0.000 1 261 54 54 THR CB C 68.125 0.000 1 262 54 54 THR N N 113.282 0.035 1 263 55 55 VAL H H 7.182 0.002 1 264 55 55 VAL C C 176.576 0.000 1 265 55 55 VAL CA C 66.845 0.000 1 266 55 55 VAL CB C 30.923 0.000 1 267 55 55 VAL N N 119.486 0.000 1 268 56 56 GLY H H 7.389 0.002 1 269 56 56 GLY C C 173.202 0.000 1 270 56 56 GLY CA C 47.409 0.000 1 271 56 56 GLY N N 106.964 0.000 1 272 57 57 VAL H H 7.036 0.002 1 273 57 57 VAL C C 177.863 0.000 1 274 57 57 VAL CA C 66.370 0.000 1 275 57 57 VAL CB C 31.129 0.000 1 276 57 57 VAL N N 119.317 0.031 1 277 58 58 LEU H H 8.034 0.002 1 278 58 58 LEU C C 178.096 0.000 1 279 58 58 LEU CA C 58.846 0.000 1 280 58 58 LEU CB C 41.672 0.000 1 281 58 58 LEU N N 121.264 0.000 1 282 59 59 LEU H H 8.505 0.002 1 283 59 59 LEU C C 177.295 0.000 1 284 59 59 LEU CA C 56.689 0.000 1 285 59 59 LEU CB C 41.759 0.000 1 286 59 59 LEU N N 114.753 0.032 1 287 60 60 GLN H H 7.874 0.002 1 288 60 60 GLN C C 178.492 0.000 1 289 60 60 GLN CA C 58.807 0.000 1 290 60 60 GLN CB C 29.910 0.000 1 291 60 60 GLN N N 117.797 0.033 1 292 61 61 GLN H H 7.714 0.002 1 293 61 61 GLN C C 176.257 0.000 1 294 61 61 GLN CA C 57.247 0.000 1 295 61 61 GLN CB C 30.175 0.000 1 296 61 61 GLN N N 114.858 0.016 1 297 62 62 LYS H H 7.775 0.002 1 298 62 62 LYS C C 175.873 0.000 1 299 62 62 LYS CA C 53.140 0.000 1 300 62 62 LYS CB C 34.473 0.000 1 301 62 62 LYS N N 118.851 0.021 1 302 63 63 SER H H 9.125 0.002 1 303 63 63 SER C C 174.723 0.000 1 304 63 63 SER CA C 57.011 0.000 1 305 63 63 SER CB C 65.016 0.000 1 306 63 63 SER N N 117.067 0.025 1 307 64 64 ILE H H 8.709 0.002 1 308 64 64 ILE C C 179.658 0.000 1 309 64 64 ILE CA C 64.882 0.000 1 310 64 64 ILE CB C 36.421 0.000 1 311 64 64 ILE N N 119.608 0.025 1 312 65 65 GLU H H 8.584 0.002 1 313 65 65 GLU C C 179.783 0.000 1 314 65 65 GLU CA C 59.765 0.000 1 315 65 65 GLU CB C 28.880 0.000 1 316 65 65 GLU N N 120.883 0.000 1 317 66 66 ASP H H 8.142 0.002 1 318 66 66 ASP C C 178.760 0.000 1 319 66 66 ASP CA C 56.665 0.000 1 320 66 66 ASP CB C 40.896 0.000 1 321 66 66 ASP N N 121.373 0.033 1 322 67 67 LEU H H 7.731 0.002 1 323 67 67 LEU C C 176.216 0.000 1 324 67 67 LEU CA C 56.043 0.000 1 325 67 67 LEU CB C 40.936 0.000 1 326 67 67 LEU N N 116.793 0.000 1 327 68 68 ASN H H 7.678 0.002 1 328 68 68 ASN C C 174.458 0.000 1 329 68 68 ASN CA C 53.207 0.000 1 330 68 68 ASN CB C 38.347 0.000 1 331 68 68 ASN N N 114.485 0.059 1 332 69 69 GLN H H 7.502 0.002 1 333 69 69 GLN C C 174.612 0.000 1 334 69 69 GLN CA C 56.784 0.000 1 335 69 69 GLN CB C 29.053 0.000 1 336 69 69 GLN N N 120.369 0.000 1 337 70 70 ARG H H 8.554 0.002 1 338 70 70 ARG C C 174.751 0.000 1 339 70 70 ARG CA C 56.875 0.000 1 340 70 70 ARG CB C 31.100 0.000 1 341 70 70 ARG N N 124.976 0.000 1 342 71 71 ILE H H 9.235 0.003 1 343 71 71 ILE C C 175.387 0.000 1 344 71 71 ILE CA C 58.355 0.000 1 345 71 71 ILE CB C 37.044 0.000 1 346 71 71 ILE N N 130.335 0.030 1 347 72 72 THR H H 8.225 0.003 1 348 72 72 THR C C 173.313 0.000 1 349 72 72 THR CA C 60.701 0.000 1 350 72 72 THR CB C 69.897 0.000 1 351 72 72 THR N N 118.268 0.000 1 352 73 73 TYR H H 8.303 0.003 1 353 73 73 TYR C C 172.898 0.000 1 354 73 73 TYR CA C 55.758 0.000 1 355 73 73 TYR CB C 38.499 0.000 1 356 73 73 TYR N N 120.509 0.000 1 357 74 74 THR H H 9.390 0.001 1 358 74 74 THR C C 176.659 0.000 1 359 74 74 THR CA C 59.816 0.000 1 360 74 74 THR CB C 73.158 0.000 1 361 74 74 THR N N 108.984 0.000 1 362 75 75 ARG H H 9.074 0.002 1 363 75 75 ARG C C 178.317 0.000 1 364 75 75 ARG CA C 59.540 0.000 1 365 75 75 ARG CB C 29.173 0.000 1 366 75 75 ARG N N 119.037 0.028 1 367 76 76 ASP H H 7.910 0.004 1 368 76 76 ASP C C 176.603 0.000 1 369 76 76 ASP CA C 56.043 0.000 1 370 76 76 ASP CB C 40.639 0.000 1 371 76 76 ASP N N 117.305 0.000 1 372 77 77 ASP H H 7.781 0.002 1 373 77 77 ASP C C 175.385 0.000 1 374 77 77 ASP CA C 55.799 0.000 1 375 77 77 ASP CB C 42.767 0.000 1 376 77 77 ASP N N 116.940 0.028 1 377 78 78 LEU H H 7.021 0.002 1 378 78 78 LEU C C 178.730 0.000 1 379 78 78 LEU CA C 55.018 0.000 1 380 78 78 LEU CB C 41.147 0.000 1 381 78 78 LEU N N 116.523 0.064 1 382 79 79 VAL H H 7.270 0.003 1 383 79 79 VAL C C 176.014 0.000 1 384 79 79 VAL CA C 59.230 0.000 1 385 79 79 VAL CB C 30.279 0.000 1 386 79 79 VAL N N 113.925 0.020 1 387 80 80 ASN H H 8.497 0.003 1 388 80 80 ASN C C 174.585 0.000 1 389 80 80 ASN CA C 55.267 0.000 1 390 80 80 ASN CB C 38.209 0.000 1 391 80 80 ASN N N 120.079 0.000 1 392 81 81 TYR H H 6.865 0.003 1 393 81 81 TYR C C 172.115 0.000 1 394 81 81 TYR CA C 59.802 0.000 1 395 81 81 TYR CB C 38.383 0.000 1 396 81 81 TYR N N 121.593 0.022 1 397 82 82 ASN H H 8.844 0.002 1 398 82 82 ASN C C 172.317 0.000 1 399 82 82 ASN CA C 50.043 0.000 1 400 82 82 ASN CB C 41.158 0.000 1 401 82 82 ASN N N 126.202 0.087 1 402 83 83 PRO C C 176.631 0.000 1 403 83 83 PRO CA C 64.836 0.000 1 404 83 83 PRO CB C 30.946 0.000 1 405 84 84 ILE H H 8.286 0.003 1 406 84 84 ILE C C 179.009 0.000 1 407 84 84 ILE CA C 59.936 0.000 1 408 84 84 ILE CB C 37.285 0.000 1 409 84 84 ILE N N 115.017 0.022 1 410 85 85 THR H H 9.262 0.002 1 411 85 85 THR C C 181.387 0.000 1 412 85 85 THR CA C 64.120 0.000 1 413 85 85 THR CB C 69.852 0.000 1 414 85 85 THR N N 112.708 0.031 1 415 86 86 GLU H H 8.231 0.003 1 416 86 86 GLU C C 176.603 0.000 1 417 86 86 GLU CA C 59.246 0.000 1 418 86 86 GLU CB C 28.416 0.000 1 419 86 86 GLU N N 120.310 0.000 1 420 87 87 LYS H H 7.368 0.001 1 421 87 87 LYS C C 177.267 0.000 1 422 87 87 LYS CA C 56.817 0.000 1 423 87 87 LYS CB C 32.048 0.000 1 424 87 87 LYS N N 115.617 0.030 1 425 88 88 HIS H H 6.839 0.002 1 426 88 88 HIS C C 174.087 0.000 1 427 88 88 HIS CA C 55.170 0.000 1 428 88 88 HIS CB C 29.711 0.000 1 429 88 88 HIS N N 114.043 0.000 1 430 89 89 VAL H H 7.105 0.002 1 431 89 89 VAL C C 175.853 0.000 1 432 89 89 VAL CA C 64.608 0.000 1 433 89 89 VAL CB C 31.958 0.000 1 434 89 89 VAL N N 119.516 0.011 1 435 90 90 ASP H H 8.330 0.002 1 436 90 90 ASP C C 177.582 0.000 1 437 90 90 ASP CA C 56.522 0.000 1 438 90 90 ASP CB C 40.383 0.000 1 439 90 90 ASP N N 115.416 0.018 1 440 91 91 THR H H 7.489 0.002 1 441 91 91 THR C C 176.798 0.000 1 442 91 91 THR CA C 62.291 0.000 1 443 91 91 THR CB C 70.741 0.000 1 444 91 91 THR N N 107.923 0.000 1 445 92 92 GLY H H 8.186 0.002 1 446 92 92 GLY C C 172.808 0.000 1 447 92 92 GLY CA C 45.435 0.000 1 448 92 92 GLY N N 112.834 0.022 1 449 93 93 MET H H 8.421 0.002 1 450 93 93 MET C C 175.191 0.000 1 451 93 93 MET CA C 55.151 0.000 1 452 93 93 MET CB C 40.032 0.000 1 453 93 93 MET N N 115.279 0.023 1 454 94 94 THR H H 9.223 0.002 1 455 94 94 THR C C 175.995 0.000 1 456 94 94 THR CA C 60.605 0.000 1 457 94 94 THR CB C 70.520 0.000 1 458 94 94 THR N N 112.828 0.003 1 459 95 95 LEU H H 7.936 0.002 1 460 95 95 LEU C C 178.235 0.000 1 461 95 95 LEU CA C 58.666 0.000 1 462 95 95 LEU CB C 42.470 0.000 1 463 95 95 LEU N N 120.310 0.000 1 464 96 96 LYS H H 8.618 0.002 1 465 96 96 LYS C C 177.619 0.000 1 466 96 96 LYS CA C 60.586 0.000 1 467 96 96 LYS CB C 33.216 0.000 1 468 96 96 LYS N N 118.727 0.022 1 469 97 97 GLU H H 7.667 0.002 1 470 97 97 GLU C C 180.779 0.000 1 471 97 97 GLU CA C 58.460 0.000 1 472 97 97 GLU CB C 29.837 0.000 1 473 97 97 GLU N N 117.644 0.000 1 474 98 98 LEU H H 8.845 0.003 1 475 98 98 LEU C C 177.653 0.000 1 476 98 98 LEU CA C 57.945 0.000 1 477 98 98 LEU CB C 41.725 0.000 1 478 98 98 LEU N N 122.378 0.034 1 479 99 99 ALA H H 8.212 0.002 1 480 99 99 ALA C C 177.599 0.000 1 481 99 99 ALA CA C 55.177 0.000 1 482 99 99 ALA CB C 16.928 0.000 1 483 99 99 ALA N N 124.246 0.024 1 484 100 100 ASP H H 7.148 0.002 1 485 100 100 ASP C C 177.101 0.000 1 486 100 100 ASP CA C 57.283 0.000 1 487 100 100 ASP CB C 42.665 0.000 1 488 100 100 ASP N N 117.346 0.022 1 489 101 101 ALA H H 7.769 0.002 1 490 101 101 ALA C C 181.193 0.000 1 491 101 101 ALA CA C 55.465 0.000 1 492 101 101 ALA CB C 18.266 0.000 1 493 101 101 ALA N N 118.579 0.000 1 494 102 102 SER H H 8.599 0.005 1 495 102 102 SER C C 177.184 0.000 1 496 102 102 SER CA C 60.914 0.000 1 497 102 102 SER CB C 64.178 0.000 1 498 102 102 SER N N 113.671 0.204 1 499 103 103 LEU H H 8.218 0.002 1 500 103 103 LEU C C 179.811 0.000 1 501 103 103 LEU CA C 57.737 0.000 1 502 103 103 LEU CB C 40.980 0.000 1 503 103 103 LEU N N 113.847 0.033 1 504 104 104 ARG H H 9.076 0.003 1 505 104 104 ARG C C 177.212 0.000 1 506 104 104 ARG CA C 58.927 0.000 1 507 104 104 ARG CB C 29.451 0.000 1 508 104 104 ARG N N 114.750 0.000 1 509 105 105 TYR H H 7.248 0.003 1 510 105 105 TYR C C 174.861 0.000 1 511 105 105 TYR CA C 58.062 0.000 1 512 105 105 TYR CB C 39.708 0.000 1 513 105 105 TYR N N 112.622 0.022 1 514 106 106 SER H H 7.482 0.003 1 515 106 106 SER C C 174.972 0.000 1 516 106 106 SER CA C 58.412 0.000 1 517 106 106 SER CB C 64.474 0.000 1 518 106 106 SER N N 119.495 0.000 1 519 107 107 ASP H H 7.434 0.001 1 520 107 107 ASP C C 176.520 0.000 1 521 107 107 ASP CA C 56.146 0.000 1 522 107 107 ASP CB C 44.053 0.000 1 523 107 107 ASP N N 120.213 0.026 1 524 108 108 ASN H H 8.815 0.002 1 525 108 108 ASN C C 178.069 0.000 1 526 108 108 ASN CA C 55.878 0.000 1 527 108 108 ASN CB C 38.988 0.000 1 528 108 108 ASN N N 127.043 0.034 1 529 109 109 THR H H 7.679 0.002 1 530 109 109 THR C C 176.319 0.000 1 531 109 109 THR CA C 68.008 0.000 1 532 109 109 THR CB C 67.043 0.000 1 533 109 109 THR N N 120.091 0.015 1 534 110 110 ALA H H 8.366 0.002 1 535 110 110 ALA C C 178.014 0.000 1 536 110 110 ALA CA C 55.608 0.000 1 537 110 110 ALA CB C 18.723 0.000 1 538 110 110 ALA N N 123.490 0.028 1 539 111 111 GLN H H 7.096 0.003 1 540 111 111 GLN C C 176.465 0.000 1 541 111 111 GLN CA C 57.572 0.000 1 542 111 111 GLN CB C 27.218 0.000 1 543 111 111 GLN N N 114.731 0.029 1 544 112 112 ASN H H 7.634 0.002 1 545 112 112 ASN C C 178.124 0.000 1 546 112 112 ASN CA C 56.025 0.000 1 547 112 112 ASN CB C 36.978 0.000 1 548 112 112 ASN N N 120.366 0.000 1 549 113 113 LEU H H 8.674 0.003 1 550 113 113 LEU C C 180.419 0.000 1 551 113 113 LEU CA C 58.152 0.000 1 552 113 113 LEU CB C 41.939 0.000 1 553 113 113 LEU N N 120.052 0.000 1 554 114 114 ILE H H 8.269 0.003 1 555 114 114 ILE C C 177.792 0.000 1 556 114 114 ILE CA C 66.558 0.000 1 557 114 114 ILE CB C 37.536 0.000 1 558 114 114 ILE N N 120.447 0.000 1 559 115 115 LEU H H 8.961 0.002 1 560 115 115 LEU C C 180.253 0.000 1 561 115 115 LEU CA C 57.459 0.000 1 562 115 115 LEU CB C 42.735 0.000 1 563 115 115 LEU N N 120.038 0.000 1 564 116 116 LYS H H 8.438 0.002 1 565 116 116 LYS C C 179.949 0.000 1 566 116 116 LYS CA C 60.306 0.000 1 567 116 116 LYS CB C 32.352 0.000 1 568 116 116 LYS N N 118.653 0.024 1 569 117 117 GLN H H 7.746 0.002 1 570 117 117 GLN C C 177.931 0.000 1 571 117 117 GLN CA C 57.609 0.000 1 572 117 117 GLN CB C 27.683 0.000 1 573 117 117 GLN N N 118.186 0.029 1 574 118 118 ILE H H 7.484 0.002 1 575 118 118 ILE C C 175.470 0.000 1 576 118 118 ILE CA C 61.314 0.000 1 577 118 118 ILE CB C 38.710 0.000 1 578 118 118 ILE N N 110.315 0.023 1 579 119 119 GLY H H 7.495 0.002 1 580 119 119 GLY C C 175.387 0.000 1 581 119 119 GLY CA C 45.161 0.000 1 582 119 119 GLY N N 106.634 0.000 1 583 120 120 GLY H H 8.557 0.004 1 584 120 120 GLY C C 171.239 0.000 1 585 120 120 GLY CA C 44.714 0.000 1 586 120 120 GLY N N 108.929 0.027 1 587 121 121 PRO C C 176.582 0.000 1 588 121 121 PRO CA C 66.080 0.000 1 589 121 121 PRO CB C 31.328 0.000 1 590 122 122 GLU H H 8.892 0.002 1 591 122 122 GLU C C 179.507 0.000 1 592 122 122 GLU CA C 59.410 0.000 1 593 122 122 GLU CB C 28.959 0.000 1 594 122 122 GLU N N 116.081 0.000 1 595 123 123 SER H H 7.046 0.002 1 596 123 123 SER C C 176.107 0.000 1 597 123 123 SER CA C 61.131 0.000 1 598 123 123 SER CB C 63.260 0.000 1 599 123 123 SER N N 115.587 0.003 1 600 124 124 LEU H H 7.840 0.002 1 601 124 124 LEU C C 177.293 0.000 1 602 124 124 LEU CA C 58.416 0.000 1 603 124 124 LEU CB C 40.930 0.000 1 604 124 124 LEU N N 121.012 0.009 1 605 125 125 LYS H H 8.474 0.002 1 606 125 125 LYS C C 177.184 0.000 1 607 125 125 LYS CA C 60.918 0.000 1 608 125 125 LYS CB C 32.203 0.000 1 609 125 125 LYS N N 117.760 0.024 1 610 126 126 LYS H H 7.688 0.002 1 611 126 126 LYS C C 179.783 0.000 1 612 126 126 LYS CA C 60.066 0.000 1 613 126 126 LYS CB C 32.357 0.000 1 614 126 126 LYS N N 117.172 0.000 1 615 127 127 GLU H H 8.297 0.001 1 616 127 127 GLU C C 179.811 0.000 1 617 127 127 GLU CA C 58.364 0.000 1 618 127 127 GLU CB C 29.171 0.000 1 619 127 127 GLU N N 118.103 0.023 1 620 128 128 LEU H H 8.355 0.002 1 621 128 128 LEU C C 179.617 0.000 1 622 128 128 LEU CA C 57.248 0.000 1 623 128 128 LEU CB C 39.605 0.000 1 624 128 128 LEU N N 120.508 0.003 1 625 129 129 ARG H H 8.581 0.002 1 626 129 129 ARG C C 181.608 0.000 1 627 129 129 ARG CA C 58.148 0.000 1 628 129 129 ARG CB C 28.545 0.000 1 629 129 129 ARG N N 120.097 0.022 1 630 130 130 LYS H H 7.678 0.002 1 631 130 130 LYS C C 178.788 0.000 1 632 130 130 LYS CA C 59.490 0.000 1 633 130 130 LYS CB C 32.726 0.000 1 634 130 130 LYS N N 118.917 0.020 1 635 131 131 ILE H H 7.236 0.002 1 636 131 131 ILE C C 175.718 0.000 1 637 131 131 ILE CA C 61.244 0.000 1 638 131 131 ILE CB C 38.406 0.000 1 639 131 131 ILE N N 110.615 0.000 1 640 132 132 GLY H H 7.624 0.002 1 641 132 132 GLY C C 173.147 0.000 1 642 132 132 GLY CA C 44.847 0.000 1 643 132 132 GLY N N 108.316 0.027 1 644 133 133 ASP H H 7.833 0.002 1 645 133 133 ASP C C 175.793 0.000 1 646 133 133 ASP CA C 52.643 0.000 1 647 133 133 ASP CB C 39.497 0.000 1 648 133 133 ASP N N 121.042 0.000 1 649 134 134 GLU H H 8.501 0.003 1 650 134 134 GLU C C 175.857 0.000 1 651 134 134 GLU CA C 55.779 0.000 1 652 134 134 GLU CB C 30.157 0.000 1 653 134 134 GLU N N 123.768 0.000 1 654 135 135 VAL H H 8.733 0.003 1 655 135 135 VAL C C 176.161 0.000 1 656 135 135 VAL CA C 64.188 0.000 1 657 135 135 VAL CB C 34.844 0.000 1 658 135 135 VAL N N 123.318 0.000 1 659 136 136 THR H H 9.853 0.003 1 660 136 136 THR C C 176.213 0.000 1 661 136 136 THR CA C 65.109 0.000 1 662 136 136 THR CB C 66.550 0.000 1 663 136 136 THR N N 123.199 0.000 1 664 137 137 ASN H H 8.653 0.004 1 665 137 137 ASN C C 171.322 0.000 1 666 137 137 ASN CA C 50.762 0.000 1 667 137 137 ASN CB C 40.007 0.000 1 668 137 137 ASN N N 124.414 0.000 1 669 138 138 PRO C C 175.142 0.000 1 670 138 138 PRO CA C 63.725 0.000 1 671 138 138 PRO CB C 31.504 0.000 1 672 139 139 GLU H H 9.719 0.003 1 673 139 139 GLU C C 176.410 0.000 1 674 139 139 GLU CA C 57.624 0.000 1 675 139 139 GLU CB C 34.470 0.000 1 676 139 139 GLU N N 123.826 0.023 1 677 140 140 ARG H H 8.654 0.002 1 678 140 140 ARG C C 174.889 0.000 1 679 140 140 ARG CA C 55.544 0.000 1 680 140 140 ARG CB C 34.465 0.000 1 681 140 140 ARG N N 120.363 0.027 1 682 141 141 PHE H H 8.362 0.003 1 683 141 141 PHE C C 176.880 0.000 1 684 141 141 PHE CA C 57.960 0.000 1 685 141 141 PHE CB C 39.820 0.000 1 686 141 141 PHE N N 116.036 0.027 1 687 142 142 GLU H H 9.682 0.005 1 688 142 142 GLU C C 177.903 0.000 1 689 142 142 GLU CA C 55.305 0.000 1 690 142 142 GLU CB C 28.987 0.000 1 691 142 142 GLU N N 116.461 0.058 1 692 143 143 PRO C C 177.977 0.000 1 693 143 143 PRO CA C 63.476 0.000 1 694 143 143 PRO CB C 33.513 0.000 1 695 144 144 GLU H H 9.142 0.002 1 696 144 144 GLU C C 177.488 0.000 1 697 144 144 GLU CA C 61.064 0.000 1 698 144 144 GLU CB C 28.730 0.000 1 699 144 144 GLU N N 129.014 0.036 1 700 145 145 LEU H H 7.993 0.002 1 701 145 145 LEU C C 175.304 0.000 1 702 145 145 LEU CA C 57.405 0.000 1 703 145 145 LEU CB C 40.619 0.000 1 704 145 145 LEU N N 114.574 0.080 1 705 146 146 ASN H H 7.474 0.002 1 706 146 146 ASN C C 174.972 0.000 1 707 146 146 ASN CA C 55.231 0.000 1 708 146 146 ASN CB C 40.681 0.000 1 709 146 146 ASN N N 114.819 0.023 1 710 147 147 GLU H H 7.985 0.002 1 711 147 147 GLU C C 174.430 0.000 1 712 147 147 GLU CA C 55.522 0.000 1 713 147 147 GLU CB C 28.845 0.000 1 714 147 147 GLU N N 121.298 0.019 1 715 148 148 VAL H H 7.920 0.003 1 716 148 148 VAL C C 175.027 0.000 1 717 148 148 VAL CA C 61.831 0.000 1 718 148 148 VAL CB C 34.852 0.000 1 719 148 148 VAL N N 129.632 0.040 1 720 149 149 ASN H H 8.482 0.002 1 721 149 149 ASN C C 172.355 0.000 1 722 149 149 ASN CA C 51.074 0.000 1 723 149 149 ASN CB C 37.985 0.000 1 724 149 149 ASN N N 125.439 0.031 1 725 150 150 PRO C C 177.310 0.000 1 726 150 150 PRO CA C 64.388 0.000 1 727 150 150 PRO CB C 31.271 0.000 1 728 151 151 GLY H H 8.462 0.003 1 729 151 151 GLY C C 174.612 0.000 1 730 151 151 GLY CA C 44.986 0.000 1 731 151 151 GLY N N 113.589 0.157 1 732 152 152 GLU H H 7.877 0.001 1 733 152 152 GLU C C 177.046 0.000 1 734 152 152 GLU CA C 55.901 0.000 1 735 152 152 GLU CB C 30.073 0.000 1 736 152 152 GLU N N 120.354 0.000 1 737 153 153 THR H H 8.280 0.003 1 738 153 153 THR C C 178.290 0.000 1 739 153 153 THR CA C 61.078 0.000 1 740 153 153 THR CB C 69.581 0.000 1 741 153 153 THR N N 105.857 0.025 1 742 154 154 GLN H H 8.596 0.002 1 743 154 154 GLN C C 172.677 0.000 1 744 154 154 GLN CA C 57.021 0.000 1 745 154 154 GLN CB C 27.004 0.000 1 746 154 154 GLN N N 130.719 0.037 1 747 155 155 ASP H H 8.369 0.002 1 748 155 155 ASP C C 175.248 0.000 1 749 155 155 ASP CA C 55.471 0.000 1 750 155 155 ASP CB C 41.011 0.000 1 751 155 155 ASP N N 113.255 0.032 1 752 156 156 THR H H 6.759 0.002 1 753 156 156 THR C C 175.442 0.000 1 754 156 156 THR CA C 58.894 0.000 1 755 156 156 THR CB C 74.871 0.000 1 756 156 156 THR N N 100.504 0.000 1 757 157 157 SER H H 8.810 0.002 1 758 157 157 SER C C 172.370 0.000 1 759 157 157 SER CA C 56.859 0.000 1 760 157 157 SER CB C 62.734 0.000 1 761 157 157 SER N N 111.356 0.030 1 762 158 158 THR H H 8.589 0.002 1 763 158 158 THR C C 173.700 0.000 1 764 158 158 THR CA C 58.183 0.000 1 765 158 158 THR CB C 72.106 0.000 1 766 158 158 THR N N 109.552 0.163 1 767 159 159 ALA H H 10.130 0.002 1 768 159 159 ALA C C 178.577 0.000 1 769 159 159 ALA CA C 55.910 0.000 1 770 159 159 ALA CB C 17.354 0.000 1 771 159 159 ALA N N 125.753 0.023 1 772 160 160 ARG H H 8.338 0.002 1 773 160 160 ARG C C 178.934 0.000 1 774 160 160 ARG CA C 59.095 0.000 1 775 160 160 ARG CB C 31.075 0.000 1 776 160 160 ARG N N 115.553 0.018 1 777 161 161 ALA H H 7.899 0.002 1 778 161 161 ALA C C 179.463 0.000 1 779 161 161 ALA CA C 55.334 0.000 1 780 161 161 ALA CB C 18.630 0.000 1 781 161 161 ALA N N 123.227 0.027 1 782 162 162 LEU H H 8.443 0.002 1 783 162 162 LEU C C 179.258 0.000 1 784 162 162 LEU CA C 58.365 0.000 1 785 162 162 LEU CB C 42.959 0.000 1 786 162 162 LEU N N 116.260 0.000 1 787 163 163 ALA H H 7.905 0.003 1 788 163 163 ALA C C 178.964 0.000 1 789 163 163 ALA CA C 55.563 0.000 1 790 163 163 ALA CB C 19.639 0.000 1 791 163 163 ALA N N 117.224 0.003 1 792 164 164 THR H H 7.814 0.002 1 793 164 164 THR C C 177.480 0.000 1 794 164 164 THR CA C 66.722 0.000 1 795 164 164 THR CB C 68.670 0.000 1 796 164 164 THR N N 112.460 0.012 1 797 165 165 SER H H 8.831 0.002 1 798 165 165 SER C C 174.624 0.000 1 799 165 165 SER CA C 62.681 0.000 1 800 165 165 SER CB C 68.570 0.000 1 801 165 165 SER N N 122.417 0.000 1 802 166 166 LEU H H 8.255 0.002 1 803 166 166 LEU C C 177.964 0.000 1 804 166 166 LEU CA C 58.574 0.000 1 805 166 166 LEU CB C 41.075 0.000 1 806 166 166 LEU N N 122.004 0.023 1 807 167 167 GLN H H 8.480 0.002 1 808 167 167 GLN C C 177.378 0.000 1 809 167 167 GLN CA C 59.644 0.000 1 810 167 167 GLN CB C 28.190 0.000 1 811 167 167 GLN N N 118.937 0.000 1 812 168 168 ALA H H 7.843 0.002 1 813 168 168 ALA C C 177.903 0.000 1 814 168 168 ALA CA C 55.060 0.000 1 815 168 168 ALA CB C 18.125 0.000 1 816 168 168 ALA N N 121.594 0.000 1 817 169 169 PHE H H 7.046 0.002 1 818 169 169 PHE C C 176.023 0.000 1 819 169 169 PHE CA C 60.923 0.000 1 820 169 169 PHE CB C 40.452 0.000 1 821 169 169 PHE N N 109.331 0.127 1 822 170 170 ALA H H 8.640 0.002 1 823 170 170 ALA C C 177.212 0.000 1 824 170 170 ALA CA C 54.164 0.000 1 825 170 170 ALA CB C 20.286 0.000 1 826 170 170 ALA N N 115.176 0.101 1 827 171 171 LEU H H 8.317 0.002 1 828 171 171 LEU C C 177.625 0.000 1 829 171 171 LEU CA C 54.522 0.000 1 830 171 171 LEU CB C 45.090 0.000 1 831 171 171 LEU N N 111.882 0.030 1 832 172 172 GLU H H 7.020 0.002 1 833 172 172 GLU C C 175.221 0.000 1 834 172 172 GLU CA C 55.362 0.000 1 835 172 172 GLU CB C 29.480 0.000 1 836 172 172 GLU N N 118.309 0.000 1 837 173 173 ASP H H 8.227 0.002 1 838 173 173 ASP C C 176.748 0.000 1 839 173 173 ASP CA C 54.086 0.000 1 840 173 173 ASP CB C 39.880 0.000 1 841 173 173 ASP N N 117.201 0.018 1 842 174 174 LYS H H 7.103 0.002 1 843 174 174 LYS C C 176.897 0.000 1 844 174 174 LYS CA C 58.178 0.000 1 845 174 174 LYS CB C 31.254 0.000 1 846 174 174 LYS N N 119.367 0.106 1 847 175 175 LEU H H 8.678 0.002 1 848 175 175 LEU C C 174.188 0.000 1 849 175 175 LEU CA C 51.395 0.000 1 850 175 175 LEU CB C 44.464 0.000 1 851 175 175 LEU N N 117.974 0.044 1 852 176 176 PRO C C 178.548 0.000 1 853 176 176 PRO CA C 61.994 0.000 1 854 176 176 PRO CB C 32.540 0.000 1 855 177 177 SER H H 9.159 0.002 1 856 177 177 SER C C 175.723 0.000 1 857 177 177 SER CA C 62.580 0.000 1 858 177 177 SER N N 119.610 0.036 1 859 178 178 GLU H H 9.641 0.002 1 860 178 178 GLU C C 178.484 0.000 1 861 178 178 GLU CA C 59.543 0.000 1 862 178 178 GLU CB C 28.315 0.000 1 863 178 178 GLU N N 118.943 0.000 1 864 179 179 LYS H H 7.285 0.002 1 865 179 179 LYS C C 177.212 0.000 1 866 179 179 LYS CA C 59.043 0.000 1 867 179 179 LYS CB C 34.503 0.000 1 868 179 179 LYS N N 116.332 0.045 1 869 180 180 ARG H H 8.088 0.002 1 870 180 180 ARG C C 178.179 0.000 1 871 180 180 ARG CA C 60.545 0.000 1 872 180 180 ARG CB C 30.708 0.000 1 873 180 180 ARG N N 120.650 0.000 1 874 181 181 GLU H H 8.111 0.002 1 875 181 181 GLU C C 178.926 0.000 1 876 181 181 GLU CA C 59.042 0.000 1 877 181 181 GLU CB C 29.382 0.000 1 878 181 181 GLU N N 114.160 0.000 1 879 182 182 LEU H H 6.719 0.002 1 880 182 182 LEU C C 176.963 0.000 1 881 182 182 LEU CA C 57.189 0.000 1 882 182 182 LEU CB C 41.292 0.000 1 883 182 182 LEU N N 119.073 0.000 1 884 183 183 LEU H H 6.935 0.002 1 885 183 183 LEU C C 177.903 0.000 1 886 183 183 LEU CA C 58.457 0.000 1 887 183 183 LEU CB C 42.234 0.000 1 888 183 183 LEU N N 117.502 0.000 1 889 184 184 ILE H H 8.325 0.001 1 890 184 184 ILE C C 176.995 0.000 1 891 184 184 ILE CA C 64.984 0.000 1 892 184 184 ILE CB C 37.839 0.000 1 893 184 184 ILE N N 115.243 0.063 1 894 185 185 ASP H H 7.863 0.002 1 895 185 185 ASP C C 178.138 0.000 1 896 185 185 ASP CA C 58.160 0.000 1 897 185 185 ASP CB C 41.723 0.000 1 898 185 185 ASP N N 119.533 0.020 1 899 186 186 TRP H H 7.957 0.002 1 900 186 186 TRP C C 177.848 0.000 1 901 186 186 TRP CA C 61.554 0.000 1 902 186 186 TRP CB C 29.826 0.000 1 903 186 186 TRP N N 116.365 0.033 1 904 187 187 MET H H 7.907 0.003 1 905 187 187 MET C C 181.995 0.000 1 906 187 187 MET CA C 59.144 0.000 1 907 187 187 MET CB C 35.291 0.000 1 908 187 187 MET N N 113.122 0.000 1 909 188 188 LYS H H 9.514 0.002 1 910 188 188 LYS C C 179.313 0.000 1 911 188 188 LYS CA C 60.167 0.000 1 912 188 188 LYS CB C 33.268 0.000 1 913 188 188 LYS N N 123.658 0.027 1 914 189 189 ARG H H 7.513 0.001 1 915 189 189 ARG C C 175.691 0.000 1 916 189 189 ARG CA C 55.623 0.000 1 917 189 189 ARG CB C 29.004 0.000 1 918 189 189 ARG N N 116.560 0.077 1 919 190 190 ASN H H 7.225 0.003 1 920 190 190 ASN C C 176.686 0.000 1 921 190 190 ASN CA C 55.673 0.000 1 922 190 190 ASN CB C 39.566 0.000 1 923 190 190 ASN N N 119.261 0.000 1 924 191 191 THR H H 8.503 0.002 1 925 191 191 THR C C 177.792 0.000 1 926 191 191 THR CA C 62.817 0.000 1 927 191 191 THR CB C 70.786 0.000 1 928 191 191 THR N N 118.022 0.003 1 929 192 192 THR H H 7.536 0.002 1 930 192 192 THR C C 175.995 0.000 1 931 192 192 THR CA C 63.070 0.000 1 932 192 192 THR CB C 69.669 0.000 1 933 192 192 THR N N 110.865 0.000 1 934 193 193 GLY H H 8.971 0.004 1 935 193 193 GLY C C 176.769 0.000 1 936 193 193 GLY CA C 46.035 0.000 1 937 193 193 GLY N N 112.391 0.000 1 938 194 194 ASP H H 8.862 0.003 1 939 194 194 ASP C C 175.912 0.000 1 940 194 194 ASP CA C 58.438 0.000 1 941 194 194 ASP CB C 39.532 0.000 1 942 194 194 ASP N N 124.056 0.000 1 943 195 195 ALA H H 8.325 0.002 1 944 195 195 ALA C C 176.161 0.000 1 945 195 195 ALA CA C 51.796 0.000 1 946 195 195 ALA CB C 19.594 0.000 1 947 195 195 ALA N N 117.362 0.029 1 948 196 196 LEU H H 6.792 0.002 1 949 196 196 LEU C C 175.608 0.000 1 950 196 196 LEU CA C 54.260 0.000 1 951 196 196 LEU CB C 41.379 0.000 1 952 196 196 LEU N N 118.505 0.021 1 953 197 197 ILE H H 7.913 0.003 1 954 197 197 ILE C C 179.203 0.000 1 955 197 197 ILE CA C 65.660 0.000 1 956 197 197 ILE CB C 37.436 0.000 1 957 197 197 ILE N N 127.320 0.025 1 958 198 198 ARG H H 8.975 0.002 1 959 198 198 ARG C C 176.714 0.000 1 960 198 198 ARG CA C 59.849 0.000 1 961 198 198 ARG CB C 30.643 0.000 1 962 198 198 ARG N N 116.105 0.001 1 963 199 199 ALA H H 7.115 0.003 1 964 199 199 ALA C C 178.401 0.000 1 965 199 199 ALA CA C 52.690 0.000 1 966 199 199 ALA CB C 17.914 0.000 1 967 199 199 ALA N N 118.228 0.024 1 968 200 200 GLY H H 8.180 0.002 1 969 200 200 GLY C C 172.119 0.000 1 970 200 200 GLY CA C 44.925 0.000 1 971 200 200 GLY N N 106.252 0.000 1 972 201 201 VAL H H 6.619 0.001 1 973 201 201 VAL C C 172.843 0.000 1 974 201 201 VAL CA C 57.586 0.000 1 975 201 201 VAL CB C 31.289 0.000 1 976 201 201 VAL N N 110.464 0.000 1 977 202 202 PRO C C 175.408 0.000 1 978 202 202 PRO CA C 61.802 0.000 1 979 202 202 PRO CB C 31.781 0.000 1 980 203 203 GLU H H 8.201 0.002 1 981 203 203 GLU C C 177.697 0.000 1 982 203 203 GLU CA C 57.913 0.000 1 983 203 203 GLU CB C 29.570 0.000 1 984 203 203 GLU N N 120.530 0.029 1 985 204 204 GLY H H 8.838 0.002 1 986 204 204 GLY C C 174.778 0.000 1 987 204 204 GLY CA C 45.143 0.000 1 988 204 204 GLY N N 112.152 0.030 1 989 205 205 TRP H H 7.796 0.002 1 990 205 205 TRP C C 175.818 0.000 1 991 205 205 TRP CA C 57.542 0.000 1 992 205 205 TRP CB C 27.882 0.000 1 993 205 205 TRP N N 122.161 0.025 1 994 206 206 GLU H H 8.493 0.004 1 995 206 206 GLU C C 175.829 0.000 1 996 206 206 GLU CA C 56.415 0.000 1 997 206 206 GLU CB C 32.646 0.000 1 998 206 206 GLU N N 123.251 0.000 1 999 207 207 VAL H H 8.784 0.002 1 1000 207 207 VAL C C 173.451 0.000 1 1001 207 207 VAL CA C 61.669 0.000 1 1002 207 207 VAL CB C 36.032 0.000 1 1003 207 207 VAL N N 122.011 0.026 1 1004 208 208 ALA H H 9.378 0.003 1 1005 208 208 ALA C C 175.387 0.000 1 1006 208 208 ALA CA C 50.109 0.000 1 1007 208 208 ALA CB C 21.459 0.000 1 1008 208 208 ALA N N 129.598 0.027 1 1009 209 209 ASP H H 8.034 0.003 1 1010 209 209 ASP C C 172.013 0.000 1 1011 209 209 ASP CA C 52.824 0.000 1 1012 209 209 ASP CB C 45.276 0.000 1 1013 209 209 ASP N N 121.115 0.000 1 1014 210 210 LYS H H 8.746 0.003 1 1015 210 210 LYS C C 173.617 0.000 1 1016 210 210 LYS CA C 55.644 0.000 1 1017 210 210 LYS CB C 34.321 0.000 1 1018 210 210 LYS N N 116.103 0.000 1 1019 211 211 THR H H 6.112 0.004 1 1020 211 211 THR C C 176.520 0.000 1 1021 211 211 THR CA C 61.340 0.000 1 1022 211 211 THR CB C 71.652 0.000 1 1023 211 211 THR N N 113.984 0.048 1 1024 212 212 GLY H H 8.571 0.001 1 1025 212 212 GLY C C 171.571 0.000 1 1026 212 212 GLY CA C 47.698 0.000 1 1027 212 212 GLY N N 103.512 0.000 1 1028 214 214 GLY H H 8.700 0.004 1 1029 214 214 GLY C C 173.313 0.000 1 1030 214 214 GLY CA C 44.753 0.000 1 1031 214 214 GLY N N 107.698 0.064 1 1032 215 215 SER H H 8.151 0.003 1 1033 215 215 SER C C 174.051 0.000 1 1034 215 215 SER CA C 59.496 0.000 1 1035 215 215 SER CB C 63.788 0.000 1 1036 215 215 SER N N 114.766 0.000 1 1037 216 216 TYR H H 8.909 0.003 1 1038 216 216 TYR C C 175.586 0.000 1 1039 216 216 TYR CA C 59.286 0.000 1 1040 216 216 TYR CB C 33.751 0.000 1 1041 216 216 TYR N N 116.351 0.007 1 1042 217 217 GLY H H 8.924 0.003 1 1043 217 217 GLY C C 173.285 0.000 1 1044 217 217 GLY CA C 47.927 0.000 1 1045 217 217 GLY N N 104.591 0.000 1 1046 218 218 THR H H 7.319 0.003 1 1047 218 218 THR C C 174.364 0.000 1 1048 218 218 THR CA C 63.964 0.000 1 1049 218 218 THR CB C 69.911 0.000 1 1050 218 218 THR N N 117.288 0.000 1 1051 219 219 ARG H H 8.065 0.002 1 1052 219 219 ARG C C 172.428 0.000 1 1053 219 219 ARG CA C 53.849 0.000 1 1054 219 219 ARG CB C 32.254 0.000 1 1055 219 219 ARG N N 127.466 0.032 1 1056 220 220 ASN H H 8.457 0.003 1 1057 220 220 ASN C C 175.135 0.000 1 1058 220 220 ASN CA C 50.473 0.000 1 1059 220 220 ASN CB C 45.770 0.000 1 1060 220 220 ASN N N 122.751 0.000 1 1061 221 221 ASP H H 9.382 0.003 1 1062 221 221 ASP C C 173.064 0.000 1 1063 221 221 ASP CA C 54.098 0.000 1 1064 221 221 ASP CB C 43.461 0.000 1 1065 221 221 ASP N N 119.135 0.021 1 1066 222 222 ILE H H 8.099 0.002 1 1067 222 222 ILE C C 174.034 0.000 1 1068 222 222 ILE CA C 58.667 0.000 1 1069 222 222 ILE CB C 40.326 0.000 1 1070 222 222 ILE N N 117.979 0.057 1 1071 223 223 ALA H H 9.646 0.002 1 1072 223 223 ALA C C 175.110 0.000 1 1073 223 223 ALA CA C 51.479 0.000 1 1074 223 223 ALA CB C 26.276 0.000 1 1075 223 223 ALA N N 123.670 0.032 1 1076 224 224 ILE H H 8.665 0.003 1 1077 224 224 ILE C C 174.170 0.000 1 1078 224 224 ILE CA C 59.861 0.000 1 1079 224 224 ILE CB C 39.260 0.000 1 1080 224 224 ILE N N 117.579 0.000 1 1081 225 225 ILE H H 9.074 0.002 1 1082 225 225 ILE C C 174.281 0.000 1 1083 225 225 ILE CA C 58.905 0.000 1 1084 225 225 ILE CB C 41.671 0.000 1 1085 225 225 ILE N N 123.028 0.000 1 1086 226 226 TRP H H 9.613 0.003 1 1087 226 226 TRP C C 173.949 0.000 1 1088 226 226 TRP CA C 56.133 0.000 1 1089 226 226 TRP CB C 31.060 0.000 1 1090 226 226 TRP N N 126.154 0.034 1 1091 228 228 PRO C C 177.270 0.000 1 1092 228 228 PRO CA C 64.416 0.000 1 1093 228 228 PRO CB C 31.321 0.000 1 1094 229 229 LYS H H 7.949 0.003 1 1095 229 229 LYS C C 175.668 0.000 1 1096 229 229 LYS CA C 56.125 0.000 1 1097 229 229 LYS CB C 32.386 0.000 1 1098 229 229 LYS N N 116.389 0.029 1 1099 230 230 GLY H H 7.889 0.002 1 1100 230 230 GLY C C 172.926 0.000 1 1101 230 230 GLY CA C 44.110 0.000 1 1102 230 230 GLY N N 107.873 0.000 1 1103 231 231 ASP H H 7.921 0.002 1 1104 231 231 ASP C C 173.617 0.000 1 1105 231 231 ASP CA C 53.083 0.000 1 1106 231 231 ASP CB C 41.339 0.000 1 1107 231 231 ASP N N 119.812 0.039 1 1108 232 232 PRO C C 176.267 0.000 1 1109 232 232 PRO CA C 62.536 0.000 1 1110 232 232 PRO CB C 31.849 0.000 1 1111 233 233 VAL H H 9.136 0.004 1 1112 233 233 VAL C C 174.695 0.000 1 1113 233 233 VAL CA C 59.820 0.000 1 1114 233 233 VAL CB C 34.813 0.000 1 1115 233 233 VAL N N 123.329 0.000 1 1116 234 234 VAL H H 8.825 0.002 1 1117 234 234 VAL C C 174.004 0.000 1 1118 234 234 VAL CA C 60.464 0.000 1 1119 234 234 VAL CB C 33.357 0.000 1 1120 234 234 VAL N N 126.089 0.000 1 1121 235 235 LEU H H 9.201 0.001 1 1122 235 235 LEU C C 172.815 0.000 1 1123 235 235 LEU CA C 54.209 0.000 1 1124 235 235 LEU CB C 46.648 0.000 1 1125 235 235 LEU N N 126.823 0.033 1 1126 236 236 ALA H H 9.191 0.003 1 1127 236 236 ALA C C 174.198 0.000 1 1128 236 236 ALA CA C 51.263 0.000 1 1129 236 236 ALA CB C 23.243 0.000 1 1130 236 236 ALA N N 126.332 0.000 1 1131 237 237 VAL H H 8.458 0.003 1 1132 237 237 VAL C C 172.456 0.000 1 1133 237 237 VAL CA C 61.496 0.000 1 1134 237 237 VAL CB C 32.797 0.000 1 1135 237 237 VAL N N 120.777 0.000 1 1136 238 238 LEU H H 9.390 0.002 1 1137 238 238 LEU C C 175.241 0.000 1 1138 238 238 LEU CA C 51.667 0.000 1 1139 238 238 LEU CB C 41.616 0.000 1 1140 238 238 LEU N N 127.206 0.020 1 1141 239 239 SER H H 7.816 0.003 1 1142 239 239 SER C C 173.189 0.000 1 1143 239 239 SER CA C 58.059 0.000 1 1144 239 239 SER CB C 68.674 0.000 1 1145 239 239 SER N N 112.434 0.032 1 1146 240 240 SER H H 8.923 0.002 1 1147 240 240 SER C C 172.234 0.000 1 1148 240 240 SER CA C 58.591 0.000 1 1149 240 240 SER CB C 66.395 0.000 1 1150 240 240 SER N N 111.554 0.000 1 1151 241 241 ARG H H 9.179 0.004 1 1152 241 241 ARG C C 176.319 0.000 1 1153 241 241 ARG CA C 55.525 0.000 1 1154 241 241 ARG CB C 32.433 0.000 1 1155 241 241 ARG N N 118.001 0.030 1 1156 242 242 ASP H H 8.378 0.003 1 1157 242 242 ASP C C 176.398 0.000 1 1158 242 242 ASP CA C 55.632 0.000 1 1159 242 242 ASP CB C 41.800 0.000 1 1160 242 242 ASP N N 115.970 0.047 1 1161 243 243 LYS H H 7.180 0.002 1 1162 243 243 LYS C C 177.143 0.000 1 1163 243 243 LYS CA C 54.659 0.000 1 1164 243 243 LYS CB C 35.082 0.000 1 1165 243 243 LYS N N 116.893 0.073 1 1166 244 244 LYS H H 8.631 0.002 1 1167 244 244 LYS C C 177.335 0.000 1 1168 244 244 LYS CA C 59.583 0.000 1 1169 244 244 LYS CB C 32.633 0.000 1 1170 244 244 LYS N N 125.694 0.047 1 1171 245 245 ASP H H 7.834 0.007 1 1172 245 245 ASP C C 175.613 0.000 1 1173 245 245 ASP CA C 52.731 0.000 1 1174 245 245 ASP CB C 39.577 0.014 1 1175 245 245 ASP N N 120.943 0.069 1 1176 246 246 ALA H H 7.238 0.002 1 1177 246 246 ALA C C 177.322 0.000 1 1178 246 246 ALA CA C 52.796 0.000 1 1179 246 246 ALA CB C 20.518 0.000 1 1180 246 246 ALA N N 121.892 0.032 1 1181 247 247 LYS H H 8.374 0.003 1 1182 247 247 LYS C C 176.574 0.000 1 1183 247 247 LYS CA C 55.110 0.000 1 1184 247 247 LYS CB C 33.045 0.000 1 1185 247 247 LYS N N 120.485 0.022 1 1186 248 248 TYR H H 7.104 0.002 1 1187 248 248 TYR C C 174.136 0.000 1 1188 248 248 TYR CA C 55.215 0.000 1 1189 248 248 TYR CB C 40.986 0.000 1 1190 248 248 TYR N N 117.085 0.000 1 1191 249 249 ASP H H 9.200 0.002 1 1192 249 249 ASP C C 176.887 0.000 1 1193 249 249 ASP CA C 52.905 0.000 1 1194 249 249 ASP CB C 43.432 0.000 1 1195 249 249 ASP N N 120.739 0.051 1 1196 250 250 ASP H H 9.021 0.002 1 1197 250 250 ASP C C 177.231 0.000 1 1198 250 250 ASP CA C 58.063 0.000 1 1199 250 250 ASP CB C 41.322 0.000 1 1200 250 250 ASP N N 128.805 0.040 1 1201 251 251 LYS H H 8.646 0.002 1 1202 251 251 LYS C C 177.574 0.000 1 1203 251 251 LYS CA C 58.852 0.000 1 1204 251 251 LYS CB C 32.266 0.000 1 1205 251 251 LYS N N 117.418 0.000 1 1206 252 252 LEU H H 7.042 0.002 1 1207 252 252 LEU C C 177.231 0.000 1 1208 252 252 LEU CA C 57.963 0.000 1 1209 252 252 LEU CB C 40.810 0.000 1 1210 252 252 LEU N N 117.716 0.000 1 1211 253 253 ILE H H 6.980 0.002 1 1212 253 253 ILE C C 179.293 0.000 1 1213 253 253 ILE CA C 62.926 0.000 1 1214 253 253 ILE CB C 35.600 0.000 1 1215 253 253 ILE N N 115.500 0.028 1 1216 254 254 ALA H H 7.326 0.002 1 1217 254 254 ALA C C 179.700 0.000 1 1218 254 254 ALA CA C 56.370 0.000 1 1219 254 254 ALA CB C 18.673 0.000 1 1220 254 254 ALA N N 125.703 0.021 1 1221 255 255 GLU H H 8.738 0.002 1 1222 255 255 GLU C C 180.137 0.000 1 1223 255 255 GLU CA C 58.770 0.000 1 1224 255 255 GLU CB C 29.355 0.000 1 1225 255 255 GLU N N 115.049 0.081 1 1226 256 256 ALA H H 8.543 0.002 1 1227 256 256 ALA C C 179.387 0.000 1 1228 256 256 ALA CA C 55.492 0.000 1 1229 256 256 ALA CB C 18.171 0.000 1 1230 256 256 ALA N N 122.782 0.000 1 1231 257 257 THR H H 7.871 0.002 1 1232 257 257 THR C C 175.358 0.000 1 1233 257 257 THR CA C 68.237 0.000 1 1234 257 257 THR N N 115.324 0.033 1 1235 258 258 LYS H H 7.575 0.002 1 1236 258 258 LYS C C 179.916 0.000 1 1237 258 258 LYS CA C 60.304 0.000 1 1238 258 258 LYS CB C 32.659 0.000 1 1239 258 258 LYS N N 120.481 0.022 1 1240 259 259 VAL H H 7.277 0.002 1 1241 259 259 VAL C C 177.824 0.000 1 1242 259 259 VAL CA C 66.390 0.000 1 1243 259 259 VAL CB C 30.818 0.000 1 1244 259 259 VAL N N 118.924 0.000 1 1245 260 260 VAL H H 7.803 0.002 1 1246 260 260 VAL C C 176.699 0.000 1 1247 260 260 VAL CA C 67.550 0.000 1 1248 260 260 VAL CB C 31.029 0.000 1 1249 260 260 VAL N N 120.298 0.024 1 1250 261 261 VAL H H 8.311 0.003 1 1251 261 261 VAL C C 178.290 0.000 1 1252 261 261 VAL CA C 67.193 0.000 1 1253 261 261 VAL CB C 31.386 0.000 1 1254 261 261 VAL N N 117.507 0.068 1 1255 262 262 LYS H H 7.538 0.002 1 1256 262 262 LYS C C 179.534 0.000 1 1257 262 262 LYS CA C 59.409 0.000 1 1258 262 262 LYS CB C 32.261 0.000 1 1259 262 262 LYS N N 119.066 0.000 1 1260 263 263 ALA H H 8.409 0.002 1 1261 263 263 ALA C C 179.731 0.000 1 1262 263 263 ALA CA C 54.580 0.000 1 1263 263 263 ALA CB C 18.997 0.000 1 1264 263 263 ALA N N 122.626 0.009 1 1265 264 264 LEU H H 7.977 0.002 1 1266 264 264 LEU C C 177.184 0.000 1 1267 264 264 LEU CA C 55.590 0.000 1 1268 264 264 LEU CB C 42.202 0.000 1 1269 264 264 LEU N N 116.198 0.069 1 1270 265 265 ASN H H 7.991 0.003 1 1271 265 265 ASN C C 175.627 0.000 1 1272 265 265 ASN CA C 53.948 0.000 1 1273 265 265 ASN CB C 38.127 0.000 1 1274 265 265 ASN N N 116.988 0.059 1 1275 266 266 MET H H 8.096 0.001 1 1276 266 266 MET C C 176.050 0.000 1 1277 266 266 MET CA C 56.390 0.000 1 1278 266 266 MET CB C 33.313 0.000 1 1279 266 266 MET N N 118.009 0.000 1 1280 267 267 ASN H H 8.498 0.002 1 1281 267 267 ASN C C 175.443 0.000 1 1282 267 267 ASN CA C 53.486 0.000 1 1283 267 267 ASN CB C 39.091 0.000 1 1284 267 267 ASN N N 118.018 0.007 1 1285 268 268 GLY H H 8.252 0.002 1 1286 268 268 GLY C C 173.147 0.000 1 1287 268 268 GLY CA C 45.537 0.000 1 1288 268 268 GLY N N 109.156 0.000 1 1289 269 269 LYS H H 7.759 0.001 1 1290 269 269 LYS C C 181.282 0.000 1 1291 269 269 LYS CA C 57.496 0.000 1 1292 269 269 LYS CB C 33.601 0.000 1 1293 269 269 LYS N N 125.685 0.020 1 stop_ save_