data_18849 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Chemical shift assignments and secondary structure prediction of the C-terminal domain of the response regulator BfmR from Acinetobacter baumannii ; _BMRB_accession_number 18849 _BMRB_flat_file_name bmr18849.str _Entry_type original _Submission_date 2012-11-20 _Accession_date 2012-11-20 _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 Olson Andrew L. . 2 Thompson Richele J. . 3 Melander Christian . . 4 Cavanagh John . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 564 "13C chemical shifts" 420 "15N chemical shifts" 96 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2014-02-17 update BMRB 'update entry citation' 2012-11-26 original author 'original release' stop_ save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title 'Chemical shift assignments and secondary structure prediction of the C-terminal domain of the response regulator BfmR from Acinetobacter baumannii.' _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 23264007 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Olson Andrew L. . 2 Thompson Richele J. . 3 Melander Christian . . 4 Cavanagh John . . stop_ _Journal_abbreviation 'Biomol. NMR Assignments' _Journal_name_full 'Biomolecular NMR assignments' _Journal_volume . _Journal_issue . _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first . _Page_last . _Year 2012 _Details . save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name BfmrC _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label BfmrC $BfmrC stop_ _System_molecular_weight . _System_physical_state native _System_oligomer_state ? _System_paramagnetic no _System_thiol_state . _Database_query_date . _Details . save_ ######################## # Monomeric polymers # ######################## save_BfmrC _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common BfmrC _Molecular_mass . _Mol_thiol_state 'all free' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 117 _Mol_residue_sequence ; EDEVAQRIEFDDLVIDNGGR SVTLNGELVDFTSAEYDLLW LLASNAGRILSREDIFERLR GIEYDGQDRSIDVRISRIRP KIGDDPENPKRIKTVRSKGY LFVKETNGLLEHHHHHH ; loop_ _Residue_seq_code _Residue_author_seq_code _Residue_label 1 129 GLU 2 130 ASP 3 131 GLU 4 132 VAL 5 133 ALA 6 134 GLN 7 135 ARG 8 136 ILE 9 137 GLU 10 138 PHE 11 139 ASP 12 140 ASP 13 141 LEU 14 142 VAL 15 143 ILE 16 144 ASP 17 145 ASN 18 146 GLY 19 147 GLY 20 148 ARG 21 149 SER 22 150 VAL 23 151 THR 24 152 LEU 25 153 ASN 26 154 GLY 27 155 GLU 28 156 LEU 29 157 VAL 30 158 ASP 31 159 PHE 32 160 THR 33 161 SER 34 162 ALA 35 163 GLU 36 164 TYR 37 165 ASP 38 166 LEU 39 167 LEU 40 168 TRP 41 169 LEU 42 170 LEU 43 171 ALA 44 172 SER 45 173 ASN 46 174 ALA 47 175 GLY 48 176 ARG 49 177 ILE 50 178 LEU 51 179 SER 52 180 ARG 53 181 GLU 54 182 ASP 55 183 ILE 56 184 PHE 57 185 GLU 58 186 ARG 59 187 LEU 60 188 ARG 61 189 GLY 62 190 ILE 63 191 GLU 64 192 TYR 65 193 ASP 66 194 GLY 67 195 GLN 68 196 ASP 69 197 ARG 70 198 SER 71 199 ILE 72 200 ASP 73 201 VAL 74 202 ARG 75 203 ILE 76 204 SER 77 205 ARG 78 206 ILE 79 207 ARG 80 208 PRO 81 209 LYS 82 210 ILE 83 211 GLY 84 212 ASP 85 213 ASP 86 214 PRO 87 215 GLU 88 216 ASN 89 217 PRO 90 218 LYS 91 219 ARG 92 220 ILE 93 221 LYS 94 222 THR 95 223 VAL 96 224 ARG 97 225 SER 98 226 LYS 99 227 GLY 100 228 TYR 101 229 LEU 102 230 PHE 103 231 VAL 104 232 LYS 105 233 GLU 106 234 THR 107 235 ASN 108 236 GLY 109 237 LEU 110 238 LEU 111 239 GLU 112 240 HIS 113 241 HIS 114 242 HIS 115 243 HIS 116 244 HIS 117 245 HIS stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2015-10-14 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 DBJ BAN88679 "two-component regulatory system response regulator [Acinetobacter baumannii NCGM 237]" 93.16 238 100.00 100.00 3.20e-69 DBJ BAP35785 "putative two-component response regulator [Acinetobacter guillouiae]" 90.60 237 100.00 100.00 1.12e-66 DBJ BAP67858 "two-component regulatory system response regulator [Acinetobacter baumannii]" 93.16 238 100.00 100.00 3.20e-69 DBJ GAB01456 "transcriptional regulatory protein CpxR [Acinetobacter sp. NBRC 100985]" 93.16 238 98.17 100.00 2.41e-68 DBJ GAB75315 "putative two-component response regulator [Acinetobacter radioresistens DSM 6976 = NBRC 102413 = CIP 103788]" 93.16 238 100.00 100.00 3.49e-69 EMBL CAG67634 "putative response regulator (activator) in two-component regulatory system (OmpR family) [Acinetobacter sp. ADP1]" 93.16 238 100.00 100.00 3.20e-69 EMBL CAM87883 "putative response regulator (activator) in two-component regulatory system (OmpR family) [Acinetobacter baumannii AYE]" 93.16 238 100.00 100.00 3.20e-69 EMBL CAP02024 "putative response regulator (activator) in two-component regulatory system (OmpR family) [Acinetobacter baumannii SDF]" 93.16 238 100.00 100.00 3.20e-69 EMBL CDG76603 "putative response regulator (activator) in two-component regulatory system (OmpR family) protein [Acinetobacter nosocomialis 28" 93.16 238 100.00 100.00 3.20e-69 EMBL CDG77731 "putative response regulator (activator) in two-component regulatory system (OmpR family) protein [Acinetobacter baumannii 107m]" 93.16 238 100.00 100.00 3.20e-69 GB AAX40744 "BfmR [Acinetobacter baumannii]" 93.16 238 100.00 100.00 3.20e-69 GB ABO11188 "two-component regulatory activator (OmpR family) [Acinetobacter baumannii ATCC 17978]" 93.16 238 100.00 100.00 3.20e-69 GB ACC56017 "Response regulator consisting of a CheY-like receiver domain and a winged-helix DNA-binding domain [Acinetobacter baumannii ACI" 93.16 238 100.00 100.00 3.20e-69 GB ACJ40594 "two-component system response regulator protein [Acinetobacter baumannii AB0057]" 93.16 238 100.00 100.00 3.20e-69 GB ACJ59134 "Transcriptional regulatory protein rstA [Acinetobacter baumannii AB307-0294]" 93.16 238 100.00 100.00 3.20e-69 REF WP_000076438 "DNA-binding response regulator [Acinetobacter baumannii]" 93.16 238 100.00 100.00 3.13e-69 REF WP_000076439 "DNA-binding response regulator [Acinetobacter baumannii]" 93.16 238 98.17 99.08 5.38e-68 REF WP_000076440 "MULTISPECIES: DNA-binding response regulator [Acinetobacter]" 93.16 238 100.00 100.00 3.20e-69 REF WP_000076441 "DNA-binding response regulator [Acinetobacter baumannii]" 93.16 238 99.08 100.00 1.45e-68 REF WP_000076442 "DNA-binding response regulator [Acinetobacter baumannii]" 93.16 238 100.00 100.00 2.75e-69 stop_ save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species $BfmrC 'Acinetobacter baumannii' 470 Bacteria . Acinetobacter baumannii 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 $BfmrC 'recombinant technology' . Escherichia coli . pET-16b 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 $BfmrC 1 mM '[U-100% 13C; U-100% 15N]' Tris-HCl 0.025 M 'natural abundance' KCl 0.05 M 'natural abundance' stop_ save_ save_sample_2 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $BfmrC 1 mM '[U-100% 13C]' Tris-HCl 0.025 M 'natural abundance' KCl 0.05 M 'natural abundance' stop_ save_ ############################ # Computer software used # ############################ save_NMRPipe _Saveframe_category software _Name NMRPipe _Version . loop_ _Vendor _Address _Electronic_address 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . stop_ loop_ _Task 'data analysis' stop_ _Details . save_ save_SPARKY _Saveframe_category software _Name SPARKY _Version . loop_ _Vendor _Address _Electronic_address Goddard . . stop_ loop_ _Task 'chemical shift assignment' stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _Field_strength 700 _Details . save_ save_spectrometer_2 _Saveframe_category NMR_spectrometer _Manufacturer Varian _Model INOVA _Field_strength 600 _Details . save_ ############################# # NMR applied experiments # ############################# save_2D_1H-15N_HSQC_1 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N HSQC' _Sample_label $sample_1 save_ save_3D_HNCO_2 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCO' _Sample_label $sample_1 save_ save_3D_HNCACB_3 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCACB' _Sample_label $sample_1 save_ save_3D_C(CO)NH_4 _Saveframe_category NMR_applied_experiment _Experiment_name '3D C(CO)NH' _Sample_label $sample_1 save_ save_3D_CBCA(CO)NH_5 _Saveframe_category NMR_applied_experiment _Experiment_name '3D CBCA(CO)NH' _Sample_label $sample_1 save_ save_3D_HCCH-TOCSY_6 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HCCH-TOCSY' _Sample_label $sample_2 save_ save_3D_H(CCO)NH_7 _Saveframe_category NMR_applied_experiment _Experiment_name '3D H(CCO)NH' _Sample_label $sample_1 save_ save_3D_HBHA(CO)NH_8 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HBHA(CO)NH' _Sample_label $sample_1 save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units 'ionic strength' 0.05 . M pH 6.5 . pH pressure 1 . atm temperature 273 . 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 DSS P 31 'methyl protons' ppm 0.00 na indirect . . . 0.404808636 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chem_shift_list_1 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Experiment_label '2D 1H-15N HSQC' '3D HNCO' '3D HNCACB' '3D C(CO)NH' '3D CBCA(CO)NH' '3D HCCH-TOCSY' '3D H(CCO)NH' '3D HBHA(CO)NH' 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 BfmrC _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 1 130 1 GLU HA H 4.354 0.001 1 2 130 1 GLU HB2 H 1.949 0.001 2 3 130 1 GLU HB3 H 2.087 0.001 2 4 130 1 GLU HG2 H 2.308 0.000 2 5 130 1 GLU HG3 H 2.308 0.000 2 6 130 1 GLU C C 176.076 0.020 1 7 130 1 GLU CA C 56.567 0.000 1 8 130 1 GLU CB C 30.322 0.016 1 9 130 1 GLU CG C 36.250 0.000 1 10 131 2 ASP H H 8.483 0.004 1 11 131 2 ASP HA H 4.570 0.002 1 12 131 2 ASP HB2 H 2.520 0.000 2 13 131 2 ASP HB3 H 2.680 0.000 2 14 131 2 ASP C C 176.209 0.000 1 15 131 2 ASP CA C 54.463 0.000 1 16 131 2 ASP CB C 41.280 0.000 1 17 131 2 ASP N N 122.755 0.038 1 18 132 3 GLU H H 8.395 0.003 1 19 132 3 GLU HA H 4.341 0.000 1 20 132 3 GLU HB2 H 2.001 0.000 2 21 132 3 GLU HB3 H 2.001 0.000 2 22 132 3 GLU HG2 H 2.288 0.000 2 23 132 3 GLU HG3 H 2.288 0.000 2 24 132 3 GLU C C 176.508 0.000 1 25 132 3 GLU CA C 56.584 0.000 1 26 132 3 GLU CB C 30.438 0.000 1 27 132 3 GLU CG C 36.364 0.000 1 28 132 3 GLU N N 122.910 0.128 1 29 133 4 VAL H H 8.206 0.008 1 30 133 4 VAL HA H 4.144 0.008 1 31 133 4 VAL HB H 2.124 0.001 1 32 133 4 VAL HG1 H 0.999 0.007 2 33 133 4 VAL C C 176.075 0.000 1 34 133 4 VAL CA C 62.071 0.136 1 35 133 4 VAL CB C 32.976 0.000 1 36 133 4 VAL CG1 C 21.102 0.030 1 37 133 4 VAL CG2 C 23.182 0.000 1 38 133 4 VAL N N 118.385 0.105 1 39 134 5 ALA H H 8.446 0.003 1 40 134 5 ALA HA H 4.373 0.011 1 41 134 5 ALA HB H 1.458 0.006 1 42 134 5 ALA C C 177.439 0.000 1 43 134 5 ALA CA C 53.028 0.182 1 44 134 5 ALA CB C 19.166 0.031 1 45 134 5 ALA N N 130.078 0.029 1 46 135 6 GLN H H 8.414 0.005 1 47 135 6 GLN HA H 4.508 0.018 1 48 135 6 GLN HB2 H 1.966 0.000 2 49 135 6 GLN HB3 H 2.012 0.058 2 50 135 6 GLN HG2 H 2.397 0.000 2 51 135 6 GLN HG3 H 2.442 0.000 2 52 135 6 GLN C C 173.985 0.000 1 53 135 6 GLN CA C 56.191 0.000 1 54 135 6 GLN CB C 30.246 0.047 1 55 135 6 GLN CG C 33.990 0.061 1 56 135 6 GLN N N 119.446 0.060 1 57 136 7 ARG H H 7.746 0.002 1 58 136 7 ARG HA H 5.498 0.002 1 59 136 7 ARG HB2 H 1.682 0.000 2 60 136 7 ARG HB3 H 1.682 0.000 2 61 136 7 ARG HG2 H 1.328 0.000 2 62 136 7 ARG HG3 H 1.398 0.000 2 63 136 7 ARG HD2 H 3.086 0.001 2 64 136 7 ARG HD3 H 3.086 0.001 2 65 136 7 ARG C C 175.135 0.000 1 66 136 7 ARG CA C 54.751 0.000 1 67 136 7 ARG CB C 32.713 0.000 1 68 136 7 ARG CG C 28.136 0.005 1 69 136 7 ARG CD C 43.520 0.031 1 70 136 7 ARG N N 121.502 0.023 1 71 137 8 ILE H H 9.245 0.005 1 72 137 8 ILE HA H 4.409 0.013 1 73 137 8 ILE HB H 1.612 0.009 1 74 137 8 ILE HG12 H 1.100 0.000 2 75 137 8 ILE HG13 H 1.540 0.000 2 76 137 8 ILE HG2 H 0.624 0.008 1 77 137 8 ILE HD1 H 0.435 0.009 1 78 137 8 ILE C C 173.336 0.000 1 79 137 8 ILE CA C 60.663 0.130 1 80 137 8 ILE CB C 41.150 0.000 1 81 137 8 ILE CG1 C 26.428 0.072 1 82 137 8 ILE CG2 C 18.598 0.000 1 83 137 8 ILE CD1 C 14.111 0.000 1 84 137 8 ILE N N 126.515 0.077 1 85 138 9 GLU H H 8.215 0.002 1 86 138 9 GLU HA H 5.112 0.007 1 87 138 9 GLU HB2 H 1.857 0.006 2 88 138 9 GLU HB3 H 1.942 0.009 2 89 138 9 GLU HG2 H 2.147 0.009 2 90 138 9 GLU HG3 H 2.147 0.009 2 91 138 9 GLU C C 174.806 0.000 1 92 138 9 GLU CA C 54.847 0.226 1 93 138 9 GLU CB C 32.551 0.008 1 94 138 9 GLU CG C 36.098 0.000 1 95 138 9 GLU N N 125.172 0.105 1 96 139 10 PHE H H 9.208 0.004 1 97 139 10 PHE HA H 4.853 0.009 1 98 139 10 PHE HB2 H 3.068 0.011 2 99 139 10 PHE HB3 H 3.344 0.006 2 100 139 10 PHE HD1 H 7.271 0.002 1 101 139 10 PHE HD2 H 7.271 0.002 1 102 139 10 PHE HE1 H 7.067 0.000 1 103 139 10 PHE HE2 H 7.067 0.000 1 104 139 10 PHE C C 175.439 0.000 1 105 139 10 PHE CA C 56.105 0.149 1 106 139 10 PHE CB C 40.502 0.163 1 107 139 10 PHE CD1 C 132.180 0.109 1 108 139 10 PHE N N 125.269 0.031 1 109 140 11 ASP H H 9.136 0.006 1 110 140 11 ASP HA H 4.153 0.010 1 111 140 11 ASP HB2 H 2.892 0.008 2 112 140 11 ASP HB3 H 2.892 0.008 2 113 140 11 ASP C C 175.113 0.000 1 114 140 11 ASP CA C 57.561 0.012 1 115 140 11 ASP CB C 40.199 0.133 1 116 140 11 ASP N N 123.686 0.015 1 117 141 12 ASP H H 8.904 0.002 1 118 141 12 ASP HA H 4.614 0.010 1 119 141 12 ASP HB2 H 2.807 0.013 2 120 141 12 ASP HB3 H 2.807 0.013 2 121 141 12 ASP C C 175.190 0.003 1 122 141 12 ASP CA C 54.618 0.000 1 123 141 12 ASP CB C 40.833 0.217 1 124 141 12 ASP N N 122.106 0.031 1 125 142 13 LEU H H 8.258 0.003 1 126 142 13 LEU HA H 5.422 0.010 1 127 142 13 LEU HB2 H 1.552 0.011 2 128 142 13 LEU HB3 H 2.328 0.012 2 129 142 13 LEU HG H 1.656 0.006 1 130 142 13 LEU HD1 H 1.064 0.007 2 131 142 13 LEU HD2 H 1.129 0.009 2 132 142 13 LEU C C 174.576 0.000 1 133 142 13 LEU CA C 54.480 0.142 1 134 142 13 LEU CB C 45.155 0.229 1 135 142 13 LEU CG C 28.087 0.130 1 136 142 13 LEU CD1 C 24.618 0.110 1 137 142 13 LEU CD2 C 27.018 0.157 1 138 142 13 LEU N N 128.520 0.036 1 139 143 14 VAL H H 9.072 0.005 1 140 143 14 VAL HA H 4.844 0.006 1 141 143 14 VAL HB H 2.135 0.003 1 142 143 14 VAL HG1 H 0.843 0.015 2 143 143 14 VAL HG2 H 0.879 0.011 2 144 143 14 VAL C C 175.384 0.000 1 145 143 14 VAL CA C 61.911 0.126 1 146 143 14 VAL CB C 34.414 0.000 1 147 143 14 VAL CG1 C 21.180 0.106 1 148 143 14 VAL CG2 C 21.237 0.160 1 149 143 14 VAL N N 127.686 0.020 1 150 144 15 ILE H H 9.189 0.004 1 151 144 15 ILE HA H 4.878 0.009 1 152 144 15 ILE HB H 1.955 0.004 1 153 144 15 ILE HG12 H 1.747 0.000 2 154 144 15 ILE HG13 H 1.747 0.000 2 155 144 15 ILE HG2 H 1.186 0.007 1 156 144 15 ILE HD1 H 0.758 0.009 1 157 144 15 ILE C C 173.617 0.000 1 158 144 15 ILE CA C 60.900 0.163 1 159 144 15 ILE CB C 40.947 0.144 1 160 144 15 ILE CG1 C 27.561 0.087 1 161 144 15 ILE CG2 C 14.594 0.000 1 162 144 15 ILE CD1 C 15.029 0.117 1 163 144 15 ILE N N 129.514 0.019 1 164 145 16 ASP H H 9.108 0.002 1 165 145 16 ASP HA H 5.207 0.008 1 166 145 16 ASP HB2 H 2.240 0.006 2 167 145 16 ASP HB3 H 3.224 0.010 2 168 145 16 ASP C C 175.987 0.000 1 169 145 16 ASP CA C 52.508 0.163 1 170 145 16 ASP CB C 42.668 0.138 1 171 145 16 ASP N N 127.904 0.031 1 172 146 17 ASN H H 9.089 0.003 1 173 146 17 ASN HA H 4.517 0.009 1 174 146 17 ASN HB2 H 0.707 0.010 2 175 146 17 ASN HB3 H 2.077 0.012 2 176 146 17 ASN C C 176.794 0.000 1 177 146 17 ASN CA C 54.319 0.000 1 178 146 17 ASN CB C 38.261 0.163 1 179 146 17 ASN N N 125.808 0.037 1 180 147 18 GLY H H 8.627 0.003 1 181 147 18 GLY HA2 H 3.738 0.008 2 182 147 18 GLY HA3 H 3.828 0.006 2 183 147 18 GLY C C 175.375 0.000 1 184 147 18 GLY CA C 46.750 0.119 1 185 147 18 GLY N N 109.608 0.030 1 186 148 19 GLY H H 7.142 0.008 1 187 148 19 GLY HA2 H 3.393 0.009 2 188 148 19 GLY HA3 H 4.204 0.013 2 189 148 19 GLY C C 173.514 0.000 1 190 148 19 GLY CA C 44.677 0.164 1 191 148 19 GLY N N 107.751 0.030 1 192 149 20 ARG H H 7.494 0.002 1 193 149 20 ARG HA H 3.283 0.012 1 194 149 20 ARG HB2 H 0.780 0.143 2 195 149 20 ARG HB3 H 1.378 0.007 2 196 149 20 ARG HG2 H 0.639 0.000 2 197 149 20 ARG HG3 H 1.036 0.000 2 198 149 20 ARG HD2 H 2.792 0.011 2 199 149 20 ARG HD3 H 2.792 0.011 2 200 149 20 ARG C C 174.435 0.000 1 201 149 20 ARG CA C 57.321 0.135 1 202 149 20 ARG CB C 27.171 0.011 1 203 149 20 ARG CD C 43.489 0.170 1 204 149 20 ARG N N 120.802 0.036 1 205 150 21 SER H H 8.352 0.002 1 206 150 21 SER HA H 4.340 0.627 1 207 150 21 SER HB2 H 4.221 0.676 2 208 150 21 SER HB3 H 4.502 0.560 2 209 150 21 SER C C 172.912 0.000 1 210 150 21 SER CA C 56.148 0.159 1 211 150 21 SER CB C 67.105 0.202 1 212 150 21 SER N N 114.173 0.021 1 213 151 22 VAL H H 9.236 0.006 1 214 151 22 VAL HA H 5.090 0.007 1 215 151 22 VAL HB H 2.205 0.007 1 216 151 22 VAL HG1 H 0.883 0.024 2 217 151 22 VAL HG2 H 0.931 0.012 2 218 151 22 VAL C C 174.803 0.000 1 219 151 22 VAL CA C 61.270 0.078 1 220 151 22 VAL CB C 35.182 0.183 1 221 151 22 VAL CG1 C 21.822 0.094 1 222 151 22 VAL CG2 C 21.822 0.094 1 223 151 22 VAL N N 126.825 0.027 1 224 152 23 THR H H 9.158 0.004 1 225 152 23 THR HA H 5.311 0.014 1 226 152 23 THR HB H 3.706 0.010 1 227 152 23 THR HG2 H 1.002 0.010 1 228 152 23 THR C C 173.226 0.000 1 229 152 23 THR CA C 59.444 0.137 1 230 152 23 THR CB C 71.588 0.003 1 231 152 23 THR CG2 C 20.965 0.105 1 232 152 23 THR N N 118.726 0.022 1 233 153 24 LEU H H 8.993 0.003 1 234 153 24 LEU HA H 5.307 0.009 1 235 153 24 LEU HB2 H 1.154 0.011 2 236 153 24 LEU HB3 H 1.890 0.009 2 237 153 24 LEU HG H 1.417 0.004 1 238 153 24 LEU HD1 H 0.851 0.009 2 239 153 24 LEU HD2 H 0.841 0.009 2 240 153 24 LEU C C 177.674 0.000 1 241 153 24 LEU CA C 53.440 0.187 1 242 153 24 LEU CB C 45.205 0.169 1 243 153 24 LEU CG C 27.802 0.155 1 244 153 24 LEU CD1 C 23.960 0.119 1 245 153 24 LEU CD2 C 25.779 0.124 1 246 153 24 LEU N N 126.050 0.034 1 247 154 25 ASN H H 9.723 0.002 1 248 154 25 ASN HA H 4.547 0.008 1 249 154 25 ASN HB2 H 2.822 0.006 2 250 154 25 ASN HB3 H 3.164 0.009 2 251 154 25 ASN CA C 54.674 0.074 1 252 154 25 ASN CB C 38.021 0.138 1 253 154 25 ASN N N 128.707 0.018 1 254 155 26 GLY H H 8.840 0.002 1 255 155 26 GLY HA2 H 3.511 0.009 2 256 155 26 GLY HA3 H 4.273 0.006 2 257 155 26 GLY C C 173.491 0.000 1 258 155 26 GLY CA C 45.448 0.158 1 259 155 26 GLY N N 103.710 0.026 1 260 156 27 GLU H H 7.656 0.002 1 261 156 27 GLU HA H 4.658 0.009 1 262 156 27 GLU HB2 H 2.006 0.007 2 263 156 27 GLU HB3 H 2.105 0.009 2 264 156 27 GLU HG2 H 2.225 0.010 2 265 156 27 GLU HG3 H 2.345 0.000 2 266 156 27 GLU C C 175.388 0.000 1 267 156 27 GLU CA C 54.740 0.286 1 268 156 27 GLU CB C 31.673 0.140 1 269 156 27 GLU CG C 36.029 0.187 1 270 156 27 GLU N N 122.468 0.040 1 271 157 28 LEU H H 8.640 0.002 1 272 157 28 LEU HA H 4.557 0.010 1 273 157 28 LEU HB2 H 1.582 0.000 2 274 157 28 LEU HB3 H 1.630 0.000 2 275 157 28 LEU HG H 1.637 0.005 1 276 157 28 LEU HD1 H 0.940 0.017 2 277 157 28 LEU HD2 H 0.970 0.012 2 278 157 28 LEU C C 177.343 0.000 1 279 157 28 LEU CA C 56.194 0.145 1 280 157 28 LEU CB C 42.959 0.008 1 281 157 28 LEU CG C 27.398 0.158 1 282 157 28 LEU CD1 C 24.801 0.175 1 283 157 28 LEU CD2 C 24.914 0.061 1 284 157 28 LEU N N 127.573 0.025 1 285 158 29 VAL H H 8.798 0.005 1 286 158 29 VAL HA H 4.105 0.007 1 287 158 29 VAL HB H 1.850 0.010 1 288 158 29 VAL HG1 H 0.804 0.190 2 289 158 29 VAL HG2 H 0.865 0.188 2 290 158 29 VAL C C 175.090 0.000 1 291 158 29 VAL CA C 61.751 0.167 1 292 158 29 VAL CB C 34.181 0.184 1 293 158 29 VAL CG1 C 22.484 0.291 1 294 158 29 VAL CG2 C 22.969 0.000 1 295 158 29 VAL N N 128.458 0.020 1 296 159 30 ASP H H 8.537 0.003 1 297 159 30 ASP HA H 4.730 0.010 1 298 159 30 ASP HB2 H 2.532 0.010 2 299 159 30 ASP HB3 H 2.628 0.005 2 300 159 30 ASP C C 175.064 0.000 1 301 159 30 ASP CA C 54.949 0.149 1 302 159 30 ASP CB C 41.556 0.134 1 303 159 30 ASP N N 128.392 0.024 1 304 160 31 PHE H H 8.420 0.002 1 305 160 31 PHE HA H 4.851 0.008 1 306 160 31 PHE HB2 H 3.106 0.006 2 307 160 31 PHE HB3 H 3.511 0.007 2 308 160 31 PHE HD1 H 7.456 0.003 1 309 160 31 PHE HD2 H 7.456 0.003 1 310 160 31 PHE HE1 H 7.065 0.003 1 311 160 31 PHE HE2 H 7.065 0.003 1 312 160 31 PHE HZ H 7.030 0.004 1 313 160 31 PHE C C 177.414 0.000 1 314 160 31 PHE CA C 57.660 0.138 1 315 160 31 PHE CB C 43.395 0.186 1 316 160 31 PHE CD1 C 131.258 0.065 1 317 160 31 PHE CE1 C 130.963 0.059 1 318 160 31 PHE CZ C 128.949 0.000 1 319 160 31 PHE N N 126.428 0.038 1 320 161 32 THR H H 8.815 0.003 1 321 161 32 THR HA H 4.617 0.009 1 322 161 32 THR HB H 4.737 0.009 1 323 161 32 THR HG2 H 1.322 0.009 1 324 161 32 THR C C 175.777 0.000 1 325 161 32 THR CA C 61.228 0.092 1 326 161 32 THR CB C 70.304 0.114 1 327 161 32 THR CG2 C 21.879 0.080 1 328 161 32 THR N N 115.132 0.023 1 329 162 33 SER H H 9.082 0.000 1 330 162 33 SER HA H 3.993 0.000 1 331 162 33 SER HB2 H 4.272 0.002 2 332 162 33 SER HB3 H 4.272 0.002 2 333 162 33 SER C C 176.055 0.000 1 334 162 33 SER CA C 62.382 0.000 1 335 162 33 SER CB C 62.159 0.000 1 336 162 33 SER N N 119.175 0.029 1 337 163 34 ALA H H 8.257 0.009 1 338 163 34 ALA HA H 4.223 0.008 1 339 163 34 ALA HB H 1.257 0.007 1 340 163 34 ALA C C 182.058 0.000 1 341 163 34 ALA CA C 54.873 0.171 1 342 163 34 ALA CB C 18.525 0.130 1 343 163 34 ALA N N 122.442 0.344 1 344 164 35 GLU H H 7.762 0.002 1 345 164 35 GLU HA H 3.734 0.012 1 346 164 35 GLU HB2 H 1.939 0.006 2 347 164 35 GLU HB3 H 2.626 0.000 2 348 164 35 GLU HG2 H 2.118 0.007 2 349 164 35 GLU HG3 H 2.383 0.008 2 350 164 35 GLU C C 177.870 0.000 1 351 164 35 GLU CA C 59.518 0.128 1 352 164 35 GLU CB C 30.705 0.006 1 353 164 35 GLU CG C 37.411 0.197 1 354 164 35 GLU N N 120.191 0.009 1 355 165 36 TYR H H 8.822 0.002 1 356 165 36 TYR HA H 3.395 0.011 1 357 165 36 TYR HB2 H 2.946 0.007 2 358 165 36 TYR HB3 H 3.126 0.007 2 359 165 36 TYR HD1 H 6.814 0.011 1 360 165 36 TYR HD2 H 6.814 0.011 1 361 165 36 TYR HE1 H 6.402 0.201 1 362 165 36 TYR HE2 H 6.402 0.201 1 363 165 36 TYR C C 176.765 0.000 1 364 165 36 TYR CA C 63.433 0.256 1 365 165 36 TYR CB C 38.219 0.126 1 366 165 36 TYR CD1 C 132.944 0.000 1 367 165 36 TYR CE1 C 116.621 0.000 1 368 165 36 TYR N N 120.999 0.030 1 369 166 37 ASP H H 8.594 0.003 1 370 166 37 ASP HA H 4.351 0.008 1 371 166 37 ASP HB2 H 2.651 0.003 2 372 166 37 ASP HB3 H 2.755 0.027 2 373 166 37 ASP C C 179.390 0.000 1 374 166 37 ASP CA C 57.783 0.016 1 375 166 37 ASP CB C 40.737 0.117 1 376 166 37 ASP N N 119.496 0.034 1 377 167 38 LEU H H 7.272 0.005 1 378 167 38 LEU HA H 4.051 0.011 1 379 167 38 LEU HB2 H 1.503 0.020 2 380 167 38 LEU HB3 H 1.793 0.011 2 381 167 38 LEU HG H 1.333 0.008 1 382 167 38 LEU HD1 H 0.757 0.008 2 383 167 38 LEU HD2 H 0.793 0.006 2 384 167 38 LEU C C 176.775 0.000 1 385 167 38 LEU CA C 57.757 0.107 1 386 167 38 LEU CB C 41.727 0.141 1 387 167 38 LEU CG C 27.405 0.116 1 388 167 38 LEU CD1 C 27.480 0.000 1 389 167 38 LEU CD2 C 23.831 0.146 1 390 167 38 LEU N N 121.639 0.025 1 391 168 39 LEU H H 8.139 0.004 1 392 168 39 LEU HA H 3.770 0.010 1 393 168 39 LEU HB2 H 1.141 0.013 2 394 168 39 LEU HB3 H 1.676 0.012 2 395 168 39 LEU HG H 1.278 0.012 1 396 168 39 LEU HD1 H 0.567 0.009 2 397 168 39 LEU HD2 H 0.905 0.010 2 398 168 39 LEU C C 177.575 0.000 1 399 168 39 LEU CA C 58.469 0.146 1 400 168 39 LEU CB C 41.347 0.213 1 401 168 39 LEU CG C 27.429 0.086 1 402 168 39 LEU CD1 C 27.677 0.000 1 403 168 39 LEU CD2 C 23.731 0.000 1 404 168 39 LEU N N 121.746 0.032 1 405 169 40 TRP H H 9.185 0.004 1 406 169 40 TRP HA H 4.017 0.011 1 407 169 40 TRP HB2 H 2.655 0.002 2 408 169 40 TRP HB3 H 2.805 0.006 2 409 169 40 TRP HD1 H 7.165 0.002 1 410 169 40 TRP HZ2 H 7.329 0.004 1 411 169 40 TRP HZ3 H 6.730 0.004 1 412 169 40 TRP HH2 H 7.068 0.002 1 413 169 40 TRP C C 178.800 0.000 1 414 169 40 TRP CA C 59.693 0.157 1 415 169 40 TRP CB C 29.397 0.142 1 416 169 40 TRP CD1 C 126.725 0.000 1 417 169 40 TRP CZ2 C 114.541 0.000 1 418 169 40 TRP CZ3 C 120.522 0.000 1 419 169 40 TRP CH2 C 124.450 0.001 1 420 169 40 TRP N N 119.212 0.073 1 421 170 41 LEU H H 7.715 0.005 1 422 170 41 LEU HA H 3.590 0.009 1 423 170 41 LEU HB2 H 1.638 0.016 2 424 170 41 LEU HB3 H 1.937 0.009 2 425 170 41 LEU HG H 1.372 0.009 1 426 170 41 LEU HD1 H 0.798 0.024 2 427 170 41 LEU HD2 H 0.798 0.024 2 428 170 41 LEU C C 177.966 0.000 1 429 170 41 LEU CA C 58.668 0.130 1 430 170 41 LEU CB C 41.578 0.160 1 431 170 41 LEU CG C 27.654 0.000 1 432 170 41 LEU CD1 C 23.747 0.000 1 433 170 41 LEU CD2 C 27.033 0.170 1 434 170 41 LEU N N 122.642 0.091 1 435 171 42 LEU H H 7.760 0.005 1 436 171 42 LEU HA H 3.829 0.014 1 437 171 42 LEU HB2 H 1.411 0.005 2 438 171 42 LEU HB3 H 1.820 0.011 2 439 171 42 LEU HG H 1.679 0.051 1 440 171 42 LEU HD1 H 0.679 0.000 2 441 171 42 LEU HD2 H 0.777 0.013 2 442 171 42 LEU C C 178.664 0.000 1 443 171 42 LEU CA C 58.370 0.046 1 444 171 42 LEU CB C 42.683 0.163 1 445 171 42 LEU CG C 27.331 0.162 1 446 171 42 LEU CD1 C 26.396 0.259 1 447 171 42 LEU CD2 C 23.416 0.085 1 448 171 42 LEU N N 118.175 0.042 1 449 172 43 ALA H H 8.686 0.003 1 450 172 43 ALA HA H 2.678 0.011 1 451 172 43 ALA HB H 0.475 0.000 1 452 172 43 ALA C C 180.321 0.000 1 453 172 43 ALA CA C 54.817 0.075 1 454 172 43 ALA CB C 18.337 0.000 1 455 172 43 ALA N N 122.010 0.020 1 456 173 44 SER H H 8.116 0.004 1 457 173 44 SER HA H 3.540 0.011 1 458 173 44 SER HB2 H 2.120 0.011 2 459 173 44 SER HB3 H 3.312 0.008 2 460 173 44 SER CA C 60.727 0.205 1 461 173 44 SER CB C 62.166 0.177 1 462 173 44 SER N N 114.197 0.038 1 463 174 45 ASN H H 6.802 0.010 1 464 174 45 ASN HA H 4.809 0.008 1 465 174 45 ASN HB2 H 2.523 0.014 2 466 174 45 ASN HB3 H 2.889 0.007 2 467 174 45 ASN C C 173.299 0.000 1 468 174 45 ASN CA C 53.120 0.183 1 469 174 45 ASN CB C 40.451 0.175 1 470 174 45 ASN N N 121.745 0.010 1 471 175 46 ALA H H 6.810 0.003 1 472 175 46 ALA HA H 4.576 0.020 1 473 175 46 ALA HB H 1.534 0.008 1 474 175 46 ALA C C 179.076 0.000 1 475 175 46 ALA CA C 54.573 0.166 1 476 175 46 ALA CB C 18.966 0.149 1 477 175 46 ALA N N 121.741 0.029 1 478 176 47 GLY H H 9.155 0.004 1 479 176 47 GLY HA2 H 3.789 0.010 2 480 176 47 GLY HA3 H 4.396 0.008 2 481 176 47 GLY C C 173.002 0.000 1 482 176 47 GLY CA C 45.488 0.130 1 483 176 47 GLY N N 110.733 0.039 1 484 177 48 ARG H H 8.393 0.002 1 485 177 48 ARG HA H 4.610 0.008 1 486 177 48 ARG HB2 H 1.826 0.011 2 487 177 48 ARG HB3 H 1.870 0.012 2 488 177 48 ARG HG2 H 1.537 0.009 2 489 177 48 ARG HG3 H 1.537 0.009 2 490 177 48 ARG HD2 H 3.157 0.008 2 491 177 48 ARG HD3 H 3.157 0.008 2 492 177 48 ARG C C 173.959 0.000 1 493 177 48 ARG CA C 54.596 0.200 1 494 177 48 ARG CB C 32.065 0.070 1 495 177 48 ARG CG C 27.457 0.127 1 496 177 48 ARG CD C 43.814 0.210 1 497 177 48 ARG N N 123.697 0.031 1 498 178 49 ILE H H 8.431 0.002 1 499 178 49 ILE HA H 4.091 0.009 1 500 178 49 ILE HB H 1.609 0.008 1 501 178 49 ILE HG12 H 0.716 0.009 2 502 178 49 ILE HG13 H 0.716 0.009 2 503 178 49 ILE HG2 H 0.515 0.007 1 504 178 49 ILE HD1 H 0.818 0.010 1 505 178 49 ILE C C 176.492 0.000 1 506 178 49 ILE CA C 61.514 0.096 1 507 178 49 ILE CB C 38.590 0.182 1 508 178 49 ILE CG1 C 29.652 0.095 1 509 178 49 ILE CG2 C 17.509 0.027 1 510 178 49 ILE CD1 C 14.294 0.042 1 511 178 49 ILE N N 124.941 0.021 1 512 179 50 LEU H H 9.143 0.004 1 513 179 50 LEU HA H 4.956 0.009 1 514 179 50 LEU HB2 H 1.413 0.007 2 515 179 50 LEU HB3 H 1.719 0.006 2 516 179 50 LEU HG H 1.742 0.009 1 517 179 50 LEU HD1 H 0.723 0.009 2 518 179 50 LEU HD2 H 0.770 0.009 2 519 179 50 LEU C C 176.052 0.000 1 520 179 50 LEU CA C 53.184 0.000 1 521 179 50 LEU CB C 43.612 0.191 1 522 179 50 LEU CG C 27.653 0.000 1 523 179 50 LEU CD1 C 24.035 0.105 1 524 179 50 LEU CD2 C 26.282 0.129 1 525 179 50 LEU N N 132.569 0.027 1 526 180 51 SER H H 9.361 0.002 1 527 180 51 SER HA H 4.888 0.011 1 528 180 51 SER HB2 H 4.107 0.007 2 529 180 51 SER HB3 H 4.457 0.005 2 530 180 51 SER C C 175.365 0.000 1 531 180 51 SER CA C 56.953 0.121 1 532 180 51 SER CB C 65.935 0.235 1 533 180 51 SER N N 121.482 0.020 1 534 181 52 ARG H H 9.070 0.003 1 535 181 52 ARG HA H 3.840 0.016 1 536 181 52 ARG HB2 H 1.812 0.009 2 537 181 52 ARG HB3 H 1.812 0.009 2 538 181 52 ARG HG2 H 1.539 0.006 2 539 181 52 ARG HG3 H 1.539 0.006 2 540 181 52 ARG HD2 H 3.192 0.012 2 541 181 52 ARG HD3 H 3.192 0.012 2 542 181 52 ARG C C 177.559 0.000 1 543 181 52 ARG CA C 60.771 0.101 1 544 181 52 ARG CB C 29.606 0.150 1 545 181 52 ARG CG C 28.830 0.000 1 546 181 52 ARG CD C 43.347 0.183 1 547 181 52 ARG N N 121.300 0.033 1 548 182 53 GLU H H 8.684 0.003 1 549 182 53 GLU HA H 3.996 0.017 1 550 182 53 GLU HB2 H 2.002 0.000 2 551 182 53 GLU HB3 H 2.077 0.000 2 552 182 53 GLU HG2 H 2.261 0.000 2 553 182 53 GLU HG3 H 2.532 0.000 2 554 182 53 GLU C C 178.872 0.000 1 555 182 53 GLU CA C 60.904 0.068 1 556 182 53 GLU CB C 28.578 0.019 1 557 182 53 GLU CG C 37.604 0.082 1 558 182 53 GLU N N 119.246 0.087 1 559 183 54 ASP H H 8.151 0.003 1 560 183 54 ASP HA H 4.362 0.007 1 561 183 54 ASP HB2 H 2.575 0.010 2 562 183 54 ASP HB3 H 3.123 0.009 2 563 183 54 ASP C C 178.882 0.000 1 564 183 54 ASP CA C 57.638 0.000 1 565 183 54 ASP CB C 41.455 0.161 1 566 183 54 ASP N N 122.886 0.019 1 567 184 55 ILE H H 8.113 0.008 1 568 184 55 ILE HA H 3.395 0.008 1 569 184 55 ILE HB H 1.820 0.000 1 570 184 55 ILE HG2 H 0.647 0.009 1 571 184 55 ILE HD1 H 0.739 0.008 1 572 184 55 ILE C C 177.322 0.000 1 573 184 55 ILE CA C 66.090 0.240 1 574 184 55 ILE CB C 38.056 0.000 1 575 184 55 ILE CG2 C 18.273 0.035 1 576 184 55 ILE CD1 C 14.247 0.015 1 577 184 55 ILE N N 121.128 0.020 1 578 185 56 PHE H H 8.507 0.003 1 579 185 56 PHE HA H 4.212 0.010 1 580 185 56 PHE HB2 H 3.183 0.019 2 581 185 56 PHE HB3 H 3.240 0.017 2 582 185 56 PHE HD1 H 7.303 0.014 1 583 185 56 PHE HD2 H 7.303 0.014 1 584 185 56 PHE HE1 H 7.261 0.010 1 585 185 56 PHE HE2 H 7.261 0.010 1 586 185 56 PHE C C 178.299 0.000 1 587 185 56 PHE CA C 60.796 0.020 1 588 185 56 PHE CB C 38.874 0.178 1 589 185 56 PHE CD1 C 131.423 0.000 1 590 185 56 PHE CE1 C 131.478 0.000 1 591 185 56 PHE N N 119.771 0.025 1 592 186 57 GLU H H 8.154 0.002 1 593 186 57 GLU HA H 4.071 0.009 1 594 186 57 GLU HB2 H 2.183 0.025 2 595 186 57 GLU HB3 H 2.248 0.005 2 596 186 57 GLU HG2 H 2.409 0.003 2 597 186 57 GLU HG3 H 2.409 0.003 2 598 186 57 GLU C C 179.012 0.000 1 599 186 57 GLU CA C 59.067 0.081 1 600 186 57 GLU CB C 29.915 0.185 1 601 186 57 GLU CG C 36.391 0.173 1 602 186 57 GLU N N 118.732 0.024 1 603 187 58 ARG H H 7.831 0.006 1 604 187 58 ARG HA H 4.252 0.019 1 605 187 58 ARG HB2 H 1.877 0.000 2 606 187 58 ARG HB3 H 1.877 0.000 2 607 187 58 ARG HG2 H 1.784 0.045 2 608 187 58 ARG HG3 H 1.784 0.045 2 609 187 58 ARG C C 177.915 0.000 1 610 187 58 ARG CA C 57.357 0.000 1 611 187 58 ARG CB C 30.901 0.028 1 612 187 58 ARG CG C 27.711 0.000 1 613 187 58 ARG CD C 43.011 0.000 1 614 187 58 ARG N N 118.346 0.024 1 615 188 59 LEU H H 7.997 0.004 1 616 188 59 LEU HA H 4.553 0.014 1 617 188 59 LEU HB2 H 1.599 0.002 2 618 188 59 LEU HB3 H 1.599 0.002 2 619 188 59 LEU HG H 1.692 0.000 1 620 188 59 LEU HD1 H 0.709 0.008 2 621 188 59 LEU HD2 H 0.809 0.011 2 622 188 59 LEU C C 176.967 0.000 1 623 188 59 LEU CA C 54.393 0.158 1 624 188 59 LEU CB C 41.400 0.045 1 625 188 59 LEU CG C 26.323 0.000 1 626 188 59 LEU CD1 C 26.272 0.133 1 627 188 59 LEU CD2 C 22.816 0.130 1 628 188 59 LEU N N 119.931 0.024 1 629 189 60 ARG H H 7.782 0.004 1 630 189 60 ARG HA H 4.336 0.015 1 631 189 60 ARG HB2 H 1.800 0.034 2 632 189 60 ARG HB3 H 1.800 0.034 2 633 189 60 ARG HG2 H 1.566 0.008 2 634 189 60 ARG HG3 H 1.566 0.008 2 635 189 60 ARG HD2 H 3.162 0.008 2 636 189 60 ARG HD3 H 3.162 0.008 2 637 189 60 ARG C C 177.223 0.000 1 638 189 60 ARG CA C 56.993 0.079 1 639 189 60 ARG CB C 30.061 0.054 1 640 189 60 ARG CG C 26.539 0.524 1 641 189 60 ARG CD C 43.260 0.024 1 642 189 60 ARG N N 120.794 0.029 1 643 190 61 GLY H H 8.479 0.005 1 644 190 61 GLY HA2 H 3.942 0.010 2 645 190 61 GLY HA3 H 3.942 0.010 2 646 190 61 GLY C C 174.332 0.000 1 647 190 61 GLY CA C 45.627 0.155 1 648 190 61 GLY N N 111.250 0.036 1 649 191 62 ILE H H 7.685 0.006 1 650 191 62 ILE HA H 4.133 0.008 1 651 191 62 ILE HB H 1.848 0.009 1 652 191 62 ILE HG12 H 1.430 0.007 2 653 191 62 ILE HG13 H 1.099 0.007 2 654 191 62 ILE HG2 H 0.788 0.008 1 655 191 62 ILE HD1 H 0.877 0.008 1 656 191 62 ILE CA C 61.787 0.101 1 657 191 62 ILE CB C 39.076 0.162 1 658 191 62 ILE CG1 C 27.597 0.185 1 659 191 62 ILE CG2 C 17.698 0.050 1 660 191 62 ILE CD1 C 13.615 0.055 1 661 191 62 ILE N N 120.618 0.011 1 662 192 63 GLU H H 8.391 0.005 1 663 192 63 GLU HA H 4.183 0.007 1 664 192 63 GLU HB2 H 1.865 0.018 2 665 192 63 GLU HB3 H 1.865 0.018 2 666 192 63 GLU HG2 H 2.119 0.008 2 667 192 63 GLU HG3 H 2.173 0.008 2 668 192 63 GLU CA C 56.793 0.122 1 669 192 63 GLU CB C 30.411 0.234 1 670 192 63 GLU CG C 36.760 0.427 1 671 192 63 GLU N N 124.013 0.013 1 672 195 66 GLY H H 8.398 0.002 1 673 195 66 GLY HA2 H 3.937 0.009 2 674 195 66 GLY HA3 H 3.937 0.009 2 675 195 66 GLY CA C 45.594 0.007 1 676 195 66 GLY N N 110.773 0.035 1 677 198 69 ARG HB2 H 1.967 0.000 2 678 198 69 ARG HB3 H 1.967 0.000 2 679 198 69 ARG CB C 35.990 0.000 1 680 200 71 ILE HA H 3.669 0.009 1 681 200 71 ILE HB H 1.885 0.008 1 682 200 71 ILE HG12 H 1.074 0.000 2 683 200 71 ILE HG13 H 1.621 0.000 2 684 200 71 ILE HG2 H 0.694 0.009 1 685 200 71 ILE HD1 H 0.706 0.000 1 686 200 71 ILE C C 176.885 0.000 1 687 200 71 ILE CA C 64.594 0.196 1 688 200 71 ILE CB C 38.100 0.216 1 689 200 71 ILE CG1 C 29.137 0.153 1 690 200 71 ILE CG2 C 18.234 0.051 1 691 200 71 ILE CD1 C 14.027 0.000 1 692 201 72 ASP H H 8.076 0.004 1 693 201 72 ASP HA H 4.233 0.007 1 694 201 72 ASP HB2 H 2.666 0.011 2 695 201 72 ASP HB3 H 2.738 0.007 2 696 201 72 ASP C C 179.282 0.000 1 697 201 72 ASP CA C 58.266 0.018 1 698 201 72 ASP CB C 41.019 0.139 1 699 201 72 ASP N N 120.452 0.048 1 700 202 73 VAL H H 7.987 0.007 1 701 202 73 VAL HA H 3.750 0.008 1 702 202 73 VAL HB H 2.076 0.007 1 703 202 73 VAL HG1 H 0.932 0.008 2 704 202 73 VAL HG2 H 1.075 0.010 2 705 202 73 VAL C C 179.009 0.000 1 706 202 73 VAL CA C 66.020 0.258 1 707 202 73 VAL CB C 31.954 0.180 1 708 202 73 VAL CG1 C 21.066 0.108 1 709 202 73 VAL CG2 C 22.713 0.136 1 710 202 73 VAL N N 121.575 0.032 1 711 203 74 ARG H H 7.801 0.003 1 712 203 74 ARG HA H 4.025 0.012 1 713 203 74 ARG HB2 H 1.659 0.000 2 714 203 74 ARG HB3 H 1.659 0.000 2 715 203 74 ARG HG2 H 1.679 0.008 2 716 203 74 ARG HG3 H 1.788 0.091 2 717 203 74 ARG HD2 H 2.920 0.029 2 718 203 74 ARG HD3 H 2.979 0.062 2 719 203 74 ARG C C 179.364 0.000 1 720 203 74 ARG CA C 60.627 0.144 1 721 203 74 ARG CB C 30.518 0.000 1 722 203 74 ARG CG C 28.742 0.030 1 723 203 74 ARG CD C 44.109 0.108 1 724 203 74 ARG N N 122.405 0.011 1 725 204 75 ILE H H 8.470 0.004 1 726 204 75 ILE HA H 3.542 0.009 1 727 204 75 ILE HB H 1.958 0.014 1 728 204 75 ILE HG12 H 0.883 0.003 2 729 204 75 ILE HG13 H 1.016 0.009 2 730 204 75 ILE HG2 H 0.622 0.008 1 731 204 75 ILE HD1 H 0.092 0.009 1 732 204 75 ILE C C 177.800 0.000 1 733 204 75 ILE CA C 64.174 0.263 1 734 204 75 ILE CB C 35.910 0.080 1 735 204 75 ILE CG1 C 27.999 0.075 1 736 204 75 ILE CG2 C 16.572 0.108 1 737 204 75 ILE CD1 C 11.183 0.125 1 738 204 75 ILE N N 121.025 0.027 1 739 205 76 SER H H 7.905 0.004 1 740 205 76 SER HA H 4.302 0.000 1 741 205 76 SER HB2 H 4.007 0.010 2 742 205 76 SER HB3 H 4.106 0.004 2 743 205 76 SER C C 176.059 0.000 1 744 205 76 SER CA C 61.743 0.000 1 745 205 76 SER CB C 62.810 0.003 1 746 205 76 SER N N 117.163 0.032 1 747 206 77 ARG H H 7.629 0.003 1 748 206 77 ARG HA H 4.274 0.019 1 749 206 77 ARG HB2 H 1.994 0.014 2 750 206 77 ARG HB3 H 1.994 0.014 2 751 206 77 ARG HG2 H 1.823 0.011 2 752 206 77 ARG HG3 H 1.823 0.011 2 753 206 77 ARG HD2 H 3.146 0.064 2 754 206 77 ARG HD3 H 3.146 0.064 2 755 206 77 ARG C C 178.999 0.000 1 756 206 77 ARG CA C 57.867 0.050 1 757 206 77 ARG CB C 30.775 0.132 1 758 206 77 ARG CG C 27.766 0.123 1 759 206 77 ARG CD C 43.294 0.140 1 760 206 77 ARG N N 121.255 0.027 1 761 207 78 ILE H H 8.124 0.004 1 762 207 78 ILE HA H 3.847 0.012 1 763 207 78 ILE HB H 1.919 0.002 1 764 207 78 ILE HG12 H 1.091 0.000 2 765 207 78 ILE HG13 H 1.091 0.000 2 766 207 78 ILE HG2 H 0.984 0.007 1 767 207 78 ILE HD1 H 0.823 0.010 1 768 207 78 ILE C C 177.614 0.000 1 769 207 78 ILE CA C 65.213 0.175 1 770 207 78 ILE CB C 39.492 0.108 1 771 207 78 ILE CG1 C 28.824 0.000 1 772 207 78 ILE CG2 C 18.739 0.055 1 773 207 78 ILE CD1 C 15.055 0.053 1 774 207 78 ILE N N 119.669 0.034 1 775 208 79 ARG H H 7.879 0.005 1 776 208 79 ARG N N 117.149 0.006 1 777 209 80 PRO HA H 4.652 0.007 1 778 209 80 PRO HB2 H 1.977 0.007 2 779 209 80 PRO HB3 H 2.298 0.007 2 780 209 80 PRO HG2 H 2.072 0.012 2 781 209 80 PRO HG3 H 2.111 0.006 2 782 209 80 PRO HD2 H 3.522 0.003 2 783 209 80 PRO HD3 H 3.903 0.008 2 784 209 80 PRO C C 180.113 0.000 1 785 209 80 PRO CA C 65.957 0.222 1 786 209 80 PRO CB C 30.682 0.000 1 787 209 80 PRO CG C 28.477 0.164 1 788 209 80 PRO CD C 50.381 0.158 1 789 210 81 LYS H H 6.956 0.003 1 790 210 81 LYS HA H 4.114 0.011 1 791 210 81 LYS HB2 H 1.671 0.007 2 792 210 81 LYS HB3 H 2.088 0.013 2 793 210 81 LYS HG2 H 1.189 0.000 2 794 210 81 LYS HG3 H 1.292 0.000 2 795 210 81 LYS HD2 H 1.164 0.000 2 796 210 81 LYS HD3 H 1.280 0.000 2 797 210 81 LYS HE2 H 2.767 0.007 2 798 210 81 LYS HE3 H 2.767 0.007 2 799 210 81 LYS C C 177.351 0.000 1 800 210 81 LYS CA C 59.548 0.162 1 801 210 81 LYS CB C 33.471 0.174 1 802 210 81 LYS CG C 27.320 0.000 1 803 210 81 LYS CD C 29.924 0.000 1 804 210 81 LYS CE C 41.965 0.212 1 805 210 81 LYS N N 118.521 0.032 1 806 211 82 ILE H H 7.383 0.004 1 807 211 82 ILE HA H 4.778 0.009 1 808 211 82 ILE HB H 2.502 0.008 1 809 211 82 ILE HG12 H 1.504 0.014 2 810 211 82 ILE HG13 H 1.504 0.014 2 811 211 82 ILE HG2 H 1.101 0.006 1 812 211 82 ILE HD1 H 0.845 0.013 1 813 211 82 ILE C C 175.293 0.000 1 814 211 82 ILE CA C 60.404 0.000 1 815 211 82 ILE CB C 38.233 0.112 1 816 211 82 ILE CG1 C 27.117 0.130 1 817 211 82 ILE CG2 C 19.126 0.066 1 818 211 82 ILE CD1 C 15.457 0.063 1 819 211 82 ILE N N 107.649 0.026 1 820 212 83 GLY H H 7.590 0.002 1 821 212 83 GLY HA2 H 3.756 0.000 2 822 212 83 GLY HA3 H 4.166 0.002 2 823 212 83 GLY C C 174.551 0.000 1 824 212 83 GLY CA C 45.625 0.047 1 825 212 83 GLY N N 109.467 0.035 1 826 213 84 ASP H H 8.327 0.007 1 827 213 84 ASP HA H 4.959 0.009 1 828 213 84 ASP HB2 H 2.220 0.009 2 829 213 84 ASP HB3 H 2.374 0.009 2 830 213 84 ASP C C 175.741 0.000 1 831 213 84 ASP CA C 53.112 0.210 1 832 213 84 ASP CB C 43.312 0.000 1 833 213 84 ASP N N 123.091 0.049 1 834 214 85 ASP H H 8.842 0.001 1 835 214 85 ASP HA H 4.752 0.008 1 836 214 85 ASP HB2 H 2.622 0.008 2 837 214 85 ASP HB3 H 2.752 0.006 2 838 214 85 ASP C C 175.747 0.000 1 839 214 85 ASP CA C 51.371 0.000 1 840 214 85 ASP CB C 42.757 0.150 1 841 214 85 ASP N N 126.609 0.030 1 842 215 86 PRO HA H 4.063 0.013 1 843 215 86 PRO HB2 H 2.080 0.011 2 844 215 86 PRO HB3 H 2.369 0.011 2 845 215 86 PRO HG2 H 1.966 0.007 2 846 215 86 PRO HG3 H 2.162 0.010 2 847 215 86 PRO HD2 H 3.940 0.008 2 848 215 86 PRO HD3 H 3.940 0.008 2 849 215 86 PRO C C 177.837 0.000 1 850 215 86 PRO CA C 64.995 0.232 1 851 215 86 PRO CB C 32.874 0.135 1 852 215 86 PRO CG C 27.960 0.159 1 853 215 86 PRO CD C 50.985 0.191 1 854 216 87 GLU H H 8.133 0.001 1 855 216 87 GLU HA H 4.326 0.009 1 856 216 87 GLU HB2 H 2.024 0.019 2 857 216 87 GLU HB3 H 2.072 0.003 2 858 216 87 GLU HG2 H 2.284 0.008 2 859 216 87 GLU HG3 H 2.284 0.008 2 860 216 87 GLU C C 176.740 0.000 1 861 216 87 GLU CA C 56.639 0.212 1 862 216 87 GLU CB C 30.692 0.138 1 863 216 87 GLU CG C 36.590 0.139 1 864 216 87 GLU N N 116.755 0.024 1 865 217 88 ASN H H 7.721 0.002 1 866 217 88 ASN HA H 4.942 0.008 1 867 217 88 ASN HB2 H 2.556 0.014 2 868 217 88 ASN HB3 H 2.619 0.001 2 869 217 88 ASN C C 170.525 0.000 1 870 217 88 ASN CA C 51.431 0.170 1 871 217 88 ASN CB C 38.842 0.034 1 872 217 88 ASN N N 117.451 0.023 1 873 218 89 PRO HA H 4.403 0.013 1 874 218 89 PRO HB2 H 1.938 0.009 2 875 218 89 PRO HB3 H 2.155 0.009 2 876 218 89 PRO HG2 H 1.839 0.010 2 877 218 89 PRO HG3 H 1.997 0.009 2 878 218 89 PRO HD2 H 3.361 0.010 2 879 218 89 PRO HD3 H 3.524 0.007 2 880 218 89 PRO C C 176.875 0.000 1 881 218 89 PRO CA C 64.578 0.272 1 882 218 89 PRO CB C 33.501 0.188 1 883 218 89 PRO CG C 27.930 0.133 1 884 218 89 PRO CD C 50.471 0.188 1 885 219 90 LYS H H 9.605 0.002 1 886 219 90 LYS HA H 4.358 0.008 1 887 219 90 LYS HB2 H 1.802 0.008 2 888 219 90 LYS HB3 H 1.802 0.008 2 889 219 90 LYS HG2 H 1.542 0.125 2 890 219 90 LYS HG3 H 1.542 0.125 2 891 219 90 LYS HD2 H 1.695 0.000 2 892 219 90 LYS HD3 H 1.695 0.000 2 893 219 90 LYS HE2 H 2.889 0.000 2 894 219 90 LYS HE3 H 3.023 0.000 2 895 219 90 LYS C C 176.192 0.000 1 896 219 90 LYS CB C 35.458 0.157 1 897 219 90 LYS CG C 25.129 0.000 1 898 219 90 LYS CD C 29.333 0.000 1 899 219 90 LYS CE C 42.012 0.270 1 900 219 90 LYS N N 124.459 0.017 1 901 220 91 ARG H H 9.945 0.003 1 902 220 91 ARG HA H 4.231 0.012 1 903 220 91 ARG HB2 H 1.246 0.015 2 904 220 91 ARG HB3 H 1.587 0.010 2 905 220 91 ARG HG2 H 1.046 0.004 2 906 220 91 ARG HG3 H 1.184 0.007 2 907 220 91 ARG HD2 H 2.611 0.015 2 908 220 91 ARG HD3 H 2.816 0.008 2 909 220 91 ARG C C 175.289 0.000 1 910 220 91 ARG CA C 56.742 0.016 1 911 220 91 ARG CB C 30.883 0.207 1 912 220 91 ARG CG C 26.912 0.222 1 913 220 91 ARG CD C 42.756 0.166 1 914 220 91 ARG N N 123.572 0.011 1 915 221 92 ILE H H 8.633 0.002 1 916 221 92 ILE HA H 4.742 0.006 1 917 221 92 ILE HB H 1.592 0.004 1 918 221 92 ILE HG12 H 1.412 0.000 2 919 221 92 ILE HG13 H 1.412 0.000 2 920 221 92 ILE HG2 H 0.697 0.009 1 921 221 92 ILE HD1 H 0.798 0.006 1 922 221 92 ILE C C 176.219 0.000 1 923 221 92 ILE CA C 60.086 0.000 1 924 221 92 ILE CB C 38.752 0.238 1 925 221 92 ILE CG1 C 28.069 0.000 1 926 221 92 ILE CG2 C 17.948 0.055 1 927 221 92 ILE CD1 C 14.431 0.050 1 928 221 92 ILE N N 117.958 0.056 1 929 222 93 LYS H H 9.469 0.002 1 930 222 93 LYS HA H 4.480 0.015 1 931 222 93 LYS HB2 H 1.485 0.000 2 932 222 93 LYS HB3 H 1.663 0.000 2 933 222 93 LYS HG2 H 1.090 0.000 2 934 222 93 LYS HG3 H 1.146 0.000 2 935 222 93 LYS HD2 H 1.472 0.014 2 936 222 93 LYS HD3 H 1.472 0.014 2 937 222 93 LYS HE2 H 2.902 0.005 2 938 222 93 LYS HE3 H 2.902 0.005 2 939 222 93 LYS C C 176.219 0.000 1 940 222 93 LYS CA C 55.207 0.145 1 941 222 93 LYS CB C 34.705 0.196 1 942 222 93 LYS CG C 25.516 0.148 1 943 222 93 LYS CD C 29.128 0.130 1 944 222 93 LYS CE C 41.820 0.058 1 945 222 93 LYS N N 129.519 0.026 1 946 223 94 THR H H 9.182 0.006 1 947 223 94 THR HA H 4.286 0.009 1 948 223 94 THR HB H 4.092 0.008 1 949 223 94 THR HG2 H 1.012 0.008 1 950 223 94 THR C C 174.159 0.000 1 951 223 94 THR CA C 62.213 0.082 1 952 223 94 THR CB C 69.267 0.151 1 953 223 94 THR CG2 C 22.603 0.140 1 954 223 94 THR N N 121.507 0.016 1 955 224 95 VAL H H 8.593 0.004 1 956 224 95 VAL HA H 4.086 0.008 1 957 224 95 VAL HB H 1.595 0.006 1 958 224 95 VAL HG1 H 0.628 0.009 2 959 224 95 VAL HG2 H 0.796 0.011 2 960 224 95 VAL C C 175.262 0.000 1 961 224 95 VAL CA C 61.455 0.037 1 962 224 95 VAL CB C 31.320 0.182 1 963 224 95 VAL CG1 C 20.389 0.089 1 964 224 95 VAL CG2 C 21.687 0.107 1 965 224 95 VAL N N 130.665 0.025 1 966 226 97 SER C C 173.867 0.000 1 967 227 98 LYS H H 8.235 0.005 1 968 227 98 LYS HA H 4.518 0.013 1 969 227 98 LYS HB2 H 1.494 0.009 2 970 227 98 LYS HB3 H 1.714 0.008 2 971 227 98 LYS HG2 H 1.304 0.014 2 972 227 98 LYS HG3 H 1.381 0.002 2 973 227 98 LYS HD2 H 1.566 0.000 2 974 227 98 LYS HD3 H 1.623 0.000 2 975 227 98 LYS HE2 H 2.937 0.026 2 976 227 98 LYS HE3 H 2.937 0.026 2 977 227 98 LYS C C 176.026 0.000 1 978 227 98 LYS CA C 56.554 0.121 1 979 227 98 LYS CB C 35.118 0.143 1 980 227 98 LYS CG C 24.887 0.003 1 981 227 98 LYS CD C 28.778 0.163 1 982 227 98 LYS CE C 42.203 0.008 1 983 227 98 LYS N N 120.696 0.011 1 984 228 99 GLY H H 7.716 0.000 1 985 228 99 GLY HA2 H 3.416 0.008 2 986 228 99 GLY HA3 H 4.469 0.012 2 987 228 99 GLY C C 171.054 0.000 1 988 228 99 GLY CA C 45.494 0.139 1 989 228 99 GLY N N 106.938 0.019 1 990 229 100 TYR H H 8.860 0.003 1 991 229 100 TYR HA H 5.202 0.008 1 992 229 100 TYR HB2 H 2.419 0.009 2 993 229 100 TYR HB3 H 2.723 0.007 2 994 229 100 TYR HD1 H 6.776 0.003 1 995 229 100 TYR HD2 H 6.776 0.003 1 996 229 100 TYR HE1 H 6.631 0.005 1 997 229 100 TYR HE2 H 6.631 0.005 1 998 229 100 TYR C C 172.746 0.000 1 999 229 100 TYR CA C 57.422 0.170 1 1000 229 100 TYR CB C 43.576 0.198 1 1001 229 100 TYR CD1 C 132.829 0.000 1 1002 229 100 TYR CE1 C 117.963 0.000 1 1003 229 100 TYR N N 123.781 0.027 1 1004 230 101 LEU H H 8.634 0.003 1 1005 230 101 LEU HA H 4.748 0.007 1 1006 230 101 LEU HB2 H 1.198 0.011 2 1007 230 101 LEU HB3 H 1.387 0.012 2 1008 230 101 LEU HD1 H 0.586 0.007 2 1009 230 101 LEU HD2 H 0.649 0.010 2 1010 230 101 LEU C C 173.239 0.000 1 1011 230 101 LEU CA C 53.651 0.119 1 1012 230 101 LEU CB C 47.897 0.160 1 1013 230 101 LEU CD1 C 23.434 0.103 1 1014 230 101 LEU CD2 C 26.416 0.142 1 1015 230 101 LEU N N 123.426 0.011 1 1016 231 102 PHE H H 9.722 0.004 1 1017 231 102 PHE HA H 5.096 0.009 1 1018 231 102 PHE HB2 H 2.234 0.011 2 1019 231 102 PHE HB3 H 3.114 0.009 2 1020 231 102 PHE HD1 H 6.629 0.001 1 1021 231 102 PHE HD2 H 6.629 0.001 1 1022 231 102 PHE HE1 H 6.303 0.000 1 1023 231 102 PHE HE2 H 6.303 0.000 1 1024 231 102 PHE HZ H 6.510 0.002 1 1025 231 102 PHE C C 174.797 0.000 1 1026 231 102 PHE CA C 56.067 0.182 1 1027 231 102 PHE CB C 40.811 0.157 1 1028 231 102 PHE CD1 C 131.072 0.000 1 1029 231 102 PHE CE1 C 130.574 0.000 1 1030 231 102 PHE CZ C 128.151 0.000 1 1031 231 102 PHE N N 132.383 0.016 1 1032 232 103 VAL H H 8.666 0.003 1 1033 232 103 VAL HA H 3.706 0.009 1 1034 232 103 VAL HB H 2.001 0.007 1 1035 232 103 VAL HG1 H 0.807 0.000 2 1036 232 103 VAL HG2 H 0.868 0.012 2 1037 232 103 VAL C C 175.125 0.000 1 1038 232 103 VAL CA C 63.734 0.257 1 1039 232 103 VAL CB C 32.753 0.000 1 1040 232 103 VAL CG1 C 21.974 0.000 1 1041 232 103 VAL CG2 C 21.700 0.194 1 1042 232 103 VAL N N 130.856 0.047 1 1043 233 104 LYS H H 8.485 0.004 1 1044 233 104 LYS N N 126.222 0.017 1 1045 234 105 GLU H H 8.235 0.005 1 1046 234 105 GLU HA H 4.515 0.000 1 1047 234 105 GLU HB2 H 1.975 0.005 2 1048 234 105 GLU HB3 H 2.086 0.000 2 1049 234 105 GLU HG2 H 2.307 0.000 2 1050 234 105 GLU HG3 H 2.307 0.000 2 1051 234 105 GLU C C 176.082 0.000 1 1052 234 105 GLU CB C 30.672 0.084 1 1053 234 105 GLU CG C 36.616 0.000 1 1054 234 105 GLU N N 120.696 0.011 1 1055 235 106 THR H H 8.350 0.005 1 1056 235 106 THR HA H 4.405 0.010 1 1057 235 106 THR HB H 4.288 0.006 1 1058 235 106 THR HG2 H 1.195 0.009 1 1059 235 106 THR C C 173.693 0.000 1 1060 235 106 THR CA C 61.761 0.189 1 1061 235 106 THR CB C 69.762 0.058 1 1062 235 106 THR CG2 C 21.711 0.104 1 1063 235 106 THR N N 116.154 0.011 1 1064 236 107 ASN H H 8.213 0.002 1 1065 236 107 ASN HA H 4.533 0.022 1 1066 236 107 ASN HB2 H 2.788 0.008 2 1067 236 107 ASN HB3 H 2.788 0.008 2 1068 236 107 ASN C C 176.399 0.000 1 1069 236 107 ASN CA C 55.171 0.010 1 1070 236 107 ASN CB C 41.029 0.022 1 1071 236 107 ASN N N 127.414 0.028 1 1072 237 108 GLY H H 8.373 0.005 1 1073 237 108 GLY HA2 H 3.889 0.007 2 1074 237 108 GLY HA3 H 3.933 0.026 2 1075 237 108 GLY C C 177.616 0.000 1 1076 237 108 GLY CA C 45.916 0.027 1 1077 237 108 GLY N N 115.728 0.079 1 1078 238 109 LEU H H 8.321 0.001 1 1079 238 109 LEU C C 177.402 0.000 1 1080 238 109 LEU N N 124.042 0.025 1 stop_ save_