data_27067 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; BlaC ; _BMRB_accession_number 27067 _BMRB_flat_file_name bmr27067.str _Entry_type original _Submission_date 2017-04-07 _Accession_date 2017-04-07 _Entry_origination author _NMR_STAR_version 2.1.1 _Experimental_method NMR _Details 'Backbone assignment of Mycobacterium tuberculosis beta-lactamase, BlaC.' loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Elings Wouter . . 2 Ubbink Marcellus . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 248 "13C chemical shifts" 769 "15N chemical shifts" 248 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2017-11-10 original BMRB . stop_ _Original_release_date 2017-04-07 save_ ############################# # Citation for this entry # ############################# save_Entry _Saveframe_category entry_citation _Citation_full . _Citation_title ; Phosphate promotes the recovery of Mycobacterium tuberculosis \u03b2-lactamase from clavulanic acid inhibition ; _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 29087696 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Elings Wouter . . 2 Tassoni Raffaella . . 3 'van der Schoot' Steven A . 4 Luu Wendy . . 5 Kynast Josef P. . 6 Dai Lin . . 7 Blok Anneloes J. . 8 Timmer Monika . . 9 Florea Bogdan I. . 10 Pannu Navraj S. . 11 Ubbink Marcellus . . stop_ _Journal_abbreviation Biochemistry _Journal_volume 56 _Journal_issue 47 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 6257 _Page_last 6267 _Year 2017 _Details . loop_ _Keyword BlaC inhibition stop_ save_ ####################################### # Cited references within the entry # ####################################### save_CcpNmr _Saveframe_category citation _Citation_full . _Citation_title ; The CCPN data model for NMR spectroscopy: Development of a software pipeline ; _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 15815974 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Vranken Wim F. . 2 Boucher Wayne . . 3 Stevens Tim J. . 4 Fogh Rasmus H. . 5 Pajon Anne . . 6 Llinas Miquel . . 7 Ulrich Eldon L. . 8 Markley John L. . 9 Ionides John . . 10 Laue Ernest D. . stop_ _Journal_abbreviation Proteins _Journal_name_full . _Journal_volume 59 _Journal_issue 4 _Journal_CSD . _Book_title . _Book_chapter_title . _Book_volume . _Book_series . _Book_publisher . _Book_publisher_city . _Book_ISBN . _Conference_title . _Conference_site . _Conference_state_province . _Conference_country . _Conference_start_date . _Conference_end_date . _Conference_abstract_number . _Thesis_institution . _Thesis_institution_city . _Thesis_institution_country . _Page_first 687 _Page_last 696 _Year 2005 _Details . save_ save_Ambler1991 _Saveframe_category citation _Citation_full . _Citation_title ; A standard numbering scheme for the Class A beta-lactamases ; _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 6109327 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Ambler R P. . 2 Coulson A FW . stop_ _Journal_abbreviation 'Biochem. J.' _Journal_name_full . _Journal_volume 276 _Journal_issue . _Journal_CSD . _Book_title . _Book_chapter_title . _Book_volume . _Book_series . _Book_publisher . _Book_publisher_city . _Book_ISBN . _Conference_title . _Conference_site . _Conference_state_province . _Conference_country . _Conference_start_date . _Conference_end_date . _Conference_abstract_number . _Thesis_institution . _Thesis_institution_city . _Thesis_institution_country . _Page_first 269 _Page_last 272 _Year 1991 _Details . save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name BlaC _Enzyme_commission_number 3.5.2.6 loop_ _Mol_system_component_name _Mol_label BlaC $BlaC stop_ _System_molecular_weight . _System_physical_state native _System_oligomer_state ? _System_paramagnetic no _System_thiol_state . loop_ _Biological_function 'Hydrolysis of beta-lactam antibiotics' stop_ _Database_query_date . _Details 'Single polypetide chain' save_ ######################## # Monomeric polymers # ######################## save_BlaC _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common BlaC _Molecular_mass . _Mol_thiol_state unknown loop_ _Biological_function Beta-lactamase stop_ _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 274 _Mol_residue_sequence ; MDLADRFAELERRYDARLGV YVPATGTTAAIEYRADERFA FCSTFKAPLVAAVLHQNPLT HLDKLITYTSDDIRSISPVA QQHVQTGMTIGQLCDAAIRY SDGTAANLLLADLGGPGGGT AAFTGYLRSLGDTVSRLDAE EPELNRDPPGDERDTTTPHA IALVLQQLVLGNALPPDKRA LLTDWMARNTTGAKRIRAGF PADWKVIDKTGTGDYGRAND IAVVWSPTGVPYVVAVMSDR AGGGYDAEPREALLAEAATC VAGVLALEHHHHHH ; loop_ _Residue_seq_code _Residue_label 1 MET 2 ASP 3 LEU 4 ALA 5 ASP 6 ARG 7 PHE 8 ALA 9 GLU 10 LEU 11 GLU 12 ARG 13 ARG 14 TYR 15 ASP 16 ALA 17 ARG 18 LEU 19 GLY 20 VAL 21 TYR 22 VAL 23 PRO 24 ALA 25 THR 26 GLY 27 THR 28 THR 29 ALA 30 ALA 31 ILE 32 GLU 33 TYR 34 ARG 35 ALA 36 ASP 37 GLU 38 ARG 39 PHE 40 ALA 41 PHE 42 CYS 43 SER 44 THR 45 PHE 46 LYS 47 ALA 48 PRO 49 LEU 50 VAL 51 ALA 52 ALA 53 VAL 54 LEU 55 HIS 56 GLN 57 ASN 58 PRO 59 LEU 60 THR 61 HIS 62 LEU 63 ASP 64 LYS 65 LEU 66 ILE 67 THR 68 TYR 69 THR 70 SER 71 ASP 72 ASP 73 ILE 74 ARG 75 SER 76 ILE 77 SER 78 PRO 79 VAL 80 ALA 81 GLN 82 GLN 83 HIS 84 VAL 85 GLN 86 THR 87 GLY 88 MET 89 THR 90 ILE 91 GLY 92 GLN 93 LEU 94 CYS 95 ASP 96 ALA 97 ALA 98 ILE 99 ARG 100 TYR 101 SER 102 ASP 103 GLY 104 THR 105 ALA 106 ALA 107 ASN 108 LEU 109 LEU 110 LEU 111 ALA 112 ASP 113 LEU 114 GLY 115 GLY 116 PRO 117 GLY 118 GLY 119 GLY 120 THR 121 ALA 122 ALA 123 PHE 124 THR 125 GLY 126 TYR 127 LEU 128 ARG 129 SER 130 LEU 131 GLY 132 ASP 133 THR 134 VAL 135 SER 136 ARG 137 LEU 138 ASP 139 ALA 140 GLU 141 GLU 142 PRO 143 GLU 144 LEU 145 ASN 146 ARG 147 ASP 148 PRO 149 PRO 150 GLY 151 ASP 152 GLU 153 ARG 154 ASP 155 THR 156 THR 157 THR 158 PRO 159 HIS 160 ALA 161 ILE 162 ALA 163 LEU 164 VAL 165 LEU 166 GLN 167 GLN 168 LEU 169 VAL 170 LEU 171 GLY 172 ASN 173 ALA 174 LEU 175 PRO 176 PRO 177 ASP 178 LYS 179 ARG 180 ALA 181 LEU 182 LEU 183 THR 184 ASP 185 TRP 186 MET 187 ALA 188 ARG 189 ASN 190 THR 191 THR 192 GLY 193 ALA 194 LYS 195 ARG 196 ILE 197 ARG 198 ALA 199 GLY 200 PHE 201 PRO 202 ALA 203 ASP 204 TRP 205 LYS 206 VAL 207 ILE 208 ASP 209 LYS 210 THR 211 GLY 212 THR 213 GLY 214 ASP 215 TYR 216 GLY 217 ARG 218 ALA 219 ASN 220 ASP 221 ILE 222 ALA 223 VAL 224 VAL 225 TRP 226 SER 227 PRO 228 THR 229 GLY 230 VAL 231 PRO 232 TYR 233 VAL 234 VAL 235 ALA 236 VAL 237 MET 238 SER 239 ASP 240 ARG 241 ALA 242 GLY 243 GLY 244 GLY 245 TYR 246 ASP 247 ALA 248 GLU 249 PRO 250 ARG 251 GLU 252 ALA 253 LEU 254 LEU 255 ALA 256 GLU 257 ALA 258 ALA 259 THR 260 CYS 261 VAL 262 ALA 263 GLY 264 VAL 265 LEU 266 ALA 267 LEU 268 GLU 269 HIS 270 HIS 271 HIS 272 HIS 273 HIS 274 HIS stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date . 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 UNP P9WKD3 BlaC . . . . . stop_ save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species _Gene_mnemonic $BlaC 'Mycobacterium tuberculosis' 1773 Bacteria . Mycobacterium tuberculosis blaC 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 _Details $BlaC 'recombinant technology' . Escherichia coli BL21(DE3) pET28a 'Residues 2-266 correspond to Uniprot P9WKD3[43 - 307].' 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 $BlaC 0.75 mM '[U-100% 13C; U-100% 15N; U-80% 2H]' MES 20 mM 'natural abundance' DTT 1 mM 'natural abundance' D2O 6 % [U-2H] stop_ save_ ############################ # Computer software used # ############################ save_TOPSPIN _Saveframe_category software _Name TOPSPIN _Version 3.2 loop_ _Vendor _Address _Electronic_address 'Bruker Biospin' . . stop_ loop_ _Task collection processing stop_ _Details . save_ save_CcpNmr_Analysis _Saveframe_category software _Name CcpNmr_Analysis _Version 2.4.0 loop_ _Vendor _Address _Electronic_address CCPN . . stop_ loop_ _Task 'chemical shift assignment' 'peak picking' stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _Field_strength 850 _Details 'TCI cryoprobe' save_ ############################# # NMR applied experiments # ############################# save_2D_1H-15N_HSQC_1 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N HSQC' _Sample_label $sample_1 save_ save_3D_HNCA_2 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCA' _Sample_label $sample_1 save_ save_3D_HNCACB_3 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCACB' _Sample_label $sample_1 save_ save_3D_CBCA(CO)NH_4 _Saveframe_category NMR_applied_experiment _Experiment_name '3D CBCA(CO)NH' _Sample_label $sample_1 save_ save_3D_HNCO_5 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCO' _Sample_label $sample_1 save_ save_3D_HN(CA)CO_6 _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 6.0 . pH pressure 1 . atm temperature 298 . K stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference_HNCaCb _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 water C 13 protons ppm 4.700 internal indirect . . . 0.251449530 water H 1 protons ppm 4.700 internal direct . . . 1.000000000 water N 15 protons ppm 4.700 internal 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 $TOPSPIN $CcpNmr_Analysis stop_ loop_ _Experiment_label '2D 1H-15N HSQC' '3D HNCA' '3D HNCACB' '3D CBCA(CO)NH' '3D HNCO' '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_HNCaCb _Mol_system_component_name BlaC _Text_data_format . _Text_data . loop_ _Atom_shift_assign_ID _Residue_author_seq_code _Residue_seq_code _Residue_label _Atom_name _Atom_type _Chem_shift_value _Chem_shift_value_error _Chem_shift_ambiguity_code 1 2 2 ASP C C 176.576 0.000 1 2 2 2 ASP CA C 53.610 0.018 1 3 2 2 ASP CB C 41.128 0.009 1 4 3 3 LEU H H 8.424 0.000 1 5 3 3 LEU C C 177.424 0.000 1 6 3 3 LEU CA C 56.937 0.030 1 7 3 3 LEU CB C 40.462 0.129 1 8 3 3 LEU N N 123.701 0.000 1 9 4 4 ALA H H 8.253 0.000 1 10 4 4 ALA C C 179.977 0.000 1 11 4 4 ALA CA C 55.597 0.053 1 12 4 4 ALA CB C 17.481 0.008 1 13 4 4 ALA N N 120.503 0.000 1 14 5 5 ASP H H 7.618 0.000 1 15 5 5 ASP C C 179.351 0.000 1 16 5 5 ASP CA C 56.514 0.010 1 17 5 5 ASP CB C 39.938 0.027 1 18 5 5 ASP N N 116.151 0.000 1 19 6 6 ARG H H 7.488 0.000 1 20 6 6 ARG C C 179.835 0.000 1 21 6 6 ARG CA C 57.742 0.009 1 22 6 6 ARG CB C 28.403 0.020 1 23 6 6 ARG N N 121.092 0.000 1 24 7 7 PHE H H 8.058 0.000 1 25 7 7 PHE C C 177.755 0.000 1 26 7 7 PHE CA C 58.353 0.200 1 27 7 7 PHE CB C 34.363 0.007 1 28 7 7 PHE N N 120.227 0.000 1 29 8 8 ALA H H 8.110 0.000 1 30 8 8 ALA C C 180.847 0.000 1 31 8 8 ALA CA C 54.987 0.044 1 32 8 8 ALA CB C 17.308 0.067 1 33 8 8 ALA N N 122.233 0.000 1 34 9 9 GLU H H 7.584 0.000 1 35 9 9 GLU C C 178.991 0.000 1 36 9 9 GLU CA C 59.255 0.014 1 37 9 9 GLU CB C 27.757 0.011 1 38 9 9 GLU N N 119.599 0.000 1 39 10 10 LEU H H 7.624 0.000 1 40 10 10 LEU C C 179.487 0.000 1 41 10 10 LEU CA C 57.684 0.039 1 42 10 10 LEU CB C 40.100 0.011 1 43 10 10 LEU N N 119.682 0.000 1 44 11 11 GLU H H 7.943 0.000 1 45 11 11 GLU C C 179.755 0.000 1 46 11 11 GLU CA C 60.589 0.034 1 47 11 11 GLU CB C 29.129 0.015 1 48 11 11 GLU N N 118.196 0.000 1 49 12 12 ARG H H 7.631 0.000 1 50 12 12 ARG C C 179.626 0.000 1 51 12 12 ARG CA C 58.672 0.046 1 52 12 12 ARG CB C 29.448 0.184 1 53 12 12 ARG N N 117.763 0.000 1 54 13 13 ARG H H 8.537 0.000 1 55 13 13 ARG C C 178.349 0.000 1 56 13 13 ARG CA C 58.786 0.026 1 57 13 13 ARG CB C 29.531 0.014 1 58 13 13 ARG N N 121.094 0.000 1 59 14 14 TYR H H 8.108 0.000 1 60 14 14 TYR C C 174.774 0.000 1 61 14 14 TYR CA C 58.905 0.063 1 62 14 14 TYR CB C 37.701 0.004 1 63 14 14 TYR N N 113.323 0.000 1 64 15 15 ASP H H 7.722 0.000 1 65 15 15 ASP C C 174.775 0.000 1 66 15 15 ASP CA C 54.536 0.059 1 67 15 15 ASP CB C 38.834 0.030 1 68 15 15 ASP N N 123.210 0.000 1 69 16 16 ALA H H 8.508 0.000 1 70 16 16 ALA C C 174.634 0.000 1 71 16 16 ALA CA C 50.471 0.031 1 72 16 16 ALA CB C 25.046 0.021 1 73 16 16 ALA N N 121.837 0.000 1 74 17 17 ARG H H 9.103 0.000 1 75 17 17 ARG C C 173.928 0.000 1 76 17 17 ARG CA C 54.887 0.011 1 77 17 17 ARG CB C 31.951 0.007 1 78 17 17 ARG N N 122.318 0.000 1 79 18 18 LEU H H 10.285 0.000 1 80 18 18 LEU C C 172.597 0.000 1 81 18 18 LEU CA C 52.850 0.053 1 82 18 18 LEU CB C 47.194 0.019 1 83 18 18 LEU N N 131.411 0.000 1 84 19 19 GLY H H 8.878 0.000 1 85 19 19 GLY C C 172.348 0.000 1 86 19 19 GLY CA C 43.440 0.021 1 87 19 19 GLY N N 111.098 0.000 1 88 20 20 VAL H H 9.509 0.000 1 89 20 20 VAL C C 175.312 0.000 1 90 20 20 VAL CA C 59.770 0.065 1 91 20 20 VAL CB C 36.013 0.012 1 92 20 20 VAL N N 123.544 0.000 1 93 21 21 TYR H H 8.621 0.000 1 94 21 21 TYR C C 173.355 0.074 1 95 21 21 TYR CA C 58.461 0.012 1 96 21 21 TYR CB C 41.358 0.017 1 97 21 21 TYR N N 124.497 0.000 1 98 22 22 VAL H H 7.913 0.000 1 99 22 22 VAL C C 173.650 0.000 1 100 22 22 VAL CA C 57.247 0.000 1 101 22 22 VAL CB C 34.815 0.000 1 102 22 22 VAL N N 128.694 0.000 1 103 23 23 PRO C C 176.408 0.000 1 104 23 23 PRO CA C 61.642 0.018 1 105 23 23 PRO CB C 31.087 0.059 1 106 24 24 ALA H H 8.391 0.000 1 107 24 24 ALA C C 178.456 0.000 1 108 24 24 ALA CA C 52.308 0.008 1 109 24 24 ALA CB C 18.810 0.017 1 110 24 24 ALA N N 123.604 0.000 1 111 25 25 THR H H 8.435 0.000 1 112 25 25 THR C C 174.959 0.000 1 113 25 25 THR CA C 60.249 0.042 1 114 25 25 THR CB C 71.144 0.015 1 115 25 25 THR N N 113.850 0.000 1 116 26 26 GLY H H 8.610 0.000 1 117 26 26 GLY C C 175.482 0.000 1 118 26 26 GLY CA C 46.343 0.011 1 119 26 26 GLY N N 108.612 0.000 1 120 27 27 THR H H 7.794 0.000 1 121 27 27 THR C C 174.331 0.000 1 122 27 27 THR CA C 60.985 0.044 1 123 27 27 THR CB C 69.338 0.024 1 124 27 27 THR N N 108.613 0.000 1 125 28 28 THR H H 7.388 0.000 1 126 28 28 THR C C 173.469 0.000 1 127 28 28 THR CA C 60.115 0.006 1 128 28 28 THR CB C 70.638 0.011 1 129 28 28 THR N N 114.868 0.000 1 130 29 29 ALA H H 8.134 0.000 1 131 29 29 ALA C C 178.003 0.000 1 132 29 29 ALA CA C 50.717 0.035 1 133 29 29 ALA CB C 18.725 0.018 1 134 29 29 ALA N N 126.403 0.000 1 135 30 30 ALA H H 8.542 0.000 1 136 30 30 ALA C C 178.331 0.000 1 137 30 30 ALA CA C 52.086 0.022 1 138 30 30 ALA CB C 17.657 0.018 1 139 30 30 ALA N N 122.718 0.000 1 140 31 31 ILE H H 8.286 0.000 1 141 31 31 ILE C C 173.920 0.000 1 142 31 31 ILE CA C 60.580 0.013 1 143 31 31 ILE CB C 38.429 0.005 1 144 31 31 ILE N N 123.430 0.000 1 145 32 32 GLU H H 8.500 0.000 1 146 32 32 GLU C C 175.208 0.000 1 147 32 32 GLU CA C 53.662 0.002 1 148 32 32 GLU CB C 32.704 0.009 1 149 32 32 GLU N N 122.621 0.000 1 150 33 33 TYR H H 8.716 0.000 1 151 33 33 TYR C C 173.439 0.000 1 152 33 33 TYR CA C 59.838 0.046 1 153 33 33 TYR CB C 41.114 0.035 1 154 33 33 TYR N N 124.312 0.000 1 155 34 34 ARG H H 8.693 0.000 1 156 34 34 ARG C C 177.048 0.000 1 157 34 34 ARG CA C 57.420 0.044 1 158 34 34 ARG CB C 26.368 0.014 1 159 34 34 ARG N N 124.711 0.000 1 160 35 35 ALA H H 7.981 0.000 1 161 35 35 ALA C C 177.218 0.000 1 162 35 35 ALA CA C 54.637 0.045 1 163 35 35 ALA CB C 20.002 0.015 1 164 35 35 ALA N N 115.174 0.000 1 165 36 36 ASP H H 8.293 0.000 1 166 36 36 ASP C C 175.865 0.000 1 167 36 36 ASP CA C 52.626 0.024 1 168 36 36 ASP CB C 41.203 0.006 1 169 36 36 ASP N N 112.041 0.000 1 170 37 37 GLU H H 7.218 0.000 1 171 37 37 GLU C C 174.815 0.000 1 172 37 37 GLU CA C 55.899 0.045 1 173 37 37 GLU CB C 29.928 0.011 1 174 37 37 GLU N N 120.659 0.000 1 175 38 38 ARG H H 8.063 0.000 1 176 38 38 ARG C C 178.607 0.000 1 177 38 38 ARG CA C 55.218 0.085 1 178 38 38 ARG CB C 30.435 0.149 1 179 38 38 ARG N N 115.791 0.000 1 180 39 39 PHE H H 9.025 0.000 1 181 39 39 PHE C C 174.245 0.000 1 182 39 39 PHE CA C 56.227 0.038 1 183 39 39 PHE CB C 42.417 0.018 1 184 39 39 PHE N N 122.017 0.000 1 185 40 40 ALA H H 8.722 0.000 1 186 40 40 ALA C C 178.696 0.000 1 187 40 40 ALA CA C 52.441 0.026 1 188 40 40 ALA CB C 19.329 0.024 1 189 40 40 ALA N N 125.479 0.000 1 190 41 41 PHE H H 8.307 0.000 1 191 41 41 PHE C C 182.153 0.084 1 192 41 41 PHE CA C 62.085 0.144 1 193 41 41 PHE CB C 40.145 0.030 1 194 41 41 PHE N N 120.994 0.000 1 195 42 42 CYS H H 10.594 0.000 1 196 42 42 CYS C C 175.667 0.000 1 197 42 42 CYS CA C 61.173 0.000 1 198 42 42 CYS CB C 27.085 0.000 1 199 42 42 CYS N N 117.966 0.000 1 200 43 43 SER C C 175.869 0.000 1 201 44 44 THR H H 7.510 0.000 1 202 44 44 THR C C 176.343 0.000 1 203 44 44 THR CA C 65.428 0.014 1 204 44 44 THR CB C 68.253 0.032 1 205 44 44 THR N N 111.954 0.000 1 206 45 45 PHE H H 7.095 0.000 1 207 45 45 PHE C C 174.086 0.000 1 208 45 45 PHE CA C 58.367 0.052 1 209 45 45 PHE CB C 36.148 0.047 1 210 45 45 PHE N N 116.617 0.000 1 211 46 46 LYS H H 6.868 0.000 1 212 46 46 LYS C C 176.331 0.046 1 213 46 46 LYS CA C 58.826 0.061 1 214 46 46 LYS CB C 30.978 0.004 1 215 46 46 LYS N N 119.181 0.000 1 216 47 47 ALA H H 6.743 0.000 1 217 47 47 ALA C C 174.367 0.000 1 218 47 47 ALA CA C 55.443 0.000 1 219 47 47 ALA CB C 14.670 0.000 1 220 47 47 ALA N N 115.278 0.000 1 221 48 48 PRO C C 176.108 0.000 1 222 48 48 PRO CA C 64.265 0.031 1 223 48 48 PRO CB C 29.003 0.010 1 224 49 49 LEU H H 8.036 0.000 1 225 49 49 LEU C C 176.486 0.000 1 226 49 49 LEU CA C 57.953 0.021 1 227 49 49 LEU CB C 40.960 0.012 1 228 49 49 LEU N N 120.235 0.000 1 229 50 50 VAL H H 7.280 0.000 1 230 50 50 VAL C C 177.657 0.000 1 231 50 50 VAL CA C 66.475 0.036 1 232 50 50 VAL CB C 30.645 0.025 1 233 50 50 VAL N N 118.480 0.000 1 234 51 51 ALA H H 7.374 0.000 1 235 51 51 ALA C C 177.065 0.000 1 236 51 51 ALA CA C 55.271 0.053 1 237 51 51 ALA CB C 19.751 0.017 1 238 51 51 ALA N N 120.016 0.000 1 239 52 52 ALA H H 7.974 0.000 1 240 52 52 ALA C C 179.914 0.000 1 241 52 52 ALA CA C 54.882 0.016 1 242 52 52 ALA CB C 17.275 0.071 1 243 52 52 ALA N N 121.507 0.000 1 244 53 53 VAL H H 7.632 0.000 1 245 53 53 VAL C C 179.438 0.000 1 246 53 53 VAL CA C 65.858 0.047 1 247 53 53 VAL CB C 31.248 0.035 1 248 53 53 VAL N N 118.924 0.000 1 249 54 54 LEU H H 8.527 0.000 1 250 54 54 LEU C C 178.956 0.000 1 251 54 54 LEU CA C 56.621 0.029 1 252 54 54 LEU CB C 41.133 0.022 1 253 54 54 LEU N N 119.103 0.000 1 254 55 55 HIS H H 9.158 0.000 1 255 55 55 HIS C C 177.686 0.000 1 256 55 55 HIS CA C 58.760 0.025 1 257 55 55 HIS CB C 29.609 0.028 1 258 55 55 HIS N N 117.913 0.000 1 259 56 56 GLN H H 7.441 0.000 1 260 56 56 GLN C C 174.327 0.000 1 261 56 56 GLN CA C 55.999 0.020 1 262 56 56 GLN CB C 29.043 0.000 1 263 56 56 GLN N N 113.440 0.000 1 264 57 57 ASN H H 6.927 0.000 1 265 57 57 ASN C C 171.991 0.000 1 266 57 57 ASN CA C 50.965 0.000 1 267 57 57 ASN CB C 42.948 0.000 1 268 57 57 ASN N N 115.170 0.000 1 269 58 58 PRO C C 179.084 0.000 1 270 58 58 PRO CA C 61.369 0.000 1 271 58 58 PRO CB C 31.532 0.012 1 272 59 59 LEU H H 9.055 0.000 1 273 59 59 LEU C C 180.205 0.000 1 274 59 59 LEU CA C 57.621 0.022 1 275 59 59 LEU CB C 40.470 0.008 1 276 59 59 LEU N N 122.812 0.000 1 277 60 60 THR H H 7.473 0.000 1 278 60 60 THR C C 177.177 0.000 1 279 60 60 THR CA C 63.509 0.027 1 280 60 60 THR CB C 67.891 0.012 1 281 60 60 THR N N 109.710 0.000 1 282 61 61 HIS H H 8.001 0.000 1 283 61 61 HIS C C 177.687 0.000 1 284 61 61 HIS CA C 57.341 0.013 1 285 61 61 HIS CB C 30.248 0.011 1 286 61 61 HIS N N 122.591 0.000 1 287 62 62 LEU H H 7.520 0.000 1 288 62 62 LEU C C 177.467 0.000 1 289 62 62 LEU CA C 56.421 0.008 1 290 62 62 LEU CB C 39.516 0.004 1 291 62 62 LEU N N 113.688 0.000 1 292 63 63 ASP H H 7.026 0.000 1 293 63 63 ASP C C 175.465 0.000 1 294 63 63 ASP CA C 53.992 0.055 1 295 63 63 ASP CB C 40.780 0.030 1 296 63 63 ASP N N 115.089 0.000 1 297 64 64 LYS H H 7.248 0.000 1 298 64 64 LYS C C 175.054 0.000 1 299 64 64 LYS CA C 56.919 0.052 1 300 64 64 LYS CB C 31.820 0.015 1 301 64 64 LYS N N 122.915 0.000 1 302 65 65 LEU H H 8.258 0.000 1 303 65 65 LEU C C 175.111 0.000 1 304 65 65 LEU CA C 55.021 0.072 1 305 65 65 LEU CB C 42.222 0.012 1 306 65 65 LEU N N 129.208 0.000 1 307 66 66 ILE H H 8.915 0.000 1 308 66 66 ILE C C 175.166 0.000 1 309 66 66 ILE CA C 58.135 0.035 1 310 66 66 ILE CB C 35.918 0.002 1 311 66 66 ILE N N 131.294 0.000 1 312 67 67 THR H H 7.926 0.000 1 313 67 67 THR C C 173.356 0.000 1 314 67 67 THR CA C 59.764 0.071 1 315 67 67 THR CB C 69.933 0.028 1 316 67 67 THR N N 117.409 0.000 1 317 68 68 TYR H H 8.283 0.000 1 318 68 68 TYR C C 173.019 0.000 1 319 68 68 TYR CA C 55.783 0.015 1 320 68 68 TYR CB C 37.158 0.038 1 321 68 68 TYR N N 120.024 0.000 1 322 69 69 THR H H 9.235 0.000 1 323 69 69 THR C C 176.518 0.000 1 324 69 69 THR CA C 59.603 0.026 1 325 69 69 THR CB C 72.666 0.027 1 326 69 69 THR N N 109.399 0.000 1 327 70 70 SER H H 8.944 0.000 1 328 70 70 SER C C 177.034 0.000 1 329 70 70 SER CA C 61.599 0.101 1 330 70 70 SER CB C 62.322 0.030 1 331 70 70 SER N N 115.805 0.000 1 332 71 71 ASP H H 7.777 0.000 1 333 71 71 ASP C C 176.786 0.000 1 334 71 71 ASP CA C 55.890 0.003 1 335 71 71 ASP CB C 40.090 0.038 1 336 71 71 ASP N N 120.391 0.000 1 337 72 72 ASP H H 7.607 0.000 1 338 72 72 ASP C C 175.502 0.000 1 339 72 72 ASP CA C 55.471 0.000 1 340 72 72 ASP CB C 41.128 0.009 1 341 72 72 ASP N N 116.465 0.000 1 342 73 73 ILE H H 7.261 0.000 1 343 73 73 ILE C C 175.521 0.000 1 344 73 73 ILE CA C 60.367 0.054 1 345 73 73 ILE CB C 34.579 0.010 1 346 73 73 ILE N N 119.882 0.000 1 347 74 74 ARG H H 8.077 0.000 1 348 74 74 ARG C C 174.228 0.000 1 349 74 74 ARG CA C 54.606 0.079 1 350 74 74 ARG CB C 30.832 0.008 1 351 74 74 ARG N N 127.382 0.000 1 352 75 75 SER H H 7.592 0.000 1 353 75 75 SER C C 175.487 0.000 1 354 75 75 SER CA C 56.506 0.026 1 355 75 75 SER CB C 65.844 0.088 1 356 75 75 SER N N 112.771 0.000 1 357 76 76 ILE H H 8.909 0.000 1 358 76 76 ILE C C 177.439 0.012 1 359 76 76 ILE CA C 63.822 0.073 1 360 76 76 ILE CB C 35.604 0.011 1 361 76 76 ILE N N 125.285 0.000 1 362 77 77 SER H H 8.981 0.000 1 363 77 77 SER C C 171.328 0.000 1 364 77 77 SER CA C 55.152 0.000 1 365 77 77 SER CB C 64.967 0.000 1 366 77 77 SER N N 125.885 0.000 1 367 78 78 PRO C C 177.775 0.000 1 368 78 78 PRO CA C 63.939 0.000 1 369 78 78 PRO CB C 31.640 0.000 1 370 79 79 VAL H H 8.345 0.000 1 371 79 79 VAL C C 179.201 0.000 1 372 79 79 VAL CA C 63.848 0.139 1 373 79 79 VAL CB C 32.082 0.049 1 374 79 79 VAL N N 117.018 0.000 1 375 80 80 ALA H H 10.218 0.000 1 376 80 80 ALA C C 183.221 0.000 1 377 80 80 ALA CA C 54.053 0.042 1 378 80 80 ALA CB C 16.468 0.019 1 379 80 80 ALA N N 125.360 0.000 1 380 81 81 GLN H H 7.899 0.000 1 381 81 81 GLN C C 176.447 0.000 1 382 81 81 GLN CA C 58.011 0.050 1 383 81 81 GLN CB C 27.521 0.039 1 384 81 81 GLN N N 114.804 0.000 1 385 82 82 GLN H H 7.399 0.000 1 386 82 82 GLN C C 176.852 0.000 1 387 82 82 GLN CA C 55.930 0.069 1 388 82 82 GLN CB C 28.371 0.053 1 389 82 82 GLN N N 115.367 0.000 1 390 83 83 HIS H H 6.894 0.000 1 391 83 83 HIS C C 173.947 0.000 1 392 83 83 HIS CA C 54.957 0.043 1 393 83 83 HIS CB C 29.117 0.043 1 394 83 83 HIS N N 114.473 0.000 1 395 84 84 VAL H H 7.144 0.000 1 396 84 84 VAL C C 176.454 0.000 1 397 84 84 VAL CA C 64.863 0.055 1 398 84 84 VAL CB C 31.125 0.003 1 399 84 84 VAL N N 120.788 0.000 1 400 85 85 GLN H H 8.309 0.000 1 401 85 85 GLN C C 177.566 0.000 1 402 85 85 GLN CA C 57.585 0.036 1 403 85 85 GLN CB C 27.893 0.030 1 404 85 85 GLN N N 114.625 0.000 1 405 86 86 THR H H 7.106 0.000 1 406 86 86 THR C C 176.240 0.000 1 407 86 86 THR CA C 61.794 0.027 1 408 86 86 THR CB C 70.419 0.030 1 409 86 86 THR N N 106.286 0.000 1 410 87 87 GLY H H 7.940 0.000 1 411 87 87 GLY C C 173.692 0.000 1 412 87 87 GLY CA C 44.918 0.027 1 413 87 87 GLY N N 112.067 0.000 1 414 88 88 MET H H 8.623 0.000 1 415 88 88 MET C C 175.062 0.000 1 416 88 88 MET CA C 54.782 0.016 1 417 88 88 MET CB C 38.127 0.066 1 418 88 88 MET N N 116.312 0.000 1 419 89 89 THR H H 8.610 0.000 1 420 89 89 THR C C 176.357 0.000 1 421 89 89 THR CA C 59.843 0.035 1 422 89 89 THR CB C 69.926 0.017 1 423 89 89 THR N N 113.268 0.000 1 424 90 90 ILE H H 8.126 0.000 1 425 90 90 ILE C C 179.451 0.000 1 426 90 90 ILE CA C 62.454 0.019 1 427 90 90 ILE CB C 34.306 0.013 1 428 90 90 ILE N N 121.112 0.000 1 429 91 91 GLY H H 9.926 0.000 1 430 91 91 GLY C C 176.105 0.000 1 431 91 91 GLY CA C 47.685 0.013 1 432 91 91 GLY N N 109.342 0.000 1 433 92 92 GLN H H 7.778 0.000 1 434 92 92 GLN C C 180.218 0.000 1 435 92 92 GLN CA C 58.141 0.023 1 436 92 92 GLN CB C 27.668 0.016 1 437 92 92 GLN N N 121.729 0.000 1 438 93 93 LEU H H 8.846 0.000 1 439 93 93 LEU C C 178.412 0.000 1 440 93 93 LEU CA C 57.518 0.114 1 441 93 93 LEU CB C 39.727 0.009 1 442 93 93 LEU N N 123.177 0.000 1 443 94 94 CYS H H 8.131 0.000 1 444 94 94 CYS C C 175.124 0.000 1 445 94 94 CYS CA C 63.269 0.027 1 446 94 94 CYS CB C 26.444 0.023 1 447 94 94 CYS N N 119.680 0.000 1 448 95 95 ASP H H 6.763 0.000 1 449 95 95 ASP C C 177.086 0.000 1 450 95 95 ASP CA C 56.275 0.092 1 451 95 95 ASP CB C 41.940 0.017 1 452 95 95 ASP N N 118.331 0.000 1 453 96 96 ALA H H 7.750 0.000 1 454 96 96 ALA C C 181.195 0.000 1 455 96 96 ALA CA C 54.921 0.020 1 456 96 96 ALA CB C 17.359 0.086 1 457 96 96 ALA N N 118.481 0.000 1 458 97 97 ALA H H 8.595 0.000 1 459 97 97 ALA C C 179.642 0.000 1 460 97 97 ALA CA C 54.561 0.016 1 461 97 97 ALA CB C 16.501 0.043 1 462 97 97 ALA N N 121.029 0.000 1 463 98 98 ILE H H 7.364 0.000 1 464 98 98 ILE C C 176.657 0.003 1 465 98 98 ILE CA C 62.823 0.044 1 466 98 98 ILE CB C 36.169 0.024 1 467 98 98 ILE N N 112.255 0.000 1 468 99 99 ARG H H 8.926 0.000 1 469 99 99 ARG C C 177.041 0.027 1 470 99 99 ARG CA C 59.586 0.032 1 471 99 99 ARG CB C 28.929 0.117 1 472 99 99 ARG N N 114.601 0.000 1 473 100 100 TYR H H 7.289 0.000 1 474 100 100 TYR C C 174.251 0.000 1 475 100 100 TYR CA C 57.298 0.000 1 476 100 100 TYR CB C 39.301 0.000 1 477 100 100 TYR N N 112.700 0.000 1 478 101 101 SER C C 175.074 0.000 1 479 101 101 SER CB C 63.227 0.126 1 480 102 102 ASP H H 7.426 0.000 1 481 102 102 ASP C C 177.385 0.037 1 482 102 102 ASP CA C 56.268 0.063 1 483 102 102 ASP CB C 44.333 0.034 1 484 102 102 ASP N N 123.491 0.000 1 485 103 103 GLY H H 8.747 0.000 1 486 103 103 GLY C C 174.912 0.000 1 487 103 103 GLY CA C 47.438 0.153 1 488 103 103 GLY N N 117.640 0.000 1 489 104 104 THR H H 7.779 0.000 1 490 104 104 THR C C 175.940 0.000 1 491 104 104 THR CA C 66.734 0.112 1 492 104 104 THR CB C 67.402 0.067 1 493 104 104 THR N N 121.219 0.000 1 494 105 105 ALA H H 9.303 0.000 1 495 105 105 ALA C C 178.736 0.000 1 496 105 105 ALA CA C 54.501 0.040 1 497 105 105 ALA CB C 17.901 0.043 1 498 105 105 ALA N N 123.262 0.000 1 499 106 106 ALA H H 7.093 0.000 1 500 106 106 ALA C C 177.958 0.000 1 501 106 106 ALA CA C 54.129 0.021 1 502 106 106 ALA CB C 18.371 0.036 1 503 106 106 ALA N N 115.829 0.000 1 504 107 107 ASN H H 7.962 0.000 1 505 107 107 ASN C C 179.860 0.000 1 506 107 107 ASN CA C 55.363 0.118 1 507 107 107 ASN CB C 35.971 0.054 1 508 107 107 ASN N N 120.019 0.000 1 509 108 108 LEU H H 8.605 0.000 1 510 108 108 LEU C C 180.411 0.000 1 511 108 108 LEU CA C 57.273 0.156 1 512 108 108 LEU CB C 40.287 0.121 1 513 108 108 LEU N N 123.281 0.000 1 514 109 109 LEU H H 7.965 0.000 1 515 109 109 LEU C C 178.828 0.000 1 516 109 109 LEU CA C 57.231 0.306 1 517 109 109 LEU CB C 40.244 0.113 1 518 109 109 LEU N N 122.398 0.000 1 519 110 110 LEU H H 8.477 0.000 1 520 110 110 LEU C C 178.531 0.000 1 521 110 110 LEU CA C 58.066 0.041 1 522 110 110 LEU CB C 40.623 0.218 1 523 110 110 LEU N N 121.466 0.000 1 524 111 111 ALA H H 7.453 0.000 1 525 111 111 ALA C C 180.686 0.000 1 526 111 111 ALA CA C 53.609 0.029 1 527 111 111 ALA CB C 16.610 0.036 1 528 111 111 ALA N N 119.690 0.000 1 529 112 112 ASP H H 7.744 0.000 1 530 112 112 ASP C C 177.616 0.000 1 531 112 112 ASP CA C 57.148 0.019 1 532 112 112 ASP CB C 41.863 0.029 1 533 112 112 ASP N N 121.291 0.000 1 534 113 113 LEU H H 7.911 0.000 1 535 113 113 LEU C C 179.059 0.017 1 536 113 113 LEU CA C 56.462 0.106 1 537 113 113 LEU CB C 41.856 0.026 1 538 113 113 LEU N N 118.237 0.000 1 539 114 114 GLY H H 7.838 0.000 1 540 114 114 GLY C C 174.162 0.012 1 541 114 114 GLY CA C 44.333 0.051 1 542 114 114 GLY N N 101.702 0.000 1 543 115 115 GLY H H 7.870 0.000 1 544 115 115 GLY C C 171.733 0.000 1 545 115 115 GLY CA C 46.077 0.000 1 546 115 115 GLY N N 109.183 0.000 1 547 116 116 PRO C C 178.742 0.000 1 548 116 116 PRO CA C 63.644 0.000 1 549 116 116 PRO CB C 30.495 0.000 1 550 117 117 GLY H H 8.845 0.000 1 551 117 117 GLY C C 175.496 0.000 1 552 117 117 GLY CA C 45.509 0.023 1 553 117 117 GLY N N 113.148 0.000 1 554 118 118 GLY H H 7.933 0.000 1 555 118 118 GLY C C 175.845 0.000 1 556 118 118 GLY CA C 44.721 0.018 1 557 118 118 GLY N N 108.570 0.000 1 558 119 119 GLY H H 8.208 0.000 1 559 119 119 GLY C C 175.661 0.000 1 560 119 119 GLY CA C 48.265 0.031 1 561 119 119 GLY N N 111.154 0.000 1 562 120 120 THR H H 8.365 0.000 1 563 120 120 THR C C 177.786 0.000 1 564 120 120 THR CA C 65.729 0.213 1 565 120 120 THR N N 113.557 0.000 1 566 121 121 ALA H H 7.588 0.000 1 567 121 121 ALA C C 180.894 0.000 1 568 121 121 ALA CA C 54.627 0.042 1 569 121 121 ALA CB C 17.133 0.010 1 570 121 121 ALA N N 127.062 0.000 1 571 122 122 ALA H H 8.167 0.000 1 572 122 122 ALA C C 180.868 0.000 1 573 122 122 ALA CA C 54.275 0.132 1 574 122 122 ALA CB C 17.860 0.000 1 575 122 122 ALA N N 123.904 0.000 1 576 123 123 PHE H H 8.850 0.000 1 577 123 123 PHE C C 176.080 0.000 1 578 123 123 PHE CA C 61.272 0.006 1 579 123 123 PHE CB C 38.287 0.003 1 580 123 123 PHE N N 121.145 0.000 1 581 124 124 THR H H 8.234 0.000 1 582 124 124 THR C C 176.000 0.000 1 583 124 124 THR CA C 68.101 0.078 1 584 124 124 THR N N 118.637 0.000 1 585 125 125 GLY H H 8.341 0.000 1 586 125 125 GLY C C 176.614 0.000 1 587 125 125 GLY CA C 46.422 0.020 1 588 125 125 GLY N N 107.674 0.000 1 589 126 126 TYR H H 7.944 0.000 1 590 126 126 TYR C C 179.225 0.000 1 591 126 126 TYR CA C 60.683 0.006 1 592 126 126 TYR CB C 36.357 0.020 1 593 126 126 TYR N N 125.761 0.000 1 594 127 127 LEU H H 7.486 0.000 1 595 127 127 LEU C C 180.281 0.022 1 596 127 127 LEU CA C 58.102 0.112 1 597 127 127 LEU CB C 37.662 0.036 1 598 127 127 LEU N N 120.127 0.000 1 599 128 128 ARG H H 8.114 0.000 1 600 128 128 ARG C C 181.522 0.000 1 601 128 128 ARG CA C 57.266 0.070 1 602 128 128 ARG CB C 27.386 0.008 1 603 128 128 ARG N N 118.543 0.000 1 604 129 129 SER H H 7.808 0.000 1 605 129 129 SER C C 174.687 0.000 1 606 129 129 SER CA C 60.903 0.033 1 607 129 129 SER CB C 62.232 0.158 1 608 129 129 SER N N 119.675 0.000 1 609 130 130 LEU H H 6.994 0.000 1 610 130 130 LEU C C 177.116 0.000 1 611 130 130 LEU CA C 53.709 0.030 1 612 130 130 LEU CB C 40.796 0.076 1 613 130 130 LEU N N 122.535 0.000 1 614 131 131 GLY H H 7.674 0.000 1 615 131 131 GLY C C 173.013 0.000 1 616 131 131 GLY CA C 44.554 0.013 1 617 131 131 GLY N N 107.358 0.000 1 618 132 132 ASP H H 7.396 0.000 1 619 132 132 ASP C C 176.787 0.000 1 620 132 132 ASP CA C 52.238 0.009 1 621 132 132 ASP CB C 39.490 0.007 1 622 132 132 ASP N N 120.508 0.000 1 623 133 133 THR H H 8.055 0.000 1 624 133 133 THR C C 174.112 0.000 1 625 133 133 THR CA C 61.221 0.035 1 626 133 133 THR CB C 68.072 0.042 1 627 133 133 THR N N 115.538 0.000 1 628 134 134 VAL H H 8.646 0.000 1 629 134 134 VAL C C 177.834 0.000 1 630 134 134 VAL CA C 62.955 0.007 1 631 134 134 VAL CB C 33.802 0.000 1 632 134 134 VAL N N 123.105 0.000 1 633 135 135 SER H H 9.589 0.000 1 634 135 135 SER C C 173.723 0.000 1 635 135 135 SER CA C 63.383 0.074 1 636 135 135 SER CB C 59.388 0.040 1 637 135 135 SER N N 123.160 0.000 1 638 136 136 ARG H H 8.964 0.000 1 639 136 136 ARG C C 171.466 0.000 1 640 136 136 ARG CA C 55.557 0.032 1 641 136 136 ARG CB C 31.498 0.014 1 642 136 136 ARG N N 117.279 0.000 1 643 137 137 LEU H H 7.428 0.000 1 644 137 137 LEU C C 174.649 0.000 1 645 137 137 LEU CA C 53.681 0.036 1 646 137 137 LEU CB C 45.818 0.033 1 647 137 137 LEU N N 121.774 0.000 1 648 138 138 ASP H H 9.320 0.000 1 649 138 138 ASP C C 174.046 0.000 1 650 138 138 ASP CA C 54.800 0.041 1 651 138 138 ASP CB C 44.650 0.080 1 652 138 138 ASP N N 125.975 0.000 1 653 139 139 ALA H H 8.457 0.000 1 654 139 139 ALA C C 172.622 0.000 1 655 139 139 ALA CA C 50.003 0.052 1 656 139 139 ALA CB C 21.211 0.009 1 657 139 139 ALA N N 127.042 0.000 1 658 140 140 GLU H H 7.470 0.000 1 659 140 140 GLU C C 177.131 0.025 1 660 140 140 GLU CA C 53.430 0.013 1 661 140 140 GLU CB C 28.853 0.080 1 662 140 140 GLU N N 112.728 0.000 1 663 141 141 GLU H H 9.040 0.000 1 664 141 141 GLU C C 177.820 0.000 1 665 141 141 GLU CA C 55.640 0.000 1 666 141 141 GLU CB C 27.984 0.000 1 667 141 141 GLU N N 119.439 0.000 1 668 142 142 PRO C C 177.453 0.000 1 669 142 142 PRO CA C 63.461 0.014 1 670 142 142 PRO CB C 34.032 0.007 1 671 143 143 GLU H H 8.437 0.000 1 672 143 143 GLU C C 178.851 0.000 1 673 143 143 GLU CA C 61.441 0.025 1 674 143 143 GLU CB C 27.536 0.017 1 675 143 143 GLU N N 127.889 0.000 1 676 144 144 LEU H H 7.984 0.000 1 677 144 144 LEU C C 177.461 0.000 1 678 144 144 LEU CA C 57.205 0.009 1 679 144 144 LEU CB C 38.311 0.004 1 680 144 144 LEU N N 116.567 0.000 1 681 145 145 ASN H H 7.665 0.000 1 682 145 145 ASN C C 176.572 0.000 1 683 145 145 ASN CA C 54.577 0.130 1 684 145 145 ASN CB C 40.806 0.049 1 685 145 145 ASN N N 119.396 0.000 1 686 146 146 ARG H H 7.610 0.000 1 687 146 146 ARG C C 176.276 0.055 1 688 146 146 ARG CA C 55.686 0.218 1 689 146 146 ARG CB C 30.667 0.043 1 690 146 146 ARG N N 116.279 0.000 1 691 147 147 ASP H H 9.263 0.000 1 692 147 147 ASP C C 173.853 0.000 1 693 147 147 ASP CA C 53.652 0.000 1 694 147 147 ASP CB C 36.619 0.000 1 695 147 147 ASP N N 123.128 0.000 1 696 149 149 PRO C C 176.939 0.000 1 697 149 149 PRO CA C 63.050 0.027 1 698 149 149 PRO CB C 30.334 0.024 1 699 150 150 GLY H H 8.451 0.000 1 700 150 150 GLY C C 173.291 0.000 1 701 150 150 GLY CA C 44.692 0.031 1 702 150 150 GLY N N 113.315 0.000 1 703 151 151 ASP H H 7.067 0.000 1 704 151 151 ASP C C 177.308 0.000 1 705 151 151 ASP CA C 53.164 0.008 1 706 151 151 ASP CB C 42.484 0.028 1 707 151 151 ASP N N 122.423 0.000 1 708 152 152 GLU H H 8.701 0.000 1 709 152 152 GLU C C 177.617 0.000 1 710 152 152 GLU CA C 56.992 0.093 1 711 152 152 GLU CB C 29.137 0.161 1 712 152 152 GLU N N 125.956 0.000 1 713 153 153 ARG H H 8.592 0.000 1 714 153 153 ARG C C 175.539 0.000 1 715 153 153 ARG CA C 57.331 0.030 1 716 153 153 ARG CB C 29.729 0.025 1 717 153 153 ARG N N 122.715 0.000 1 718 154 154 ASP H H 8.577 0.000 1 719 154 154 ASP C C 177.350 0.000 1 720 154 154 ASP CA C 55.810 0.033 1 721 154 154 ASP CB C 38.972 0.026 1 722 154 154 ASP N N 111.411 0.000 1 723 155 155 THR H H 7.372 0.000 1 724 155 155 THR C C 172.308 0.006 1 725 155 155 THR CA C 59.951 0.042 1 726 155 155 THR CB C 74.379 0.018 1 727 155 155 THR N N 106.406 0.000 1 728 156 156 THR H H 8.215 0.000 1 729 156 156 THR C C 172.816 0.024 1 730 156 156 THR CA C 57.690 0.020 1 731 156 156 THR CB C 68.813 0.021 1 732 156 156 THR N N 114.475 0.000 1 733 157 157 THR H H 8.542 0.000 1 734 157 157 THR C C 172.626 0.000 1 735 157 157 THR CA C 57.278 0.000 1 736 157 157 THR CB C 69.558 0.000 1 737 157 157 THR N N 111.891 0.000 1 738 158 158 PRO C C 176.358 0.000 1 739 158 158 PRO CA C 65.425 0.005 1 740 158 158 PRO CB C 30.941 0.006 1 741 159 159 HIS H H 8.285 0.000 1 742 159 159 HIS C C 175.669 0.000 1 743 159 159 HIS CA C 55.185 0.044 1 744 159 159 HIS CB C 29.284 0.054 1 745 159 159 HIS N N 112.517 0.000 1 746 160 160 ALA H H 8.125 0.000 1 747 160 160 ALA C C 181.461 0.000 1 748 160 160 ALA CA C 54.638 0.134 1 749 160 160 ALA CB C 17.594 0.031 1 750 160 160 ALA N N 121.058 0.000 1 751 161 161 ILE H H 8.305 0.000 1 752 161 161 ILE C C 177.245 0.000 1 753 161 161 ILE CA C 61.312 0.026 1 754 161 161 ILE CB C 35.720 0.049 1 755 161 161 ILE N N 117.187 0.000 1 756 162 162 ALA H H 7.776 0.000 1 757 162 162 ALA C C 179.600 0.000 1 758 162 162 ALA CA C 54.702 0.013 1 759 162 162 ALA CB C 18.893 0.016 1 760 162 162 ALA N N 124.943 0.000 1 761 163 163 LEU H H 7.394 0.000 1 762 163 163 LEU C C 181.404 0.000 1 763 163 163 LEU CA C 57.321 0.047 1 764 163 163 LEU CB C 39.510 0.003 1 765 163 163 LEU N N 116.584 0.000 1 766 164 164 VAL H H 7.723 0.000 1 767 164 164 VAL C C 177.224 0.000 1 768 164 164 VAL CA C 66.891 0.052 1 769 164 164 VAL CB C 31.253 0.040 1 770 164 164 VAL N N 121.937 0.000 1 771 165 165 LEU H H 8.526 0.000 1 772 165 165 LEU C C 178.217 0.000 1 773 165 165 LEU CA C 57.430 0.042 1 774 165 165 LEU CB C 40.437 0.037 1 775 165 165 LEU N N 120.495 0.000 1 776 166 166 GLN H H 8.660 0.000 1 777 166 166 GLN C C 177.885 0.000 1 778 166 166 GLN CA C 59.884 0.033 1 779 166 166 GLN CB C 28.911 0.040 1 780 166 166 GLN N N 117.474 0.000 1 781 167 167 GLN H H 7.504 0.000 1 782 167 167 GLN C C 177.327 0.000 1 783 167 167 GLN CA C 59.100 0.026 1 784 167 167 GLN CB C 29.510 0.085 1 785 167 167 GLN N N 117.859 0.000 1 786 168 168 LEU H H 7.698 0.000 1 787 168 168 LEU C C 177.873 0.000 1 788 168 168 LEU CA C 57.362 0.034 1 789 168 168 LEU CB C 42.015 0.019 1 790 168 168 LEU N N 114.445 0.000 1 791 169 169 VAL H H 7.945 0.000 1 792 169 169 VAL C C 175.409 0.000 1 793 169 169 VAL CA C 64.087 0.022 1 794 169 169 VAL CB C 32.810 0.017 1 795 169 169 VAL N N 114.340 0.000 1 796 170 170 LEU H H 7.623 0.000 1 797 170 170 LEU C C 177.971 0.000 1 798 170 170 LEU CA C 53.832 0.042 1 799 170 170 LEU CB C 41.499 0.062 1 800 170 170 LEU N N 116.666 0.000 1 801 171 171 GLY H H 7.273 0.000 1 802 171 171 GLY C C 174.879 0.000 1 803 171 171 GLY CA C 44.065 0.014 1 804 171 171 GLY N N 109.559 0.000 1 805 172 172 ASN H H 8.578 0.000 1 806 172 172 ASN C C 175.453 0.000 1 807 172 172 ASN CA C 51.955 0.028 1 808 172 172 ASN CB C 38.335 0.014 1 809 172 172 ASN N N 118.520 0.000 1 810 173 173 ALA H H 7.140 0.000 1 811 173 173 ALA C C 178.249 0.006 1 812 173 173 ALA CA C 54.872 0.013 1 813 173 173 ALA CB C 18.816 0.026 1 814 173 173 ALA N N 122.457 0.000 1 815 174 174 LEU H H 9.238 0.000 1 816 174 174 LEU C C 173.504 0.000 1 817 174 174 LEU CA C 50.331 0.000 1 818 174 174 LEU CB C 43.692 0.000 1 819 174 174 LEU N N 118.359 0.000 1 820 176 176 PRO C C 178.260 0.000 1 821 176 176 PRO CA C 65.806 0.042 1 822 176 176 PRO CB C 31.470 0.001 1 823 177 177 ASP H H 8.640 0.000 1 824 177 177 ASP C C 178.573 0.000 1 825 177 177 ASP CA C 55.827 0.017 1 826 177 177 ASP CB C 37.554 0.012 1 827 177 177 ASP N N 116.714 0.000 1 828 178 178 LYS H H 7.764 0.000 1 829 178 178 LYS C C 177.143 0.000 1 830 178 178 LYS CA C 58.910 0.008 1 831 178 178 LYS CB C 33.437 0.008 1 832 178 178 LYS N N 122.552 0.000 1 833 179 179 ARG H H 8.687 0.000 1 834 179 179 ARG C C 178.929 0.000 1 835 179 179 ARG CA C 58.986 0.034 1 836 179 179 ARG CB C 30.662 0.030 1 837 179 179 ARG N N 120.900 0.000 1 838 180 180 ALA H H 7.809 0.000 1 839 180 180 ALA C C 179.948 0.000 1 840 180 180 ALA CA C 54.226 0.032 1 841 180 180 ALA CB C 17.177 0.009 1 842 180 180 ALA N N 120.893 0.000 1 843 181 181 LEU H H 6.750 0.000 1 844 181 181 LEU C C 177.590 0.000 1 845 181 181 LEU CA C 56.528 0.012 1 846 181 181 LEU CB C 39.781 0.018 1 847 181 181 LEU N N 118.679 0.000 1 848 182 182 LEU H H 6.797 0.000 1 849 182 182 LEU C C 178.069 0.000 1 850 182 182 LEU CA C 58.021 0.050 1 851 182 182 LEU CB C 41.168 0.042 1 852 182 182 LEU N N 117.255 0.000 1 853 183 183 THR H H 8.067 0.000 1 854 183 183 THR C C 175.462 0.000 1 855 183 183 THR CA C 66.502 0.039 1 856 183 183 THR CB C 68.076 0.014 1 857 183 183 THR N N 111.765 0.000 1 858 184 184 ASP H H 7.546 0.000 1 859 184 184 ASP C C 177.882 0.000 1 860 184 184 ASP CA C 57.119 0.037 1 861 184 184 ASP CB C 40.966 0.024 1 862 184 184 ASP N N 121.631 0.000 1 863 185 185 TRP H H 7.925 0.000 1 864 185 185 TRP C C 178.461 0.000 1 865 185 185 TRP CA C 61.331 0.030 1 866 185 185 TRP CB C 27.717 0.082 1 867 185 185 TRP N N 117.735 0.000 1 868 186 186 MET H H 7.913 0.000 1 869 186 186 MET C C 179.353 0.000 1 870 186 186 MET CA C 59.477 0.023 1 871 186 186 MET CB C 33.191 0.022 1 872 186 186 MET N N 114.186 0.000 1 873 187 187 ALA H H 8.913 0.000 1 874 187 187 ALA C C 179.546 0.000 1 875 187 187 ALA CA C 54.623 0.036 1 876 187 187 ALA CB C 17.939 0.023 1 877 187 187 ALA N N 124.380 0.000 1 878 188 188 ARG H H 7.472 0.000 1 879 188 188 ARG C C 176.191 0.000 1 880 188 188 ARG CA C 54.945 0.172 1 881 188 188 ARG CB C 28.775 0.015 1 882 188 188 ARG N N 115.534 0.000 1 883 189 189 ASN H H 7.296 0.000 1 884 189 189 ASN C C 176.463 0.000 1 885 189 189 ASN CA C 54.689 0.000 1 886 189 189 ASN CB C 39.293 0.067 1 887 189 189 ASN N N 119.945 0.000 1 888 190 190 THR H H 8.649 0.000 1 889 190 190 THR C C 177.188 0.000 1 890 190 190 THR CA C 62.339 0.034 1 891 190 190 THR CB C 69.768 0.016 1 892 190 190 THR N N 116.649 0.000 1 893 191 191 THR H H 7.638 0.000 1 894 191 191 THR C C 176.489 0.000 1 895 191 191 THR CA C 62.945 0.018 1 896 191 191 THR CB C 69.421 0.178 1 897 191 191 THR N N 111.313 0.000 1 898 192 192 GLY H H 8.602 0.000 1 899 192 192 GLY C C 176.350 0.000 1 900 192 192 GLY CA C 45.684 0.006 1 901 192 192 GLY N N 112.545 0.000 1 902 193 193 ALA H H 8.131 0.000 1 903 193 193 ALA C C 177.865 0.000 1 904 193 193 ALA CA C 55.333 0.047 1 905 193 193 ALA CB C 18.309 0.042 1 906 193 193 ALA N N 123.556 0.000 1 907 194 194 LYS H H 8.217 0.000 1 908 194 194 LYS C C 175.752 0.000 1 909 194 194 LYS CA C 54.792 0.035 1 910 194 194 LYS CB C 30.831 0.010 1 911 194 194 LYS N N 111.760 0.000 1 912 195 195 ARG H H 6.866 0.000 1 913 195 195 ARG C C 174.817 0.000 1 914 195 195 ARG CA C 53.660 0.004 1 915 195 195 ARG CB C 28.699 0.003 1 916 195 195 ARG N N 117.170 0.000 1 917 196 196 ILE H H 8.548 0.000 1 918 196 196 ILE C C 178.238 0.000 1 919 196 196 ILE CA C 66.406 0.031 1 920 196 196 ILE CB C 35.691 0.097 1 921 196 196 ILE N N 125.927 0.000 1 922 197 197 ARG H H 9.661 0.000 1 923 197 197 ARG C C 177.804 0.000 1 924 197 197 ARG CA C 58.076 0.036 1 925 197 197 ARG CB C 31.788 0.024 1 926 197 197 ARG N N 119.293 0.000 1 927 198 198 ALA H H 6.799 0.000 1 928 198 198 ALA C C 178.627 0.000 1 929 198 198 ALA CA C 52.874 0.050 1 930 198 198 ALA CB C 17.033 0.032 1 931 198 198 ALA N N 119.288 0.000 1 932 199 199 GLY H H 7.932 0.000 1 933 199 199 GLY C C 172.391 0.012 1 934 199 199 GLY CA C 44.544 0.016 1 935 199 199 GLY N N 104.725 0.000 1 936 200 200 PHE H H 6.904 0.000 1 937 200 200 PHE C C 173.519 0.000 1 938 200 200 PHE CA C 54.850 0.000 1 939 200 200 PHE CB C 40.433 0.000 1 940 200 200 PHE N N 118.433 0.000 1 941 201 201 PRO C C 177.618 0.000 1 942 201 201 PRO CA C 61.775 0.000 1 943 201 201 PRO CB C 31.539 0.001 1 944 202 202 ALA H H 8.499 0.000 1 945 202 202 ALA C C 177.362 0.054 1 946 202 202 ALA CA C 54.523 0.054 1 947 202 202 ALA CB C 18.296 0.009 1 948 202 202 ALA N N 121.824 0.000 1 949 203 203 ASP H H 8.728 0.000 1 950 203 203 ASP C C 176.159 0.008 1 951 203 203 ASP CA C 53.360 0.009 1 952 203 203 ASP CB C 37.520 0.029 1 953 203 203 ASP N N 112.761 0.000 1 954 204 204 TRP H H 8.456 0.000 1 955 204 204 TRP C C 175.806 0.000 1 956 204 204 TRP CA C 57.302 0.009 1 957 204 204 TRP CB C 27.284 0.113 1 958 204 204 TRP N N 123.087 0.000 1 959 205 205 LYS H H 8.467 0.000 1 960 205 205 LYS C C 175.786 0.000 1 961 205 205 LYS CA C 55.499 0.011 1 962 205 205 LYS CB C 33.498 0.021 1 963 205 205 LYS N N 125.693 0.000 1 964 206 206 VAL H H 8.132 0.000 1 965 206 206 VAL C C 175.305 0.000 1 966 206 206 VAL CA C 61.416 0.040 1 967 206 206 VAL CB C 35.060 0.016 1 968 206 206 VAL N N 123.388 0.000 1 969 207 207 ILE H H 8.949 0.000 1 970 207 207 ILE C C 174.327 0.000 1 971 207 207 ILE CA C 58.911 0.014 1 972 207 207 ILE CB C 37.533 0.007 1 973 207 207 ILE N N 123.398 0.000 1 974 208 208 ASP H H 7.831 0.000 1 975 208 208 ASP C C 171.232 0.004 1 976 208 208 ASP CA C 53.689 0.029 1 977 208 208 ASP CB C 42.954 0.021 1 978 208 208 ASP N N 120.938 0.000 1 979 209 209 LYS H H 8.485 0.000 1 980 209 209 LYS C C 174.510 0.000 1 981 209 209 LYS CA C 54.234 0.000 1 982 209 209 LYS CB C 33.998 0.000 1 983 209 209 LYS N N 114.230 0.000 1 984 210 210 THR C C 176.546 0.036 1 985 210 210 THR CA C 60.896 0.017 1 986 210 210 THR CB C 70.775 0.036 1 987 211 211 GLY H H 7.671 0.000 1 988 211 211 GLY C C 171.499 0.000 1 989 211 211 GLY CA C 47.535 0.023 1 990 211 211 GLY N N 102.752 0.000 1 991 212 212 THR C C 172.294 0.000 1 992 212 212 THR CA C 62.428 0.016 1 993 212 212 THR CB C 71.324 0.020 1 994 213 213 GLY H H 8.821 0.000 1 995 213 213 GLY C C 172.281 0.000 1 996 213 213 GLY CA C 45.703 0.004 1 997 213 213 GLY N N 115.007 0.000 1 998 214 214 ASP H H 7.054 0.000 1 999 214 214 ASP C C 174.602 0.000 1 1000 214 214 ASP CA C 54.831 0.009 1 1001 214 214 ASP CB C 41.044 0.022 1 1002 214 214 ASP N N 119.235 0.000 1 1003 215 215 TYR H H 8.465 0.000 1 1004 215 215 TYR C C 176.472 0.000 1 1005 215 215 TYR CA C 58.276 0.027 1 1006 215 215 TYR CB C 33.754 0.030 1 1007 215 215 TYR N N 108.790 0.000 1 1008 216 216 GLY H H 7.968 0.000 1 1009 216 216 GLY C C 173.396 0.000 1 1010 216 216 GLY CA C 46.353 0.030 1 1011 216 216 GLY N N 104.122 0.000 1 1012 217 217 ARG H H 7.048 0.000 1 1013 217 217 ARG C C 176.277 0.000 1 1014 217 217 ARG CA C 56.614 0.010 1 1015 217 217 ARG CB C 30.571 0.158 1 1016 217 217 ARG N N 120.784 0.000 1 1017 218 218 ALA H H 7.845 0.000 1 1018 218 218 ALA C C 174.526 0.000 1 1019 218 218 ALA CA C 51.575 0.044 1 1020 218 218 ALA CB C 19.071 0.016 1 1021 218 218 ALA N N 122.267 0.000 1 1022 219 219 ASN H H 9.313 0.000 1 1023 219 219 ASN C C 176.879 0.000 1 1024 219 219 ASN CA C 50.102 0.041 1 1025 219 219 ASN CB C 44.511 0.020 1 1026 219 219 ASN N N 118.937 0.000 1 1027 220 220 ASP H H 9.782 0.000 1 1028 220 220 ASP C C 172.056 0.000 1 1029 220 220 ASP CA C 55.261 0.035 1 1030 220 220 ASP CB C 42.652 0.033 1 1031 220 220 ASP N N 124.182 0.000 1 1032 221 221 ILE H H 8.048 0.000 1 1033 221 221 ILE C C 173.314 0.000 1 1034 221 221 ILE CA C 58.441 0.189 1 1035 221 221 ILE CB C 39.158 0.009 1 1036 221 221 ILE N N 120.057 0.000 1 1037 222 222 ALA H H 9.152 0.000 1 1038 222 222 ALA C C 175.973 0.000 1 1039 222 222 ALA CA C 50.189 0.016 1 1040 222 222 ALA CB C 25.017 0.011 1 1041 222 222 ALA N N 125.411 0.000 1 1042 223 223 VAL H H 8.044 0.000 1 1043 223 223 VAL C C 173.749 0.000 1 1044 223 223 VAL CA C 61.624 0.174 1 1045 223 223 VAL CB C 31.633 0.011 1 1046 223 223 VAL N N 118.960 0.000 1 1047 224 224 VAL H H 8.832 0.000 1 1048 224 224 VAL C C 174.106 0.000 1 1049 224 224 VAL CA C 57.135 0.048 1 1050 224 224 VAL CB C 33.047 0.047 1 1051 224 224 VAL N N 121.301 0.000 1 1052 225 225 TRP H H 9.320 0.000 1 1053 225 225 TRP C C 176.037 0.032 1 1054 225 225 TRP CA C 57.032 0.070 1 1055 225 225 TRP CB C 33.604 0.167 1 1056 225 225 TRP N N 121.909 0.000 1 1057 226 226 SER H H 8.838 0.000 1 1058 226 226 SER C C 174.200 0.000 1 1059 226 226 SER CA C 55.332 0.000 1 1060 226 226 SER CB C 62.157 0.000 1 1061 226 226 SER N N 119.521 0.000 1 1062 227 227 PRO C C 177.629 0.000 1 1063 227 227 PRO CA C 64.237 0.040 1 1064 227 227 PRO CB C 31.075 0.039 1 1065 228 228 THR H H 7.066 0.000 1 1066 228 228 THR C C 175.178 0.000 1 1067 228 228 THR CA C 60.328 0.068 1 1068 228 228 THR CB C 67.814 0.020 1 1069 228 228 THR N N 104.370 0.000 1 1070 229 229 GLY H H 8.176 0.000 1 1071 229 229 GLY C C 173.919 0.005 1 1072 229 229 GLY CA C 45.254 0.010 1 1073 229 229 GLY N N 111.370 0.000 1 1074 230 230 VAL H H 7.597 0.000 1 1075 230 230 VAL C C 174.329 0.000 1 1076 230 230 VAL CA C 60.076 0.000 1 1077 230 230 VAL CB C 31.705 0.000 1 1078 230 230 VAL N N 124.844 0.000 1 1079 231 231 PRO C C 176.218 0.000 1 1080 231 231 PRO CA C 60.310 0.058 1 1081 231 231 PRO CB C 31.063 0.010 1 1082 232 232 TYR H H 8.794 0.000 1 1083 232 232 TYR C C 174.023 0.010 1 1084 232 232 TYR CA C 55.780 0.020 1 1085 232 232 TYR CB C 41.053 0.014 1 1086 232 232 TYR N N 116.300 0.000 1 1087 233 233 VAL H H 8.451 0.000 1 1088 233 233 VAL C C 173.154 0.018 1 1089 233 233 VAL CA C 61.026 0.030 1 1090 233 233 VAL CB C 32.029 0.010 1 1091 233 233 VAL N N 122.928 0.000 1 1092 234 234 VAL H H 8.659 0.000 1 1093 234 234 VAL C C 173.667 0.000 1 1094 234 234 VAL CA C 60.137 0.019 1 1095 234 234 VAL CB C 34.626 0.009 1 1096 234 234 VAL N N 122.190 0.000 1 1097 235 235 ALA H H 8.709 0.000 1 1098 235 235 ALA C C 175.329 0.000 1 1099 235 235 ALA CA C 50.299 0.014 1 1100 235 235 ALA CB C 21.212 0.032 1 1101 235 235 ALA N N 128.944 0.000 1 1102 236 236 VAL H H 8.416 0.000 1 1103 236 236 VAL C C 173.530 0.000 1 1104 236 236 VAL CA C 59.978 0.029 1 1105 236 236 VAL CB C 33.149 0.012 1 1106 236 236 VAL N N 119.042 0.000 1 1107 237 237 MET H H 9.276 0.000 1 1108 237 237 MET C C 173.152 0.000 1 1109 237 237 MET CA C 53.292 0.013 1 1110 237 237 MET CB C 34.810 0.003 1 1111 237 237 MET N N 125.761 0.000 1 1112 238 238 SER H H 7.754 0.000 1 1113 238 238 SER C C 174.449 0.000 1 1114 238 238 SER CA C 57.666 0.020 1 1115 238 238 SER CB C 69.595 0.056 1 1116 238 238 SER N N 113.837 0.000 1 1117 239 239 ASP H H 9.305 0.000 1 1118 239 239 ASP C C 173.489 0.000 1 1119 239 239 ASP CA C 53.092 0.040 1 1120 239 239 ASP CB C 42.378 0.034 1 1121 239 239 ASP N N 118.920 0.000 1 1122 240 240 ARG H H 8.305 0.000 1 1123 240 240 ARG C C 176.385 0.000 1 1124 240 240 ARG CA C 54.169 0.055 1 1125 240 240 ARG CB C 29.010 0.035 1 1126 240 240 ARG N N 118.778 0.000 1 1127 241 241 ALA H H 8.740 0.000 1 1128 241 241 ALA C C 180.282 0.000 1 1129 241 241 ALA CA C 54.850 0.020 1 1130 241 241 ALA CB C 17.990 0.013 1 1131 241 241 ALA N N 122.382 0.000 1 1132 242 242 GLY H H 8.409 0.000 1 1133 242 242 GLY C C 175.378 0.000 1 1134 242 242 GLY CA C 45.685 0.024 1 1135 242 242 GLY N N 106.436 0.000 1 1136 243 243 GLY H H 7.974 0.000 1 1137 243 243 GLY C C 174.567 0.000 1 1138 243 243 GLY CA C 44.729 0.024 1 1139 243 243 GLY N N 107.355 0.000 1 1140 244 244 GLY H H 7.703 0.000 1 1141 244 244 GLY C C 174.265 0.000 1 1142 244 244 GLY CA C 43.855 0.026 1 1143 244 244 GLY N N 107.785 0.000 1 1144 245 245 TYR H H 8.435 0.000 1 1145 245 245 TYR C C 176.610 0.000 1 1146 245 245 TYR CA C 60.139 0.113 1 1147 245 245 TYR CB C 37.376 0.045 1 1148 245 245 TYR N N 120.050 0.000 1 1149 246 246 ASP H H 7.900 0.000 1 1150 246 246 ASP C C 175.617 0.000 1 1151 246 246 ASP CA C 52.218 0.074 1 1152 246 246 ASP CB C 38.688 0.036 1 1153 246 246 ASP N N 117.397 0.000 1 1154 247 247 ALA H H 7.080 0.000 1 1155 247 247 ALA C C 177.711 0.068 1 1156 247 247 ALA CA C 52.502 0.000 1 1157 247 247 ALA CB C 17.958 0.015 1 1158 247 247 ALA N N 123.470 0.000 1 1159 248 248 GLU H H 8.464 0.000 1 1160 248 248 GLU C C 175.156 0.000 1 1161 248 248 GLU CA C 54.165 0.000 1 1162 248 248 GLU CB C 29.445 0.000 1 1163 248 248 GLU N N 124.588 0.000 1 1164 249 249 PRO C C 176.999 0.000 1 1165 249 249 PRO CA C 61.640 0.013 1 1166 249 249 PRO CB C 31.313 0.007 1 1167 250 250 ARG H H 8.816 0.000 1 1168 250 250 ARG C C 175.853 0.052 1 1169 250 250 ARG CA C 52.432 0.022 1 1170 250 250 ARG CB C 28.970 0.068 1 1171 250 250 ARG N N 122.610 0.000 1 1172 251 251 GLU H H 8.495 0.000 1 1173 251 251 GLU C C 177.543 0.000 1 1174 251 251 GLU CA C 60.673 0.013 1 1175 251 251 GLU CB C 28.338 0.063 1 1176 251 251 GLU N N 123.131 0.000 1 1177 252 252 ALA H H 8.601 0.000 1 1178 252 252 ALA C C 178.750 0.000 1 1179 252 252 ALA CA C 54.013 0.033 1 1180 252 252 ALA CB C 17.430 0.022 1 1181 252 252 ALA N N 119.184 0.000 1 1182 253 253 LEU H H 6.305 0.000 1 1183 253 253 LEU C C 177.383 0.000 1 1184 253 253 LEU CA C 57.316 0.015 1 1185 253 253 LEU CB C 39.530 0.012 1 1186 253 253 LEU N N 117.276 0.000 1 1187 254 254 LEU H H 6.748 0.000 1 1188 254 254 LEU C C 178.275 0.000 1 1189 254 254 LEU CA C 58.038 0.039 1 1190 254 254 LEU CB C 39.828 0.106 1 1191 254 254 LEU N N 116.795 0.000 1 1192 255 255 ALA H H 7.247 0.000 1 1193 255 255 ALA C C 180.953 0.000 1 1194 255 255 ALA CA C 54.993 0.053 1 1195 255 255 ALA CB C 17.869 0.014 1 1196 255 255 ALA N N 121.229 0.000 1 1197 256 256 GLU H H 8.449 0.000 1 1198 256 256 GLU C C 180.082 0.000 1 1199 256 256 GLU CA C 60.484 0.030 1 1200 256 256 GLU CB C 29.055 0.064 1 1201 256 256 GLU N N 118.756 0.000 1 1202 257 257 ALA H H 8.483 0.000 1 1203 257 257 ALA C C 179.526 0.000 1 1204 257 257 ALA CA C 55.289 0.028 1 1205 257 257 ALA CB C 17.339 0.015 1 1206 257 257 ALA N N 124.204 0.000 1 1207 258 258 ALA H H 8.274 0.000 1 1208 258 258 ALA C C 177.422 0.000 1 1209 258 258 ALA CA C 54.777 0.023 1 1210 258 258 ALA CB C 18.776 0.017 1 1211 258 258 ALA N N 119.118 0.000 1 1212 259 259 THR H H 8.087 0.000 1 1213 259 259 THR C C 177.289 0.000 1 1214 259 259 THR CA C 65.932 0.048 1 1215 259 259 THR CB C 68.125 0.016 1 1216 259 259 THR N N 116.766 0.000 1 1217 260 260 CYS H H 7.433 0.000 1 1218 260 260 CYS C C 177.351 0.000 1 1219 260 260 CYS CA C 62.513 0.038 1 1220 260 260 CYS CB C 26.034 0.123 1 1221 260 260 CYS N N 120.960 0.000 1 1222 261 261 VAL H H 7.415 0.000 1 1223 261 261 VAL C C 176.769 0.000 1 1224 261 261 VAL CA C 66.306 0.039 1 1225 261 261 VAL CB C 30.866 0.029 1 1226 261 261 VAL N N 119.267 0.000 1 1227 262 262 ALA H H 8.503 0.000 1 1228 262 262 ALA C C 179.771 0.000 1 1229 262 262 ALA CA C 54.825 0.044 1 1230 262 262 ALA CB C 16.212 0.015 1 1231 262 262 ALA N N 122.391 0.000 1 1232 263 263 GLY H H 7.418 0.000 1 1233 263 263 GLY C C 175.997 0.000 1 1234 263 263 GLY CA C 46.140 0.005 1 1235 263 263 GLY N N 103.131 0.000 1 1236 264 264 VAL H H 7.042 0.000 1 1237 264 264 VAL C C 178.932 0.000 1 1238 264 264 VAL CA C 64.815 0.033 1 1239 264 264 VAL CB C 31.140 0.062 1 1240 264 264 VAL N N 120.626 0.000 1 1241 265 265 LEU H H 7.928 0.000 1 1242 265 265 LEU C C 178.975 0.000 1 1243 265 265 LEU CA C 56.576 0.005 1 1244 265 265 LEU CB C 40.048 0.034 1 1245 265 265 LEU N N 119.268 0.000 1 1246 266 266 ALA H H 7.918 0.000 1 1247 266 266 ALA C C 178.450 0.000 1 1248 266 266 ALA CA C 53.266 0.011 1 1249 266 266 ALA CB C 17.997 0.009 1 1250 266 266 ALA N N 119.202 0.000 1 1251 267 267 LEU H H 7.184 0.000 1 1252 267 267 LEU C C 177.916 0.000 1 1253 267 267 LEU CA C 55.678 0.050 1 1254 267 267 LEU CB C 40.938 0.019 1 1255 267 267 LEU N N 118.599 0.000 1 1256 268 268 GLU H H 7.840 0.000 1 1257 268 268 GLU C C 176.941 0.060 1 1258 268 268 GLU CA C 56.777 0.031 1 1259 268 268 GLU CB C 28.898 0.022 1 1260 268 268 GLU N N 119.872 0.000 1 1261 269 269 HIS H H 8.073 0.000 1 1262 269 269 HIS C C 175.263 0.000 1 1263 269 269 HIS CA C 56.185 0.000 1 1264 269 269 HIS CB C 29.641 0.000 1 1265 269 269 HIS N N 119.483 0.000 1 stop_ save_