data_18373 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; bLac - Oceanobacillus iheyensis ; _BMRB_accession_number 18373 _BMRB_flat_file_name bmr18373.str _Entry_type original _Submission_date 2012-04-02 _Accession_date 2012-04-02 _Entry_origination author _NMR_STAR_version 2.1.1 _Experimental_method NMR _Details 'Chemical shift assignment for halotolerant beta lactamase from Oceanobacillus iheyensis' loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Ortega Gabriel . . 2 Millet Oscar . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 229 "13C chemical shifts" 444 "15N chemical shifts" 229 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2012-05-01 original author . stop_ _Original_release_date 2012-05-01 save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title Exchange _Citation_status 'in preparation' _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID ? loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Ortega Gabriel . . stop_ _Journal_abbreviation 'J. Am. Chem. Soc.' _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 . _Details . save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name bLAC _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label bLAC $beta_Lac_Oih stop_ _System_molecular_weight 29000 _System_physical_state native _System_oligomer_state ? _System_paramagnetic no _System_thiol_state . _Database_query_date . _Details . save_ ######################## # Monomeric polymers # ######################## save_beta_Lac_Oih _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common beta_Lac_Oih _Molecular_mass 29000 _Mol_thiol_state 'not present' loop_ _Biological_function 'halotolerant beta lactamase' stop_ _Details 'beta Lactamase from halotolerant Oceanobacillus iheyemsis' ############################## # Polymer residue sequence # ############################## _Residue_count 261 _Mol_residue_sequence ; MGSEDLKKLEEEFDVRLGVY AIDTGADKEISYRENERFAY TSTFKPLAVGAVLQTKSDEE LEETITYSEEDLVTYSPITE QHVDEGMTLVEIADAAIRYS DNTAGNLLLEAMGGPDELET ILRDIGDETIEMDRYETELN EAKPGDIRDTSTAKAMATTL QQYVLEDVLDADRREVLTNM LINNTTGDALIRAGVPDGWT VGDKTGAGGYGTRNDIGIIW PEGDEEPIVIAIMSSRDEED ADYDDKLIEKATEIVLQELR N ; loop_ _Residue_seq_code _Residue_label 1 MET 2 GLY 3 SER 4 GLU 5 ASP 6 LEU 7 LYS 8 LYS 9 LEU 10 GLU 11 GLU 12 GLU 13 PHE 14 ASP 15 VAL 16 ARG 17 LEU 18 GLY 19 VAL 20 TYR 21 ALA 22 ILE 23 ASP 24 THR 25 GLY 26 ALA 27 ASP 28 LYS 29 GLU 30 ILE 31 SER 32 TYR 33 ARG 34 GLU 35 ASN 36 GLU 37 ARG 38 PHE 39 ALA 40 TYR 41 THR 42 SER 43 THR 44 PHE 45 LYS 46 PRO 47 LEU 48 ALA 49 VAL 50 GLY 51 ALA 52 VAL 53 LEU 54 GLN 55 THR 56 LYS 57 SER 58 ASP 59 GLU 60 GLU 61 LEU 62 GLU 63 GLU 64 THR 65 ILE 66 THR 67 TYR 68 SER 69 GLU 70 GLU 71 ASP 72 LEU 73 VAL 74 THR 75 TYR 76 SER 77 PRO 78 ILE 79 THR 80 GLU 81 GLN 82 HIS 83 VAL 84 ASP 85 GLU 86 GLY 87 MET 88 THR 89 LEU 90 VAL 91 GLU 92 ILE 93 ALA 94 ASP 95 ALA 96 ALA 97 ILE 98 ARG 99 TYR 100 SER 101 ASP 102 ASN 103 THR 104 ALA 105 GLY 106 ASN 107 LEU 108 LEU 109 LEU 110 GLU 111 ALA 112 MET 113 GLY 114 GLY 115 PRO 116 ASP 117 GLU 118 LEU 119 GLU 120 THR 121 ILE 122 LEU 123 ARG 124 ASP 125 ILE 126 GLY 127 ASP 128 GLU 129 THR 130 ILE 131 GLU 132 MET 133 ASP 134 ARG 135 TYR 136 GLU 137 THR 138 GLU 139 LEU 140 ASN 141 GLU 142 ALA 143 LYS 144 PRO 145 GLY 146 ASP 147 ILE 148 ARG 149 ASP 150 THR 151 SER 152 THR 153 ALA 154 LYS 155 ALA 156 MET 157 ALA 158 THR 159 THR 160 LEU 161 GLN 162 GLN 163 TYR 164 VAL 165 LEU 166 GLU 167 ASP 168 VAL 169 LEU 170 ASP 171 ALA 172 ASP 173 ARG 174 ARG 175 GLU 176 VAL 177 LEU 178 THR 179 ASN 180 MET 181 LEU 182 ILE 183 ASN 184 ASN 185 THR 186 THR 187 GLY 188 ASP 189 ALA 190 LEU 191 ILE 192 ARG 193 ALA 194 GLY 195 VAL 196 PRO 197 ASP 198 GLY 199 TRP 200 THR 201 VAL 202 GLY 203 ASP 204 LYS 205 THR 206 GLY 207 ALA 208 GLY 209 GLY 210 TYR 211 GLY 212 THR 213 ARG 214 ASN 215 ASP 216 ILE 217 GLY 218 ILE 219 ILE 220 TRP 221 PRO 222 GLU 223 GLY 224 ASP 225 GLU 226 GLU 227 PRO 228 ILE 229 VAL 230 ILE 231 ALA 232 ILE 233 MET 234 SER 235 SER 236 ARG 237 ASP 238 GLU 239 GLU 240 ASP 241 ALA 242 ASP 243 TYR 244 ASP 245 ASP 246 LYS 247 LEU 248 ILE 249 GLU 250 LYS 251 ALA 252 THR 253 GLU 254 ILE 255 VAL 256 LEU 257 GLN 258 GLU 259 LEU 260 ARG 261 ASN stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2015-06-02 loop_ _Database_name _Database_accession_code _Database_entry_mol_name _Sequence_query_to_submitted_percentage _Sequence_subject_length _Sequence_identity _Sequence_positive _Sequence_homology_expectation_value PDB 3LEZ "Crystal Structure Of A Halotolerant Bacterial Beta-Lactamase" 99.62 260 100.00 100.00 0.00e+00 DBJ BAC14749 "beta-lactamase [Oceanobacillus iheyensis HTE831]" 99.62 304 100.00 100.00 0.00e+00 GB ACQ42223 "beta-lactamase OIH-1 [synthetic construct]" 99.62 310 100.00 100.00 0.00e+00 REF WP_041544309 "class A beta-lactamase [Oceanobacillus iheyensis]" 99.62 310 100.00 100.00 0.00e+00 stop_ save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species _Details $beta_Lac_Oih 'Oceanobacillus iheyensis' 182710 Bacteria . Oceanobacillus iheyensis 'Original plasmid provided by Marta Toth - University of Notro Dame, Indiana' 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 $beta_Lac_Oih 'recombinant technology' . Escherichia coli BL21 pET-16b stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Saveframe_category sample _Sample_type solution _Details ; Protein concentration 1mM 20mM phosphate 500mM NaCl pH = 7.5 ; loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $beta_Lac_Oih 0.9 mM '[U-100% 13C; U-100% 15N; U-80% 2H]' Phosphate 20 mM 'natural abundance' NaCl 500 mM 'natural abundance' H2O 90 % 'natural abundance' D2O 10 % 'natural abundance' stop_ save_ ############################ # Computer software used # ############################ save_TOPSPIN _Saveframe_category software _Name TOPSPIN _Version . loop_ _Vendor _Address _Electronic_address 'Bruker Biospin' . . stop_ loop_ _Task collection stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _Field_strength 800 _Details 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_HNCO_2 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCO' _Sample_label $sample_1 save_ save_3D_HNCA_3 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCA' _Sample_label $sample_1 save_ save_3D_HNCACB_4 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCACB' _Sample_label $sample_1 save_ save_3D_HN(COCA)CB_5 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HN(COCA)CB' _Sample_label $sample_1 save_ save_3D_HN(CO)CA_6 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HN(CO)CA' _Sample_label $sample_1 save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units 'ionic strength' 0.52 . M pH 7.5 . pH pressure 1 . atm temperature 298 . K stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference_1 _Saveframe_category chemical_shift_reference _Details . loop_ _Mol_common_name _Atom_type _Atom_isotope_number _Atom_group _Chem_shift_units _Chem_shift_value _Reference_method _Reference_type _External_reference_sample_geometry _External_reference_location _External_reference_axis _Indirect_shift_ratio DSS C 13 'methyl protons' ppm 0.00 na indirect . . . 0.251449530 DSS H 1 'methyl protons' ppm 0.00 internal direct . . . 1.000000000 DSS N 15 'methyl protons' ppm 0.00 na indirect . . . 0.101329118 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chem_shift_list_1 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Experiment_label '3D HNCO' '3D HNCA' '3D HNCACB' '3D HN(COCA)CB' '3D HN(CO)CA' stop_ loop_ _Sample_label $sample_1 stop_ _Sample_conditions_label $sample_conditions_1 _Chem_shift_reference_set_label $chemical_shift_reference_1 _Mol_system_component_name 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 4 4 GLU H H 9.149 . 1 2 4 4 GLU CA C 55.796 . 1 3 4 4 GLU CB C 25.329 . 1 4 4 4 GLU N N 123.788 . 1 5 5 5 ASP H H 7.930 . 1 6 5 5 ASP CA C 54.124 . 1 7 5 5 ASP CB C 37.586 . 1 8 5 5 ASP N N 118.401 . 1 9 6 6 LEU H H 7.474 . 1 10 6 6 LEU CA C 54.329 . 1 11 6 6 LEU CB C 36.382 . 1 12 6 6 LEU N N 120.298 . 1 13 7 7 LYS H H 7.323 . 1 14 7 7 LYS CA C 56.198 . 1 15 7 7 LYS CB C 28.772 . 1 16 7 7 LYS N N 120.499 . 1 17 8 8 LYS H H 7.570 . 1 18 8 8 LYS CA C 55.960 . 1 19 8 8 LYS CB C 28.429 . 1 20 8 8 LYS N N 117.448 . 1 21 9 9 LEU H H 7.396 . 1 22 9 9 LEU CA C 54.628 . 1 23 9 9 LEU CB C 37.952 . 1 24 9 9 LEU N N 119.815 . 1 25 10 10 GLU H H 7.801 . 1 26 10 10 GLU CA C 56.726 . 1 27 10 10 GLU CB C 26.304 . 1 28 10 10 GLU N N 117.927 . 1 29 11 11 GLU H H 7.488 . 1 30 11 11 GLU CA C 55.410 . 1 31 11 11 GLU CB C 26.254 . 1 32 11 11 GLU N N 117.121 . 1 33 12 12 GLU H H 8.376 . 1 34 12 12 GLU CA C 55.998 . 1 35 12 12 GLU CB C 26.209 . 1 36 12 12 GLU N N 120.963 . 1 37 13 13 PHE H H 8.037 . 1 38 13 13 PHE CA C 56.010 . 1 39 13 13 PHE CB C 36.623 . 1 40 13 13 PHE N N 113.233 . 1 41 14 14 ASP H H 7.804 . 1 42 14 14 ASP CA C 52.268 . 1 43 14 14 ASP CB C 35.810 . 1 44 14 14 ASP N N 121.689 . 1 45 15 15 VAL H H 7.828 . 1 46 15 15 VAL CA C 55.875 . 1 47 15 15 VAL CB C 32.582 . 1 48 15 15 VAL N N 110.549 . 1 49 16 16 ARG H H 8.696 . 1 50 16 16 ARG CA C 52.861 . 1 51 16 16 ARG CB C 29.256 . 1 52 16 16 ARG N N 120.979 . 1 53 17 17 LEU H H 9.825 . 1 54 17 17 LEU CA C 50.806 . 1 55 17 17 LEU CB C 44.293 . 1 56 17 17 LEU N N 129.420 . 1 57 18 18 GLY H H 8.838 . 1 58 18 18 GLY CA C 41.071 . 1 59 18 18 GLY N N 110.903 . 1 60 19 19 VAL H H 9.628 . 1 61 19 19 VAL CA C 57.012 . 1 62 19 19 VAL CB C 33.227 . 1 63 19 19 VAL N N 121.682 . 1 64 20 20 TYR H H 8.699 . 1 65 20 20 TYR CA C 55.582 . 1 66 20 20 TYR CB C 38.254 . 1 67 20 20 TYR N N 125.205 . 1 68 21 21 ALA H H 8.193 . 1 69 21 21 ALA CA C 46.683 . 1 70 21 21 ALA CB C 20.060 . 1 71 21 21 ALA N N 128.476 . 1 72 22 22 ILE H H 8.658 . 1 73 22 22 ILE CA C 54.706 . 1 74 22 22 ILE CB C 37.952 . 1 75 22 22 ILE N N 115.835 . 1 76 23 23 ASP H H 8.634 . 1 77 23 23 ASP CA C 49.833 . 1 78 23 23 ASP CB C 38.602 . 1 79 23 23 ASP N N 124.727 . 1 80 24 24 THR H H 8.010 . 1 81 24 24 THR CA C 61.041 . 1 82 24 24 THR CB C 61.261 . 1 83 24 24 THR N N 116.087 . 1 84 25 25 GLY H H 8.518 . 1 85 25 25 GLY CA C 43.073 . 1 86 25 25 GLY N N 109.499 . 1 87 26 26 ALA H H 7.040 . 1 88 26 26 ALA CA C 48.146 . 1 89 26 26 ALA CB C 17.299 . 1 90 26 26 ALA N N 121.531 . 1 91 27 27 ASP H H 8.021 . 1 92 27 27 ASP CA C 52.104 . 1 93 27 27 ASP CB C 35.779 . 1 94 27 27 ASP N N 117.948 . 1 95 28 28 LYS H H 6.834 . 1 96 28 28 LYS CA C 52.047 . 1 97 28 28 LYS CB C 32.397 . 1 98 28 28 LYS N N 117.007 . 1 99 29 29 GLU H H 8.385 . 1 100 29 29 GLU CA C 50.759 . 1 101 29 29 GLU CB C 30.161 . 1 102 29 29 GLU N N 122.722 . 1 103 30 30 ILE H H 8.626 . 1 104 30 30 ILE CA C 55.696 . 1 105 30 30 ILE CB C 35.439 . 1 106 30 30 ILE N N 121.891 . 1 107 31 31 SER H H 8.314 . 1 108 31 31 SER CA C 53.362 . 1 109 31 31 SER CB C 62.943 . 1 110 31 31 SER N N 118.212 . 1 111 32 32 TYR H H 9.165 . 1 112 32 32 TYR CA C 56.297 . 1 113 32 32 TYR CB C 38.976 . 1 114 32 32 TYR N N 124.029 . 1 115 33 33 ARG H H 8.834 . 1 116 33 33 ARG CA C 54.580 . 1 117 33 33 ARG CB C 23.670 . 1 118 33 33 ARG N N 124.497 . 1 119 34 34 GLU H H 10.074 . 1 120 34 34 GLU CA C 56.395 . 1 121 34 34 GLU CB C 25.056 . 1 122 34 34 GLU N N 118.638 . 1 123 35 35 ASN H H 8.346 . 1 124 35 35 ASN CA C 48.915 . 1 125 35 35 ASN CB C 36.186 . 1 126 35 35 ASN N N 113.721 . 1 127 37 37 ARG H H 8.348 . 1 128 37 37 ARG CA C 53.450 . 1 129 37 37 ARG CB C 27.913 . 1 130 37 37 ARG N N 121.221 . 1 131 38 38 PHE H H 8.838 . 1 132 38 38 PHE CA C 53.798 . 1 133 38 38 PHE CB C 40.371 . 1 134 38 38 PHE N N 119.701 . 1 135 39 39 ALA H H 9.139 . 1 136 39 39 ALA CA C 48.942 . 1 137 39 39 ALA CB C 14.810 . 1 138 39 39 ALA N N 125.201 . 1 139 40 40 TYR H H 7.058 . 1 140 40 40 TYR CA C 54.336 . 1 141 40 40 TYR CB C 32.694 . 1 142 40 40 TYR N N 119.342 . 1 143 41 41 THR H H 10.796 . 1 144 41 41 THR CA C 59.132 . 1 145 41 41 THR CB C 59.655 . 1 146 41 41 THR N N 127.414 . 1 147 42 42 SER H H 8.025 . 1 148 42 42 SER CA C 53.358 . 1 149 42 42 SER CB C 63.467 . 1 150 42 42 SER N N 119.470 . 1 151 43 43 THR H H 8.150 . 1 152 43 43 THR CA C 58.941 . 1 153 43 43 THR CB C 60.324 . 1 154 43 43 THR N N 116.259 . 1 155 44 44 PHE H H 8.100 . 1 156 44 44 PHE CA C 57.856 . 1 157 44 44 PHE CB C 35.103 . 1 158 44 44 PHE N N 124.262 . 1 159 47 47 LEU H H 6.926 . 1 160 47 47 LEU CA C 53.749 . 1 161 47 47 LEU CB C 35.885 . 1 162 47 47 LEU N N 114.892 . 1 163 48 48 ALA H H 7.545 . 1 164 48 48 ALA CA C 51.390 . 1 165 48 48 ALA CB C 14.713 . 1 166 48 48 ALA N N 118.166 . 1 167 49 49 VAL H H 8.066 . 1 168 49 49 VAL CA C 64.131 . 1 169 49 49 VAL CB C 27.649 . 1 170 49 49 VAL N N 115.338 . 1 171 50 50 GLY H H 7.980 . 1 172 50 50 GLY CA C 43.952 . 1 173 50 50 GLY N N 108.095 . 1 174 51 51 ALA H H 7.630 . 1 175 51 51 ALA CA C 52.086 . 1 176 51 51 ALA CB C 15.669 . 1 177 51 51 ALA N N 122.974 . 1 178 52 52 VAL H H 8.167 . 1 179 52 52 VAL CA C 63.047 . 1 180 52 52 VAL CB C 28.202 . 1 181 52 52 VAL N N 123.114 . 1 182 53 53 LEU H H 8.551 . 1 183 53 53 LEU CA C 52.872 . 1 184 53 53 LEU CB C 37.563 . 1 185 53 53 LEU N N 118.126 . 1 186 54 54 GLN H H 8.636 . 1 187 54 54 GLN CA C 54.825 . 1 188 54 54 GLN CB C 26.939 . 1 189 54 54 GLN N N 122.539 . 1 190 55 55 THR H H 7.358 . 1 191 55 55 THR CA C 59.872 . 1 192 55 55 THR CB C 57.896 . 1 193 55 55 THR N N 104.794 . 1 194 56 56 LYS H H 8.020 . 1 195 56 56 LYS CA C 51.011 . 1 196 56 56 LYS CB C 28.462 . 1 197 56 56 LYS N N 120.753 . 1 198 57 57 SER H H 9.881 . 1 199 57 57 SER CA C 54.303 . 1 200 57 57 SER CB C 62.153 . 1 201 57 57 SER N N 120.980 . 1 202 58 58 ASP H H 8.934 . 1 203 58 58 ASP CA C 55.117 . 1 204 58 58 ASP CB C 36.495 . 1 205 58 58 ASP N N 120.614 . 1 206 59 59 GLU H H 8.490 . 1 207 59 59 GLU CA C 56.784 . 1 208 59 59 GLU CB C 25.560 . 1 209 59 59 GLU N N 117.840 . 1 210 60 60 GLU H H 7.753 . 1 211 60 60 GLU CA C 55.751 . 1 212 60 60 GLU CB C 27.086 . 1 213 60 60 GLU N N 119.593 . 1 214 61 61 LEU H H 7.860 . 1 215 61 61 LEU CA C 54.340 . 1 216 61 61 LEU CB C 37.615 . 1 217 61 61 LEU N N 117.938 . 1 218 62 62 GLU H H 6.931 . 1 219 62 62 GLU CA C 52.077 . 1 220 62 62 GLU CB C 27.217 . 1 221 62 62 GLU N N 112.674 . 1 222 63 63 GLU H H 6.954 . 1 223 63 63 GLU CA C 53.192 . 1 224 63 63 GLU CB C 27.159 . 1 225 63 63 GLU N N 121.333 . 1 226 64 64 THR H H 8.556 . 1 227 64 64 THR CA C 61.738 . 1 228 64 64 THR CB C 61.053 . 1 229 64 64 THR N N 120.617 . 1 230 65 65 ILE H H 9.209 . 1 231 65 65 ILE CA C 56.968 . 1 232 65 65 ILE CB C 33.609 . 1 233 65 65 ILE N N 133.369 . 1 234 66 66 THR H H 7.999 . 1 235 66 66 THR CA C 56.898 . 1 236 66 66 THR CB C 59.635 . 1 237 66 66 THR N N 116.632 . 1 238 67 67 TYR H H 8.043 . 1 239 67 67 TYR CA C 52.878 . 1 240 67 67 TYR CB C 34.826 . 1 241 67 67 TYR N N 119.688 . 1 242 68 68 SER H H 9.331 . 1 243 68 68 SER CA C 53.686 . 1 244 68 68 SER CB C 63.467 . 1 245 68 68 SER N N 114.663 . 1 246 69 69 GLU H H 9.135 . 1 247 69 69 GLU CA C 56.545 . 1 248 69 69 GLU CB C 25.723 . 1 249 69 69 GLU N N 121.932 . 1 250 70 70 GLU H H 8.448 . 1 251 70 70 GLU CA C 55.219 . 1 252 70 70 GLU CB C 25.545 . 1 253 70 70 GLU N N 116.777 . 1 254 71 71 ASP H H 7.680 . 1 255 71 71 ASP CA C 52.179 . 1 256 71 71 ASP CB C 38.852 . 1 257 71 71 ASP N N 117.004 . 1 258 72 72 LEU H H 7.038 . 1 259 72 72 LEU CA C 51.930 . 1 260 72 72 LEU CB C 38.009 . 1 261 72 72 LEU N N 116.762 . 1 262 73 73 VAL H H 7.578 . 1 263 73 73 VAL CA C 55.659 . 1 264 73 73 VAL CB C 30.166 . 1 265 73 73 VAL N N 116.295 . 1 266 74 74 THR H H 8.126 . 1 267 74 74 THR CA C 61.787 . 1 268 74 74 THR CB C 60.610 . 1 269 74 74 THR N N 118.541 . 1 270 75 75 TYR H H 8.713 . 1 271 75 75 TYR CA C 58.062 . 1 272 75 75 TYR CB C 33.019 . 1 273 75 75 TYR N N 124.254 . 1 274 76 76 SER H H 8.310 . 1 275 76 76 SER CA C 52.579 . 1 276 76 76 SER CB C 61.557 . 1 277 76 76 SER N N 119.810 . 1 278 78 78 ILE H H 8.395 . 1 279 78 78 ILE CA C 57.422 . 1 280 78 78 ILE CB C 32.958 . 1 281 78 78 ILE N N 116.541 . 1 282 79 79 THR H H 9.777 . 1 283 79 79 THR CA C 61.387 . 1 284 79 79 THR CB C 61.216 . 1 285 79 79 THR N N 114.423 . 1 286 80 80 GLU H H 8.141 . 1 287 80 80 GLU CA C 55.708 . 1 288 80 80 GLU CB C 25.178 . 1 289 80 80 GLU N N 120.050 . 1 290 81 81 GLN H H 7.342 . 1 291 81 81 GLN CA C 53.249 . 1 292 81 81 GLN CB C 25.653 . 1 293 81 81 GLN N N 115.129 . 1 294 82 82 HIS H H 6.955 . 1 295 82 82 HIS CA C 51.398 . 1 296 82 82 HIS CB C 25.782 . 1 297 82 82 HIS N N 113.354 . 1 298 83 83 VAL H H 7.072 . 1 299 83 83 VAL CA C 61.503 . 1 300 83 83 VAL CB C 28.616 . 1 301 83 83 VAL N N 119.581 . 1 302 84 84 ASP H H 8.225 . 1 303 84 84 ASP CA C 53.845 . 1 304 84 84 ASP CB C 37.093 . 1 305 84 84 ASP N N 116.993 . 1 306 85 85 GLU H H 8.035 . 1 307 85 85 GLU CA C 53.651 . 1 308 85 85 GLU CB C 27.980 . 1 309 85 85 GLU N N 117.496 . 1 310 86 86 GLY H H 7.986 . 1 311 86 86 GLY CA C 41.931 . 1 312 86 86 GLY N N 109.730 . 1 313 87 87 MET H H 8.203 . 1 314 87 87 MET CA C 51.813 . 1 315 87 87 MET CB C 37.420 . 1 316 87 87 MET N N 113.949 . 1 317 88 88 THR H H 8.868 . 1 318 88 88 THR CA C 57.619 . 1 319 88 88 THR CB C 59.070 . 1 320 88 88 THR N N 112.081 . 1 321 89 89 LEU H H 8.905 . 1 322 89 89 LEU CA C 55.315 . 1 323 89 89 LEU CB C 38.268 . 1 324 89 89 LEU N N 120.038 . 1 325 90 90 VAL H H 7.477 . 1 326 90 90 VAL CA C 63.551 . 1 327 90 90 VAL CB C 28.134 . 1 328 90 90 VAL N N 116.060 . 1 329 91 91 GLU H H 7.404 . 1 330 91 91 GLU CA C 55.857 . 1 331 91 91 GLU CB C 26.368 . 1 332 91 91 GLU N N 121.221 . 1 333 92 92 ILE H H 8.842 . 1 334 92 92 ILE CA C 62.671 . 1 335 92 92 ILE CB C 34.283 . 1 336 92 92 ILE N N 123.799 . 1 337 93 93 ALA H H 8.332 . 1 338 93 93 ALA CA C 52.015 . 1 339 93 93 ALA CB C 15.291 . 1 340 93 93 ALA N N 122.497 . 1 341 94 94 ASP H H 7.906 . 1 342 94 94 ASP CA C 55.507 . 1 343 94 94 ASP CB C 40.320 . 1 344 94 94 ASP N N 117.711 . 1 345 95 95 ALA H H 7.789 . 1 346 95 95 ALA CA C 51.989 . 1 347 95 95 ALA CB C 14.274 . 1 348 95 95 ALA N N 119.106 . 1 349 96 96 ALA H H 8.581 . 1 350 96 96 ALA CA C 52.036 . 1 351 96 96 ALA CB C 15.054 . 1 352 96 96 ALA N N 119.817 . 1 353 97 97 ILE H H 8.190 . 1 354 97 97 ILE CA C 62.033 . 1 355 97 97 ILE CB C 33.688 . 1 356 97 97 ILE N N 112.111 . 1 357 98 98 ARG H H 8.750 . 1 358 98 98 ARG CA C 56.271 . 1 359 98 98 ARG CB C 26.438 . 1 360 98 98 ARG N N 111.579 . 1 361 99 99 TYR H H 7.270 . 1 362 99 99 TYR CA C 54.838 . 1 363 99 99 TYR CB C 36.455 . 1 364 99 99 TYR N N 110.861 . 1 365 100 100 SER H H 7.159 . 1 366 100 100 SER CA C 56.464 . 1 367 100 100 SER CB C 60.207 . 1 368 100 100 SER N N 117.109 . 1 369 101 101 ASP H H 7.079 . 1 370 101 101 ASP CA C 52.438 . 1 371 101 101 ASP CB C 40.765 . 1 372 101 101 ASP N N 119.102 . 1 373 102 102 ASN H H 9.192 . 1 374 102 102 ASN CA C 53.621 . 1 375 102 102 ASN CB C 35.273 . 1 376 102 102 ASN N N 127.063 . 1 377 103 103 THR H H 7.661 . 1 378 103 103 THR CA C 65.011 . 1 379 103 103 THR CB C 63.306 . 1 380 103 103 THR N N 120.985 . 1 381 104 104 ALA H H 8.794 . 1 382 104 104 ALA CA C 52.112 . 1 383 104 104 ALA CB C 14.753 . 1 384 104 104 ALA N N 123.329 . 1 385 105 105 GLY H H 7.783 . 1 386 105 105 GLY CA C 45.219 . 1 387 105 105 GLY N N 131.761 . 1 388 106 106 ASN H H 7.664 . 1 389 106 106 ASN CA C 52.652 . 1 390 106 106 ASN CB C 33.875 . 1 391 106 106 ASN N N 121.789 . 1 392 107 107 LEU H H 8.817 . 1 393 107 107 LEU CA C 54.939 . 1 394 107 107 LEU CB C 37.420 . 1 395 107 107 LEU N N 121.967 . 1 396 108 108 LEU H H 8.048 . 1 397 108 108 LEU CA C 54.804 . 1 398 108 108 LEU CB C 38.795 . 1 399 108 108 LEU N N 119.595 . 1 400 109 109 LEU H H 7.871 . 1 401 109 109 LEU CA C 55.507 . 1 402 109 109 LEU CB C 39.774 . 1 403 109 109 LEU N N 116.998 . 1 404 110 110 GLU H H 9.078 . 1 405 110 110 GLU CA C 56.384 . 1 406 110 110 GLU CB C 26.149 . 1 407 110 110 GLU N N 118.900 . 1 408 111 111 ALA H H 8.098 . 1 409 111 111 ALA CA C 51.489 . 1 410 111 111 ALA CB C 14.657 . 1 411 111 111 ALA N N 122.863 . 1 412 112 112 MET H H 7.158 . 1 413 112 112 MET CA C 49.363 . 1 414 112 112 MET CB C 27.267 . 1 415 112 112 MET N N 112.545 . 1 416 114 114 GLY H H 8.344 . 1 417 114 114 GLY CA C 42.422 . 1 418 114 114 GLY N N 107.386 . 1 419 116 116 ASP H H 8.034 . 1 420 116 116 ASP CA C 54.036 . 1 421 116 116 ASP CB C 36.651 . 1 422 116 116 ASP N N 113.669 . 1 423 117 117 GLU H H 7.106 . 1 424 117 117 GLU CA C 55.039 . 1 425 117 117 GLU CB C 25.843 . 1 426 117 117 GLU N N 119.467 . 1 427 118 118 LEU H H 7.945 . 1 428 118 118 LEU CA C 54.685 . 1 429 118 118 LEU CB C 36.126 . 1 430 118 118 LEU N N 121.427 . 1 431 119 119 GLU H H 8.437 . 1 432 119 119 GLU CA C 57.566 . 1 433 119 119 GLU CB C 27.705 . 1 434 119 119 GLU N N 119.864 . 1 435 120 120 THR H H 7.351 . 1 436 120 120 THR CA C 63.720 . 1 437 120 120 THR CB C 61.254 . 1 438 120 120 THR N N 112.557 . 1 439 121 121 ILE H H 7.349 . 1 440 121 121 ILE CA C 60.706 . 1 441 121 121 ILE CB C 33.491 . 1 442 121 121 ILE N N 123.317 . 1 443 122 122 LEU H H 7.932 . 1 444 122 122 LEU CA C 54.193 . 1 445 122 122 LEU CB C 35.782 . 1 446 122 122 LEU N N 119.570 . 1 447 123 123 ARG H H 8.919 . 1 448 123 123 ARG CA C 54.715 . 1 449 123 123 ARG CB C 25.874 . 1 450 123 123 ARG N N 121.711 . 1 451 124 124 ASP H H 7.644 . 1 452 124 124 ASP CA C 53.706 . 1 453 124 124 ASP CB C 37.398 . 1 454 124 124 ASP N N 119.860 . 1 455 125 125 ILE H H 7.271 . 1 456 125 125 ILE CA C 57.764 . 1 457 125 125 ILE CB C 34.305 . 1 458 125 125 ILE N N 114.410 . 1 459 126 126 GLY H H 7.491 . 1 460 126 126 GLY CA C 41.688 . 1 461 126 126 GLY N N 107.391 . 1 462 127 127 ASP H H 8.156 . 1 463 127 127 ASP CA C 50.214 . 1 464 127 127 ASP CB C 36.837 . 1 465 127 127 ASP N N 122.388 . 1 466 128 128 GLU H H 8.043 . 1 467 128 128 GLU CA C 52.962 . 1 468 128 128 GLU CB C 26.742 . 1 469 128 128 GLU N N 124.734 . 1 470 129 129 THR H H 8.809 . 1 471 129 129 THR CA C 61.981 . 1 472 129 129 THR CB C 60.082 . 1 473 129 129 THR N N 120.282 . 1 474 130 130 ILE H H 8.826 . 1 475 130 130 ILE CA C 60.412 . 1 476 130 130 ILE CB C 33.678 . 1 477 130 130 ILE N N 126.294 . 1 478 131 131 GLU H H 8.509 . 1 479 131 131 GLU CA C 51.389 . 1 480 131 131 GLU CB C 27.756 . 1 481 131 131 GLU N N 128.714 . 1 482 132 132 MET H H 9.119 . 1 483 132 132 MET CA C 51.935 . 1 484 132 132 MET CB C 31.964 . 1 485 132 132 MET N N 120.999 . 1 486 133 133 ASP H H 8.274 . 1 487 133 133 ASP CA C 53.354 . 1 488 133 133 ASP CB C 43.458 . 1 489 133 133 ASP N N 121.217 . 1 490 134 134 ARG H H 10.236 . 1 491 134 134 ARG CA C 52.610 . 1 492 134 134 ARG CB C 31.025 . 1 493 134 134 ARG N N 123.099 . 1 494 135 135 TYR H H 7.981 . 1 495 135 135 TYR CA C 54.234 . 1 496 135 135 TYR CB C 35.881 . 1 497 135 135 TYR N N 114.257 . 1 498 136 136 GLU H H 10.302 . 1 499 136 136 GLU CA C 49.704 . 1 500 136 136 GLU CB C 24.510 . 1 501 136 136 GLU N N 116.507 . 1 502 137 137 THR H H 7.819 . 1 503 137 137 THR CA C 60.902 . 1 504 137 137 THR CB C 60.775 . 1 505 137 137 THR N N 109.529 . 1 506 138 138 GLU H H 8.756 . 1 507 138 138 GLU CA C 57.472 . 1 508 138 138 GLU CB C 26.201 . 1 509 138 138 GLU N N 129.423 . 1 510 139 139 LEU H H 7.896 . 1 511 139 139 LEU CA C 53.848 . 1 512 139 139 LEU CB C 36.682 . 1 513 139 139 LEU N N 112.542 . 1 514 140 140 ASN H H 7.770 . 1 515 140 140 ASN CA C 51.097 . 1 516 140 140 ASN CB C 36.720 . 1 517 140 140 ASN N N 119.338 . 1 518 141 141 GLU H H 7.526 . 1 519 141 141 GLU CA C 57.960 . 1 520 141 141 GLU CB C 26.169 . 1 521 141 141 GLU N N 122.622 . 1 522 142 142 ALA H H 9.171 . 1 523 142 142 ALA CA C 48.553 . 1 524 142 142 ALA CB C 19.380 . 1 525 142 142 ALA N N 115.913 . 1 526 145 145 GLY H H 8.645 . 1 527 145 145 GLY CA C 42.074 . 1 528 145 145 GLY N N 113.013 . 1 529 146 146 ASP H H 7.390 . 1 530 146 146 ASP CA C 49.428 . 1 531 146 146 ASP CB C 38.729 . 1 532 146 146 ASP N N 121.470 . 1 533 147 147 ILE H H 8.262 . 1 534 147 147 ILE CA C 58.164 . 1 535 147 147 ILE CB C 35.387 . 1 536 147 147 ILE N N 125.450 . 1 537 148 148 ARG H H 7.690 . 1 538 148 148 ARG CA C 54.038 . 1 539 148 148 ARG CB C 27.155 . 1 540 148 148 ARG N N 122.629 . 1 541 149 149 ASP H H 7.667 . 1 542 149 149 ASP CA C 51.295 . 1 543 149 149 ASP CB C 38.232 . 1 544 149 149 ASP N N 118.873 . 1 545 150 150 THR H H 7.651 . 1 546 150 150 THR CA C 56.342 . 1 547 150 150 THR CB C 54.771 . 1 548 150 150 THR N N 133.402 . 1 549 151 151 SER H H 8.494 . 1 550 151 151 SER CA C 53.066 . 1 551 151 151 SER CB C 61.160 . 1 552 151 151 SER N N 109.977 . 1 553 152 152 THR H H 8.799 . 1 554 152 152 THR CA C 54.925 . 1 555 152 152 THR CB C 58.232 . 1 556 152 152 THR N N 109.731 . 1 557 153 153 ALA H H 10.118 . 1 558 153 153 ALA CA C 52.564 . 1 559 153 153 ALA CB C 13.787 . 1 560 153 153 ALA N N 124.031 . 1 561 154 154 LYS H H 7.967 . 1 562 154 154 LYS CA C 55.907 . 1 563 154 154 LYS CB C 29.471 . 1 564 154 154 LYS N N 114.187 . 1 565 155 155 ALA H H 7.859 . 1 566 155 155 ALA CA C 52.265 . 1 567 155 155 ALA CB C 15.022 . 1 568 155 155 ALA N N 123.797 . 1 569 156 156 MET H H 8.356 . 1 570 156 156 MET CA C 53.256 . 1 571 156 156 MET CB C 26.284 . 1 572 156 156 MET N N 114.520 . 1 573 157 157 ALA H H 7.770 . 1 574 157 157 ALA CA C 52.075 . 1 575 157 157 ALA CB C 15.832 . 1 576 157 157 ALA N N 117.482 . 1 577 158 158 THR H H 7.893 . 1 578 158 158 THR CA C 63.728 . 1 579 158 158 THR CB C 61.378 . 1 580 158 158 THR N N 112.312 . 1 581 159 159 THR H H 8.994 . 1 582 159 159 THR CA C 63.958 . 1 583 159 159 THR CB C 63.273 . 1 584 159 159 THR N N 122.112 . 1 585 160 160 LEU H H 8.039 . 1 586 160 160 LEU CA C 55.749 . 1 587 160 160 LEU CB C 37.899 . 1 588 160 160 LEU N N 121.491 . 1 589 161 161 GLN H H 8.424 . 1 590 161 161 GLN CA C 56.582 . 1 591 161 161 GLN CB C 24.374 . 1 592 161 161 GLN N N 117.459 . 1 593 162 162 GLN H H 7.694 . 1 594 162 162 GLN CA C 55.317 . 1 595 162 162 GLN CB C 24.526 . 1 596 162 162 GLN N N 116.995 . 1 597 163 163 TYR H H 6.923 . 1 598 163 163 TYR CA C 59.409 . 1 599 163 163 TYR CB C 36.052 . 1 600 163 163 TYR N N 110.658 . 1 601 164 164 VAL H H 8.322 . 1 602 164 164 VAL CA C 61.886 . 1 603 164 164 VAL CB C 29.468 . 1 604 164 164 VAL N N 114.415 . 1 605 165 165 LEU H H 8.157 . 1 606 165 165 LEU CA C 51.489 . 1 607 165 165 LEU CB C 40.269 . 1 608 165 165 LEU N N 113.707 . 1 609 166 166 GLU H H 6.885 . 1 610 166 166 GLU CA C 51.437 . 1 611 166 166 GLU CB C 24.068 . 1 612 166 166 GLU N N 117.303 . 1 613 167 167 ASP H H 8.253 . 1 614 167 167 ASP CA C 51.321 . 1 615 167 167 ASP CB C 37.052 . 1 616 167 167 ASP N N 119.222 . 1 617 168 168 VAL H H 6.744 . 1 618 168 168 VAL CA C 62.618 . 1 619 168 168 VAL CB C 29.250 . 1 620 168 168 VAL N N 119.547 . 1 621 169 169 LEU H H 9.203 . 1 622 169 169 LEU CA C 49.170 . 1 623 169 169 LEU CB C 40.448 . 1 624 169 169 LEU N N 116.800 . 1 625 170 170 ASP H H 8.048 . 1 626 170 170 ASP CA C 51.100 . 1 627 170 170 ASP CB C 38.650 . 1 628 170 170 ASP N N 119.768 . 1 629 171 171 ALA H H 8.661 . 1 630 171 171 ALA CA C 52.925 . 1 631 171 171 ALA CB C 15.216 . 1 632 171 171 ALA N N 123.603 . 1 633 172 172 ASP H H 8.446 . 1 634 172 172 ASP CA C 54.000 . 1 635 172 172 ASP CB C 36.121 . 1 636 172 172 ASP N N 116.767 . 1 637 173 173 ARG H H 7.904 . 1 638 173 173 ARG CA C 56.191 . 1 639 173 173 ARG CB C 26.945 . 1 640 173 173 ARG N N 121.561 . 1 641 174 174 ARG H H 8.821 . 1 642 174 174 ARG CA C 56.691 . 1 643 174 174 ARG CB C 27.430 . 1 644 174 174 ARG N N 120.759 . 1 645 175 175 GLU H H 7.773 . 1 646 175 175 GLU CA C 56.383 . 1 647 175 175 GLU CB C 25.816 . 1 648 175 175 GLU N N 121.681 . 1 649 176 176 VAL H H 7.266 . 1 650 176 176 VAL CA C 63.358 . 1 651 176 176 VAL CB C 27.993 . 1 652 176 176 VAL N N 119.810 . 1 653 177 177 LEU H H 7.396 . 1 654 177 177 LEU CA C 54.626 . 1 655 177 177 LEU CB C 37.944 . 1 656 177 177 LEU N N 119.367 . 1 657 180 180 MET H H 7.726 . 1 658 180 180 MET CA C 57.567 . 1 659 180 180 MET CB C 29.110 . 1 660 180 180 MET N N 119.611 . 1 661 181 181 LEU H H 7.259 . 1 662 181 181 LEU CA C 54.536 . 1 663 181 181 LEU CB C 38.224 . 1 664 181 181 LEU N N 114.434 . 1 665 182 182 ILE H H 8.622 . 1 666 182 182 ILE CA C 61.783 . 1 667 182 182 ILE CB C 34.917 . 1 668 182 182 ILE N N 122.855 . 1 669 183 183 ASN H H 7.604 . 1 670 183 183 ASN CA C 50.407 . 1 671 183 183 ASN CB C 35.227 . 1 672 183 183 ASN N N 115.367 . 1 673 184 184 ASN H H 7.158 . 1 674 184 184 ASN CA C 53.059 . 1 675 184 184 ASN CB C 36.273 . 1 676 184 184 ASN N N 119.450 . 1 677 185 185 THR H H 8.323 . 1 678 185 185 THR CA C 60.207 . 1 679 185 185 THR CB C 59.172 . 1 680 185 185 THR N N 117.701 . 1 681 186 186 THR H H 7.329 . 1 682 186 186 THR CA C 60.211 . 1 683 186 186 THR CB C 60.354 . 1 684 186 186 THR N N 110.543 . 1 685 187 187 GLY H H 8.973 . 1 686 187 187 GLY CA C 42.759 . 1 687 187 187 GLY N N 112.427 . 1 688 188 188 ASP H H 8.867 . 1 689 188 188 ASP CA C 55.377 . 1 690 188 188 ASP CB C 36.187 . 1 691 188 188 ASP N N 124.500 . 1 692 189 189 ALA H H 8.296 . 1 693 189 189 ALA CA C 48.649 . 1 694 189 189 ALA CB C 15.810 . 1 695 189 189 ALA N N 117.436 . 1 696 190 190 LEU H H 6.761 . 1 697 190 190 LEU CA C 51.587 . 1 698 190 190 LEU CB C 37.639 . 1 699 190 190 LEU N N 119.099 . 1 700 191 191 ILE H H 7.833 . 1 701 191 191 ILE CA C 61.859 . 1 702 191 191 ILE CB C 34.455 . 1 703 191 191 ILE N N 126.604 . 1 704 192 192 ARG H H 8.595 . 1 705 192 192 ARG CA C 56.410 . 1 706 192 192 ARG CB C 26.945 . 1 707 192 192 ARG N N 113.485 . 1 708 193 193 ALA H H 6.934 . 1 709 193 193 ALA CA C 50.216 . 1 710 193 193 ALA CB C 14.367 . 1 711 193 193 ALA N N 118.414 . 1 712 194 194 GLY H H 7.875 . 1 713 194 194 GLY CA C 41.760 . 1 714 194 194 GLY N N 104.292 . 1 715 195 195 VAL H H 6.520 . 1 716 195 195 VAL CA C 54.729 . 1 717 195 195 VAL CB C 28.930 . 1 718 195 195 VAL N N 113.255 . 1 719 197 197 ASP H H 7.991 . 1 720 197 197 ASP CA C 58.441 . 1 721 197 197 ASP CB C 35.043 . 1 722 197 197 ASP N N 120.279 . 1 723 198 198 GLY H H 8.327 . 1 724 198 198 GLY CA C 42.182 . 1 725 198 198 GLY N N 111.819 . 1 726 199 199 TRP H H 7.668 . 1 727 199 199 TRP CA C 53.845 . 1 728 199 199 TRP CB C 25.067 . 1 729 199 199 TRP N N 121.915 . 1 730 200 200 THR H H 8.343 . 1 731 200 200 THR CA C 60.369 . 1 732 200 200 THR CB C 60.166 . 1 733 200 200 THR N N 120.274 . 1 734 201 201 VAL H H 8.894 . 1 735 201 201 VAL CA C 57.526 . 1 736 201 201 VAL CB C 32.455 . 1 737 201 201 VAL N N 127.028 . 1 738 202 202 GLY H H 9.268 . 1 739 202 202 GLY CA C 41.020 . 1 740 202 202 GLY N N 110.899 . 1 741 203 203 ASP H H 8.160 . 1 742 203 203 ASP CA C 50.201 . 1 743 203 203 ASP CB C 40.914 . 1 744 203 203 ASP N N 123.065 . 1 745 204 204 LYS H H 8.620 . 1 746 204 204 LYS CA C 51.164 . 1 747 204 204 LYS CB C 32.123 . 1 748 204 204 LYS N N 112.823 . 1 749 205 205 THR H H 6.204 . 1 750 205 205 THR CA C 58.059 . 1 751 205 205 THR CB C 58.338 . 1 752 205 205 THR N N 113.026 . 1 753 206 206 GLY H H 8.483 . 1 754 206 206 GLY CA C 43.460 . 1 755 206 206 GLY N N 105.040 . 1 756 212 212 THR H H 7.390 . 1 757 212 212 THR CA C 61.240 . 1 758 212 212 THR CB C 60.438 . 1 759 212 212 THR N N 118.171 . 1 760 213 213 ARG H H 7.898 . 1 761 213 213 ARG CA C 51.091 . 1 762 213 213 ARG CB C 29.197 . 1 763 213 213 ARG N N 125.828 . 1 764 214 214 ASN H H 8.134 . 1 765 214 214 ASN CA C 47.369 . 1 766 214 214 ASN CB C 41.639 . 1 767 214 214 ASN N N 121.694 . 1 768 215 215 ASP H H 9.288 . 1 769 215 215 ASP CA C 51.459 . 1 770 215 215 ASP CB C 39.784 . 1 771 215 215 ASP N N 118.171 . 1 772 216 216 ILE H H 8.192 . 1 773 216 216 ILE CA C 54.657 . 1 774 216 216 ILE CB C 36.631 . 1 775 216 216 ILE N N 119.105 . 1 776 217 217 GLY H H 9.605 . 1 777 217 217 GLY CA C 43.817 . 1 778 217 217 GLY N N 108.571 . 1 779 218 218 ILE H H 8.879 . 1 780 218 218 ILE CA C 55.612 . 1 781 218 218 ILE CB C 37.473 . 1 782 218 218 ILE N N 118.151 . 1 783 219 219 ILE H H 9.054 . 1 784 219 219 ILE CA C 56.145 . 1 785 219 219 ILE CB C 38.339 . 1 786 219 219 ILE N N 124.032 . 1 787 220 220 TRP H H 9.832 . 1 788 220 220 TRP CA C 53.898 . 1 789 220 220 TRP CB C 26.377 . 1 790 220 220 TRP N N 128.720 . 1 791 228 228 ILE H H 8.938 . 1 792 228 228 ILE CA C 56.136 . 1 793 228 228 ILE CB C 38.441 . 1 794 228 228 ILE N N 121.365 . 1 795 229 229 VAL H H 8.564 . 1 796 229 229 VAL CA C 58.352 . 1 797 229 229 VAL CB C 28.821 . 1 798 229 229 VAL N N 127.543 . 1 799 230 230 ILE H H 8.919 . 1 800 230 230 ILE CA C 55.814 . 1 801 230 230 ILE CB C 39.243 . 1 802 230 230 ILE N N 124.035 . 1 803 231 231 ALA H H 9.250 . 1 804 231 231 ALA CA C 48.646 . 1 805 231 231 ALA CB C 20.273 . 1 806 231 231 ALA N N 127.307 . 1 807 232 232 ILE H H 8.382 . 1 808 232 232 ILE CA C 57.172 . 1 809 232 232 ILE CB C 36.440 . 1 810 232 232 ILE N N 121.457 . 1 811 233 233 MET H H 9.284 . 1 812 233 233 MET CA C 49.726 . 1 813 233 233 MET CB C 32.648 . 1 814 233 233 MET N N 125.440 . 1 815 234 234 SER H H 7.708 . 1 816 234 234 SER CA C 54.978 . 1 817 234 234 SER CB C 61.541 . 1 818 234 234 SER N N 112.892 . 1 819 241 241 ALA H H 7.125 . 1 820 241 241 ALA CA C 49.429 . 1 821 241 241 ALA CB C 17.063 . 1 822 241 241 ALA N N 121.174 . 1 823 242 242 ASP H H 8.249 . 1 824 242 242 ASP CA C 50.259 . 1 825 242 242 ASP CB C 38.901 . 1 826 242 242 ASP N N 119.106 . 1 827 243 243 TYR H H 7.154 . 1 828 243 243 TYR CA C 51.888 . 1 829 243 243 TYR CB C 37.956 . 1 830 243 243 TYR N N 114.671 . 1 831 244 244 ASP H H 9.206 . 1 832 244 244 ASP CA C 49.720 . 1 833 244 244 ASP CB C 40.051 . 1 834 244 244 ASP N N 120.754 . 1 835 245 245 ASP H H 8.888 . 1 836 245 245 ASP CA C 54.921 . 1 837 245 245 ASP CB C 37.692 . 1 838 245 245 ASP N N 127.787 . 1 839 246 246 LYS H H 8.577 . 1 840 246 246 LYS CA C 54.387 . 1 841 246 246 LYS CB C 28.018 . 1 842 246 246 LYS N N 118.175 . 1 843 247 247 LEU H H 7.064 . 1 844 247 247 LEU CA C 54.722 . 1 845 247 247 LEU CB C 38.075 . 1 846 247 247 LEU N N 117.552 . 1 847 248 248 ILE H H 6.888 . 1 848 248 248 ILE CA C 60.312 . 1 849 248 248 ILE CB C 32.179 . 1 850 248 248 ILE N N 115.351 . 1 851 249 249 GLU H H 7.186 . 1 852 249 249 GLU CA C 56.933 . 1 853 249 249 GLU CB C 25.546 . 1 854 249 249 GLU N N 124.026 . 1 855 250 250 LYS H H 8.274 . 1 856 250 250 LYS CA C 55.856 . 1 857 250 250 LYS CB C 28.634 . 1 858 250 250 LYS N N 115.977 . 1 859 251 251 ALA H H 8.354 . 1 860 251 251 ALA CA C 52.176 . 1 861 251 251 ALA CB C 13.894 . 1 862 251 251 ALA N N 120.965 . 1 863 252 252 THR H H 7.582 . 1 864 252 252 THR CA C 65.320 . 1 865 252 252 THR CB C 62.009 . 1 866 252 252 THR N N 120.867 . 1 867 253 253 GLU H H 7.540 . 1 868 253 253 GLU CA C 56.884 . 1 869 253 253 GLU CB C 26.299 . 1 870 253 253 GLU N N 119.614 . 1 871 254 254 ILE H H 7.727 . 1 872 254 254 ILE CA C 61.594 . 1 873 254 254 ILE CB C 34.682 . 1 874 254 254 ILE N N 119.331 . 1 875 255 255 VAL H H 8.177 . 1 876 255 255 VAL CA C 63.847 . 1 877 255 255 VAL CB C 27.456 . 1 878 255 255 VAL N N 120.045 . 1 879 256 256 LEU H H 8.184 . 1 880 256 256 LEU CA C 54.914 . 1 881 256 256 LEU CB C 36.880 . 1 882 256 256 LEU N N 116.531 . 1 883 257 257 GLN H H 7.771 . 1 884 257 257 GLN CA C 55.464 . 1 885 257 257 GLN CB C 24.730 . 1 886 257 257 GLN N N 118.402 . 1 887 258 258 GLU H H 7.870 . 1 888 258 258 GLU CA C 55.018 . 1 889 258 258 GLU CB C 26.042 . 1 890 258 258 GLU N N 117.573 . 1 891 259 259 LEU H H 8.081 . 1 892 259 259 LEU CA C 53.451 . 1 893 259 259 LEU CB C 39.526 . 1 894 259 259 LEU N N 116.507 . 1 895 260 260 ARG H H 7.596 . 1 896 260 260 ARG CA C 52.158 . 1 897 260 260 ARG CB C 26.943 . 1 898 260 260 ARG N N 117.222 . 1 899 261 261 ASN H H 7.487 . 1 900 261 261 ASN CA C 51.785 . 1 901 261 261 ASN CB C 37.202 . 1 902 261 261 ASN N N 124.258 . 1 stop_ save_