data_27542 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Macaca fascicularis Eosinophil Cationic Protein backbone assignment ; _BMRB_accession_number 27542 _BMRB_flat_file_name bmr27542.str _Entry_type original _Submission_date 2018-07-12 _Accession_date 2018-07-12 _Entry_origination author _NMR_STAR_version 2.1.1 _Experimental_method NMR _Details 'Backbone atom chemical shifts of the Eosinophil cationic protein from Macaca fascicularis' loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Bernard David N. . 2 Doucet Nicolas . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 141 "13C chemical shifts" 257 "15N chemical shifts" 131 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2018-07-19 original BMRB . stop_ loop_ _Related_BMRB_accession_number _Relationship 27544 'Pongo pygmaeus ECP' 27545 'Pongo abelii RNase 3' 27546 'Aotus trivirgatus EDN' stop_ _Original_release_date 2018-07-12 save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title ; Macaca fascicularis Eosinophil Cationic Protein backbone assignment ; _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 Bernard David N. . 2 Narayanan Chitra . . 3 Bafna Khushboo N. . 4 Bhojane Purva P. . 5 Letourneau Myriam . . 6 Howell Elizabeth E. . 7 Agarwal Pratul K. . 8 Doucet Nicolas . . stop_ _Journal_abbreviation 'Not known' _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 'Macaca fascicularis ECP' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label 'Macaca fascicularis ECP' $MfECP stop_ _System_molecular_weight 15745 _System_physical_state native _System_oligomer_state ? _System_paramagnetic no _System_thiol_state . _Database_query_date . _Details . save_ ######################## # Monomeric polymers # ######################## save_MfECP _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common MfECP _Molecular_mass 15745 _Mol_thiol_state 'all disulfide bound' loop_ _Biological_function ribonuclease stop_ _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 133 _Mol_residue_sequence ; RPPQFTKAQWFAIQHINVNP PRCTIAMRVINNYQRRCKNQ NTFLRTTFAYTANVCRNERI RCPRNRTLHNCHRSRYRVPL LHCDLINPGAQNISTCRYAD RPGRRFYVVACESRDPRDSP RYPVVPVHLDTTI ; loop_ _Residue_seq_code _Residue_label 1 ARG 2 PRO 3 PRO 4 GLN 5 PHE 6 THR 7 LYS 8 ALA 9 GLN 10 TRP 11 PHE 12 ALA 13 ILE 14 GLN 15 HIS 16 ILE 17 ASN 18 VAL 19 ASN 20 PRO 21 PRO 22 ARG 23 CYS 24 THR 25 ILE 26 ALA 27 MET 28 ARG 29 VAL 30 ILE 31 ASN 32 ASN 33 TYR 34 GLN 35 ARG 36 ARG 37 CYS 38 LYS 39 ASN 40 GLN 41 ASN 42 THR 43 PHE 44 LEU 45 ARG 46 THR 47 THR 48 PHE 49 ALA 50 TYR 51 THR 52 ALA 53 ASN 54 VAL 55 CYS 56 ARG 57 ASN 58 GLU 59 ARG 60 ILE 61 ARG 62 CYS 63 PRO 64 ARG 65 ASN 66 ARG 67 THR 68 LEU 69 HIS 70 ASN 71 CYS 72 HIS 73 ARG 74 SER 75 ARG 76 TYR 77 ARG 78 VAL 79 PRO 80 LEU 81 LEU 82 HIS 83 CYS 84 ASP 85 LEU 86 ILE 87 ASN 88 PRO 89 GLY 90 ALA 91 GLN 92 ASN 93 ILE 94 SER 95 THR 96 CYS 97 ARG 98 TYR 99 ALA 100 ASP 101 ARG 102 PRO 103 GLY 104 ARG 105 ARG 106 PHE 107 TYR 108 VAL 109 VAL 110 ALA 111 CYS 112 GLU 113 SER 114 ARG 115 ASP 116 PRO 117 ARG 118 ASP 119 SER 120 PRO 121 ARG 122 TYR 123 PRO 124 VAL 125 VAL 126 PRO 127 VAL 128 HIS 129 LEU 130 ASP 131 THR 132 THR 133 ILE 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 P47779 ECP_MACFA . . . . . EMBL U24098.1 . . . . . . 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 $MfECP 'crab-eating macaque' 9541 Eukaryota Metazoa Macaca fascicularis RNASE3 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 $MfECP 'recombinant technology' . Escherichia coli BL21(DE3) 'pJexpress 414' 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 _Concentration_min_value _Concentration_max_value _Isotopic_labeling $MfECP 300 uM 100 500 '[U-99% 13C; U-99% 15N]' 'sodium acetate' 15 mM . . 'natural abundance' stop_ save_ ############################ # Computer software used # ############################ save_CcpNmr _Saveframe_category software _Name CcpNmr _Version . loop_ _Vendor _Address _Electronic_address CCPN . . stop_ loop_ _Task 'peak picking' stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Varian _Model INOVA _Field_strength 500 _Details . save_ ############################# # NMR applied experiments # ############################# save_2D_1H-15N_HSQC_1 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N HSQC' _Sample_label $sample_1 save_ save_3D_HNCACB_2 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCACB' _Sample_label $sample_1 save_ save_3D_CBCA(CO)NH_3 _Saveframe_category NMR_applied_experiment _Experiment_name '3D CBCA(CO)NH' _Sample_label $sample_1 save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units 'ionic strength' 0.015 . M pH 5.0 . 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_ _Software_label $CcpNmr stop_ loop_ _Experiment_label '2D 1H-15N HSQC' '3D HNCACB' '3D CBCA(CO)NH' 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 'Macaca fascicularis ECP' _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 3 3 PRO CA C 64.1946 0.0155 1 2 3 3 PRO CB C 31.7905 0.0536 1 3 4 4 GLN H H 9.0432 0.0016 1 4 4 4 GLN HE21 H 6.9186 . 1 5 4 4 GLN HE22 H 7.2071 . 1 6 4 4 GLN CA C 56.7299 0.0039 1 7 4 4 GLN CB C 27.1121 0.0464 1 8 4 4 GLN N N 117.4643 0.0129 1 9 4 4 GLN NE2 N 111.7512 0.0009 1 10 5 5 PHE H H 7.6189 0.0026 1 11 5 5 PHE CA C 55.4845 0.0091 1 12 5 5 PHE CB C 41.9833 0.0331 1 13 5 5 PHE N N 120.6672 0.0173 1 14 6 6 THR H H 8.8277 0.0029 1 15 6 6 THR CA C 60.8550 0.0390 1 16 6 6 THR CB C 69.4594 0.0319 1 17 6 6 THR N N 112.9500 0.0147 1 18 7 7 LYS H H 9.0299 0.0026 1 19 7 7 LYS CA C 61.7559 0.0199 1 20 7 7 LYS CB C 33.2844 0.0257 1 21 7 7 LYS N N 121.1331 0.0326 1 22 8 8 ALA H H 10.1794 0.0035 1 23 8 8 ALA CA C 55.1682 0.0414 1 24 8 8 ALA CB C 18.7537 0.0534 1 25 8 8 ALA N N 125.4543 0.0482 1 26 9 9 GLN H H 8.3855 0.0049 1 27 9 9 GLN CA C 58.5134 0.0177 1 28 9 9 GLN CB C 28.6187 0.0386 1 29 9 9 GLN N N 118.7497 0.0259 1 30 10 10 TRP H H 8.8013 0.0024 1 31 10 10 TRP HE1 H 10.1843 . 1 32 10 10 TRP CA C 57.9165 0.0231 1 33 10 10 TRP CB C 31.5441 0.0222 1 34 10 10 TRP N N 120.7935 0.0185 1 35 10 10 TRP NE1 N 130.4223 . 1 36 11 11 PHE H H 8.6845 0.0041 1 37 11 11 PHE CA C 61.8587 0.1038 1 38 11 11 PHE CB C 38.8925 0.0723 1 39 11 11 PHE N N 121.9347 0.0354 1 40 12 12 ALA H H 8.2983 0.0045 1 41 12 12 ALA CA C 55.2376 0.0044 1 42 12 12 ALA CB C 17.9676 0.0262 1 43 12 12 ALA N N 122.2434 0.1345 1 44 13 13 ILE H H 7.7773 0.0019 1 45 13 13 ILE CA C 64.6459 0.0360 1 46 13 13 ILE CB C 38.2817 0.0343 1 47 13 13 ILE N N 118.4615 0.0400 1 48 14 14 GLN H H 7.2542 0.0021 1 49 14 14 GLN CA C 58.2119 0.0092 1 50 14 14 GLN CB C 31.0990 0.0281 1 51 14 14 GLN N N 112.4989 0.0223 1 52 15 15 HIS H H 7.7919 0.0028 1 53 15 15 HIS CA C 54.8917 0.0170 1 54 15 15 HIS CB C 30.4494 0.0942 1 55 15 15 HIS N N 106.1004 0.0198 1 56 16 16 ILE H H 8.3087 0.0016 1 57 16 16 ILE CA C 58.8465 0.0216 1 58 16 16 ILE CB C 37.0083 0.0092 1 59 16 16 ILE N N 121.3672 0.0295 1 60 17 17 ASN H H 7.9251 0.0040 1 61 17 17 ASN CA C 53.7792 0.0725 1 62 17 17 ASN CB C 39.5326 0.0270 1 63 17 17 ASN N N 124.1437 0.0131 1 64 18 18 VAL H H 8.5277 0.0010 1 65 18 18 VAL CA C 65.4246 0.0155 1 66 18 18 VAL CB C 32.1709 0.0295 1 67 18 18 VAL N N 121.4571 0.0286 1 68 19 19 ASN H H 7.9905 0.0033 1 69 19 19 ASN HD21 H 6.8059 . 1 70 19 19 ASN HD22 H 7.5740 . 1 71 19 19 ASN CA C 51.1871 . 1 72 19 19 ASN CB C 39.4085 . 1 73 19 19 ASN N N 116.7595 0.0099 1 74 19 19 ASN ND2 N 113.2702 0.0029 1 75 21 21 PRO CA C 61.7435 0.0149 1 76 21 21 PRO CB C 32.2056 0.0280 1 77 22 22 ARG H H 7.8171 0.0017 1 78 22 22 ARG CA C 56.1650 0.0105 1 79 22 22 ARG CB C 30.1609 0.0271 1 80 22 22 ARG N N 112.3117 0.1089 1 81 23 23 CYS H H 11.0200 0.0035 1 82 23 23 CYS CA C 62.6727 0.0087 1 83 23 23 CYS CB C 42.3259 0.0292 1 84 23 23 CYS N N 123.5604 0.0169 1 85 24 24 THR H H 9.9072 0.0035 1 86 24 24 THR CA C 67.7232 0.0280 1 87 24 24 THR CB C 69.8382 0.0785 1 88 24 24 THR N N 117.1786 0.0212 1 89 25 25 ILE H H 7.2473 0.0027 1 90 25 25 ILE CA C 63.0839 0.0129 1 91 25 25 ILE CB C 38.0335 0.0346 1 92 25 25 ILE N N 118.3451 0.0532 1 93 26 26 ALA H H 8.7834 0.0032 1 94 26 26 ALA CA C 54.6893 0.0253 1 95 26 26 ALA CB C 19.0312 0.0523 1 96 26 26 ALA N N 124.0917 0.0118 1 97 27 27 MET H H 8.3063 0.0029 1 98 27 27 MET CA C 53.8558 0.0102 1 99 27 27 MET CB C 30.1556 0.0702 1 100 27 27 MET N N 109.9185 0.0187 1 101 28 28 ARG H H 7.4027 0.0025 1 102 28 28 ARG CA C 59.8265 0.0130 1 103 28 28 ARG CB C 29.9730 0.0344 1 104 28 28 ARG N N 118.9808 0.0136 1 105 29 29 VAL H H 7.3031 0.0029 1 106 29 29 VAL CA C 65.6467 0.0012 1 107 29 29 VAL CB C 32.1712 0.0311 1 108 29 29 VAL N N 115.7629 0.0213 1 109 30 30 ILE H H 6.8159 0.0027 1 110 30 30 ILE CA C 65.2197 0.0484 1 111 30 30 ILE CB C 40.1747 0.0237 1 112 30 30 ILE N N 118.6021 0.0206 1 113 31 31 ASN H H 8.4703 0.0025 1 114 31 31 ASN CA C 54.9500 0.0049 1 115 31 31 ASN CB C 37.8586 0.0238 1 116 31 31 ASN N N 118.5718 0.0089 1 117 32 32 ASN H H 8.4355 0.0038 1 118 32 32 ASN HD21 H 6.7471 . 1 119 32 32 ASN HD22 H 7.3435 . 1 120 32 32 ASN CA C 55.9784 0.0335 1 121 32 32 ASN CB C 38.3388 0.0507 1 122 32 32 ASN N N 118.2617 0.0299 1 123 32 32 ASN ND2 N 111.7402 0.0009 1 124 33 33 TYR H H 7.6765 0.0047 1 125 33 33 TYR CA C 60.7877 0.0342 1 126 33 33 TYR CB C 39.5315 0.0172 1 127 33 33 TYR N N 116.4732 0.0263 1 128 34 34 GLN H H 8.0738 0.0027 1 129 34 34 GLN HE21 H 6.9657 . 1 130 34 34 GLN HE22 H 7.0982 . 1 131 34 34 GLN CA C 55.9749 0.0445 1 132 34 34 GLN CB C 30.3290 0.0411 1 133 34 34 GLN N N 114.5177 0.0449 1 134 34 34 GLN NE2 N 110.7105 0.0094 1 135 35 35 ARG H H 8.3600 0.0032 1 136 35 35 ARG CA C 57.3465 0.0525 1 137 35 35 ARG CB C 27.5775 0.0729 1 138 35 35 ARG N N 115.6604 0.0176 1 139 36 36 ARG H H 7.8205 0.0026 1 140 36 36 ARG CA C 54.9533 0.0226 1 141 36 36 ARG CB C 32.7464 0.0175 1 142 36 36 ARG N N 115.4779 0.0303 1 143 37 37 CYS H H 9.1317 0.0018 1 144 37 37 CYS CA C 54.4115 0.0475 1 145 37 37 CYS CB C 41.1458 0.0245 1 146 37 37 CYS N N 119.0819 0.0169 1 147 38 38 LYS H H 8.6502 0.0043 1 148 38 38 LYS CA C 57.2796 0.0060 1 149 38 38 LYS CB C 33.2689 0.0133 1 150 38 38 LYS N N 125.8737 0.0165 1 151 39 39 ASN H H 9.3475 0.0051 1 152 39 39 ASN HD21 H 7.0810 . 1 153 39 39 ASN HD22 H 7.7916 . 1 154 39 39 ASN CA C 57.1788 0.0204 1 155 39 39 ASN CB C 38.5217 0.0326 1 156 39 39 ASN N N 126.7170 0.0500 1 157 39 39 ASN ND2 N 113.1062 0.0027 1 158 40 40 GLN H H 7.8141 0.0028 1 159 40 40 GLN HE21 H 6.8957 . 1 160 40 40 GLN HE22 H 7.5457 . 1 161 40 40 GLN CA C 54.2402 0.0100 1 162 40 40 GLN CB C 32.4774 0.0485 1 163 40 40 GLN N N 113.6514 0.0636 1 164 40 40 GLN NE2 N 112.1225 0.0157 1 165 41 41 ASN H H 8.2370 0.0038 1 166 41 41 ASN CA C 54.5752 0.0678 1 167 41 41 ASN CB C 44.4486 0.0441 1 168 41 41 ASN N N 114.9694 0.0226 1 169 42 42 THR H H 7.9980 0.0053 1 170 42 42 THR CA C 62.1394 0.0430 1 171 42 42 THR CB C 70.3408 0.0529 1 172 42 42 THR N N 121.6954 0.0716 1 173 43 43 PHE H H 9.4759 0.0034 1 174 43 43 PHE CA C 57.3793 0.0216 1 175 43 43 PHE CB C 40.5205 0.0295 1 176 43 43 PHE N N 125.4641 0.0256 1 177 44 44 LEU H H 9.5399 0.0031 1 178 44 44 LEU CA C 54.1679 0.0744 1 179 44 44 LEU CB C 42.6648 0.0282 1 180 44 44 LEU N N 124.2063 0.0181 1 181 45 45 ARG H H 8.5518 0.0093 1 182 45 45 ARG CA C 54.2259 0.0637 1 183 45 45 ARG CB C 26.9981 0.0519 1 184 45 45 ARG N N 125.7639 0.0268 1 185 46 46 THR H H 7.5141 0.0043 1 186 46 46 THR CA C 58.7880 0.0248 1 187 46 46 THR CB C 69.0876 0.0241 1 188 46 46 THR N N 116.6041 0.0153 1 189 47 47 THR H H 7.9697 0.0033 1 190 47 47 THR CA C 59.3058 0.0212 1 191 47 47 THR CB C 71.4489 0.0534 1 192 47 47 THR N N 107.4976 0.0223 1 193 48 48 PHE H H 9.5121 0.0018 1 194 48 48 PHE CA C 62.1537 0.0210 1 195 48 48 PHE CB C 39.0604 0.0136 1 196 48 48 PHE N N 123.4109 0.0223 1 197 49 49 ALA H H 8.7328 0.0015 1 198 49 49 ALA CA C 55.4138 0.0257 1 199 49 49 ALA CB C 18.8469 0.0374 1 200 49 49 ALA N N 120.3420 0.0203 1 201 50 50 TYR H H 7.7499 0.0038 1 202 50 50 TYR CA C 60.9274 0.0146 1 203 50 50 TYR CB C 37.0486 0.0324 1 204 50 50 TYR N N 117.4855 0.0510 1 205 51 51 THR H H 7.8547 0.0025 1 206 51 51 THR CA C 65.8265 0.0247 1 207 51 51 THR CB C 68.4596 0.0563 1 208 51 51 THR N N 114.7690 0.0232 1 209 52 52 ALA H H 8.2791 0.0042 1 210 52 52 ALA CA C 55.1210 0.1110 1 211 52 52 ALA CB C 16.7099 0.0580 1 212 52 52 ALA N N 123.0338 0.0401 1 213 53 53 ASN H H 7.6338 0.0024 1 214 53 53 ASN HD21 H 7.0044 . 1 215 53 53 ASN HD22 H 7.5617 . 1 216 53 53 ASN CA C 55.8854 0.0528 1 217 53 53 ASN CB C 38.2340 0.0241 1 218 53 53 ASN N N 116.3816 0.0342 1 219 53 53 ASN ND2 N 112.4534 0.0017 1 220 54 54 VAL H H 7.6310 0.0026 1 221 54 54 VAL CA C 66.1085 0.0149 1 222 54 54 VAL CB C 30.6817 0.0075 1 223 54 54 VAL N N 124.3627 0.0284 1 224 55 55 CYS H H 7.0585 0.0068 1 225 55 55 CYS CA C 55.1364 0.1083 1 226 55 55 CYS CB C 39.4320 0.0611 1 227 55 55 CYS N N 113.3838 0.0508 1 228 56 56 ARG H H 7.2094 0.0043 1 229 56 56 ARG CA C 56.0029 0.0273 1 230 56 56 ARG CB C 30.1191 0.0022 1 231 56 56 ARG N N 115.1933 0.0415 1 232 57 57 ASN H H 7.6821 0.0038 1 233 57 57 ASN CA C 52.2157 0.0210 1 234 57 57 ASN CB C 37.9393 0.0418 1 235 57 57 ASN N N 119.3179 0.0128 1 236 58 58 GLU H H 8.8036 0.0045 1 237 58 58 GLU CA C 57.9115 0.0364 1 238 58 58 GLU CB C 29.8055 0.1870 1 239 58 58 GLU N N 121.7079 0.0480 1 240 59 59 ARG H H 8.3921 0.0097 1 241 59 59 ARG CB C 30.8371 0.0570 1 242 59 59 ARG N N 124.3019 0.0345 1 243 60 60 ILE H H 8.5422 0.0036 1 244 60 60 ILE CA C 58.9822 0.0252 1 245 60 60 ILE CB C 43.1342 0.1309 1 246 60 60 ILE N N 119.5313 0.0952 1 247 61 61 ARG H H 8.1483 0.0033 1 248 61 61 ARG CA C 56.1881 0.0621 1 249 61 61 ARG CB C 30.3362 0.0771 1 250 61 61 ARG N N 120.3825 0.0538 1 251 62 62 CYS H H 8.2556 0.0092 1 252 62 62 CYS CA C 52.9052 . 1 253 62 62 CYS CB C 40.9021 . 1 254 62 62 CYS N N 126.2032 0.1118 1 255 63 63 PRO CA C 65.1837 0.0123 1 256 63 63 PRO CB C 32.7297 0.0614 1 257 64 64 ARG H H 10.4790 0.0044 1 258 64 64 ARG CA C 56.7731 0.0732 1 259 64 64 ARG CB C 29.3892 0.0064 1 260 64 64 ARG N N 118.4467 0.0588 1 261 65 65 ASN H H 8.4420 0.0044 1 262 65 65 ASN CA C 52.4959 0.0146 1 263 65 65 ASN CB C 37.4834 0.0446 1 264 65 65 ASN N N 119.2923 0.0598 1 265 66 66 ARG H H 8.1096 0.0069 1 266 66 66 ARG CA C 58.1169 0.0841 1 267 66 66 ARG CB C 29.8887 0.1115 1 268 66 66 ARG N N 120.0385 0.0740 1 269 67 67 THR H H 7.7472 0.0037 1 270 67 67 THR CA C 62.9019 0.0229 1 271 67 67 THR CB C 69.1065 0.0635 1 272 67 67 THR N N 109.3185 0.0877 1 273 68 68 LEU H H 7.9390 0.0037 1 274 68 68 LEU CA C 54.3292 0.0075 1 275 68 68 LEU CB C 43.7477 0.0462 1 276 68 68 LEU N N 122.8855 0.0485 1 277 69 69 HIS H H 8.9087 0.0041 1 278 69 69 HIS CA C 54.3990 0.0249 1 279 69 69 HIS CB C 30.0188 0.0782 1 280 69 69 HIS N N 119.8448 0.0335 1 281 70 70 ASN H H 8.5607 0.0108 1 282 70 70 ASN CA C 51.9941 0.0574 1 283 70 70 ASN CB C 37.3257 0.0490 1 284 70 70 ASN N N 117.6969 0.0467 1 285 71 71 CYS H H 7.5673 0.0071 1 286 71 71 CYS CA C 60.5185 0.0035 1 287 71 71 CYS CB C 47.2017 0.0950 1 288 71 71 CYS N N 116.1917 0.0425 1 289 72 72 HIS H H 8.5034 0.0084 1 290 72 72 HIS CA C 55.3516 0.0357 1 291 72 72 HIS CB C 33.6627 0.0273 1 292 72 72 HIS N N 116.0074 0.0606 1 293 73 73 ARG H H 9.7961 0.0042 1 294 73 73 ARG CA C 53.7127 0.0619 1 295 73 73 ARG CB C 32.9295 0.1103 1 296 73 73 ARG N N 126.5166 0.0396 1 297 74 74 SER H H 9.0789 0.0030 1 298 74 74 SER CA C 59.2849 0.0066 1 299 74 74 SER CB C 63.3767 0.0275 1 300 74 74 SER N N 124.7505 0.0260 1 301 75 75 ARG H H 8.9392 0.0071 1 302 75 75 ARG CA C 57.4456 0.0375 1 303 75 75 ARG CB C 30.5097 0.0495 1 304 75 75 ARG N N 121.7338 0.0405 1 305 76 76 TYR H H 7.5844 0.0026 1 306 76 76 TYR CA C 54.9368 0.0116 1 307 76 76 TYR CB C 41.1580 0.0178 1 308 76 76 TYR N N 113.7964 0.0219 1 309 77 77 ARG H H 8.5964 0.0019 1 310 77 77 ARG CA C 55.5586 0.0447 1 311 77 77 ARG CB C 31.3702 0.0480 1 312 77 77 ARG N N 121.7193 0.0232 1 313 78 78 VAL H H 8.5043 0.0038 1 314 78 78 VAL CA C 57.4035 . 1 315 78 78 VAL CB C 34.1564 . 1 316 78 78 VAL N N 117.7499 0.0221 1 317 79 79 PRO CA C 62.0047 0.0142 1 318 79 79 PRO CB C 31.6426 0.0090 1 319 80 80 LEU H H 8.8167 0.0039 1 320 80 80 LEU CA C 53.7938 0.0208 1 321 80 80 LEU CB C 45.6069 0.0195 1 322 80 80 LEU N N 116.2443 0.0175 1 323 81 81 LEU H H 9.3840 0.0035 1 324 81 81 LEU CA C 54.7749 0.0050 1 325 81 81 LEU CB C 46.0518 0.0759 1 326 81 81 LEU N N 124.2934 0.0221 1 327 82 82 HIS H H 8.3306 0.0029 1 328 82 82 HIS CA C 55.3665 0.1373 1 329 82 82 HIS CB C 30.8722 0.0412 1 330 82 82 HIS N N 127.3827 0.0079 1 331 83 83 CYS H H 8.4001 0.0054 1 332 83 83 CYS CA C 51.8132 0.0096 1 333 83 83 CYS CB C 39.8378 0.0506 1 334 83 83 CYS N N 123.3785 0.0453 1 335 84 84 ASP H H 8.3425 0.0035 1 336 84 84 ASP CA C 53.9901 0.0390 1 337 84 84 ASP CB C 45.3205 0.0300 1 338 84 84 ASP N N 121.8248 0.0174 1 339 85 85 LEU H H 8.7341 0.0027 1 340 85 85 LEU CA C 56.0146 0.0161 1 341 85 85 LEU CB C 42.7972 0.0568 1 342 85 85 LEU N N 127.1673 0.0271 1 343 86 86 ILE H H 8.9131 0.0028 1 344 86 86 ILE CA C 62.7796 0.0312 1 345 86 86 ILE CB C 39.0110 0.0374 1 346 86 86 ILE N N 126.5941 0.0247 1 347 87 87 ASN H H 8.4642 0.0021 1 348 87 87 ASN HD21 H 7.0303 . 1 349 87 87 ASN HD22 H 7.5172 . 1 350 87 87 ASN CA C 51.2735 . 1 351 87 87 ASN CB C 36.7235 . 1 352 87 87 ASN N N 115.8642 0.0339 1 353 87 87 ASN ND2 N 109.3970 0.0281 1 354 88 88 PRO CA C 63.9096 0.0074 1 355 88 88 PRO CB C 31.7813 0.0192 1 356 89 89 GLY H H 8.6419 0.0036 1 357 89 89 GLY CA C 44.8980 0.0099 1 358 89 89 GLY N N 109.0107 0.0221 1 359 90 90 ALA H H 7.6654 0.0036 1 360 90 90 ALA CA C 53.2676 0.0219 1 361 90 90 ALA CB C 19.2335 0.0183 1 362 90 90 ALA N N 124.2531 0.0193 1 363 91 91 GLN H H 8.5273 0.0016 1 364 91 91 GLN HE21 H 6.8716 . 1 365 91 91 GLN HE22 H 7.4714 . 1 366 91 91 GLN CA C 57.0008 0.0285 1 367 91 91 GLN CB C 29.5724 0.0322 1 368 91 91 GLN N N 120.7944 0.0271 1 369 91 91 GLN NE2 N 112.6388 0.0011 1 370 92 92 ASN H H 7.7494 0.0029 1 371 92 92 ASN HD21 H 7.0443 . 1 372 92 92 ASN HD22 H 7.7447 . 1 373 92 92 ASN CA C 52.0454 0.0218 1 374 92 92 ASN CB C 39.6907 0.0402 1 375 92 92 ASN N N 115.5346 0.0240 1 376 92 92 ASN ND2 N 113.9835 0.0123 1 377 93 93 ILE H H 8.7013 0.0020 1 378 93 93 ILE CA C 64.0140 0.0644 1 379 93 93 ILE CB C 38.5469 0.0863 1 380 93 93 ILE N N 121.7915 0.0281 1 381 94 94 SER H H 8.5042 0.0040 1 382 94 94 SER CA C 60.8866 0.0506 1 383 94 94 SER CB C 62.8510 0.0759 1 384 94 94 SER N N 116.4085 0.0570 1 385 95 95 THR H H 7.9736 0.0022 1 386 95 95 THR CA C 61.5999 0.0422 1 387 95 95 THR CB C 69.5926 0.0347 1 388 95 95 THR N N 111.2152 0.0205 1 389 96 96 CYS H H 7.3889 0.0025 1 390 96 96 CYS CA C 56.2081 0.0475 1 391 96 96 CYS CB C 42.5878 0.0242 1 392 96 96 CYS N N 121.7941 0.0232 1 393 97 97 ARG H H 9.8750 0.0022 1 394 97 97 ARG CA C 55.2667 0.0554 1 395 97 97 ARG CB C 33.4987 0.0265 1 396 97 97 ARG N N 128.4860 0.0242 1 397 98 98 TYR H H 8.3806 0.0026 1 398 98 98 TYR CA C 56.3893 0.0058 1 399 98 98 TYR CB C 44.5362 0.0211 1 400 98 98 TYR N N 118.2704 0.1225 1 401 99 99 ALA H H 9.4774 0.0019 1 402 99 99 ALA CA C 51.0396 0.0248 1 403 99 99 ALA CB C 20.4058 0.0222 1 404 99 99 ALA N N 126.1054 0.0316 1 405 100 100 ASP H H 8.3224 0.0013 1 406 100 100 ASP CA C 54.9203 0.0270 1 407 100 100 ASP CB C 43.7398 0.0182 1 408 100 100 ASP N N 120.9119 0.0326 1 409 101 101 ARG H H 9.2314 0.0028 1 410 101 101 ARG CA C 53.3951 . 1 411 101 101 ARG CB C 31.8670 . 1 412 101 101 ARG N N 122.4886 0.0248 1 413 102 102 PRO CA C 62.6407 0.0171 1 414 102 102 PRO CB C 33.0033 0.0320 1 415 103 103 GLY H H 8.0676 0.0025 1 416 103 103 GLY CA C 45.6759 0.0103 1 417 103 103 GLY N N 105.8361 0.0234 1 418 104 104 ARG H H 8.6732 0.0030 1 419 104 104 ARG CA C 56.4760 0.0654 1 420 104 104 ARG CB C 31.5723 0.0267 1 421 104 104 ARG N N 123.3551 0.0080 1 422 105 105 ARG H H 8.1342 0.0032 1 423 105 105 ARG CA C 55.0825 0.0365 1 424 105 105 ARG CB C 37.4362 0.0408 1 425 105 105 ARG N N 122.1648 0.0937 1 426 106 106 PHE H H 8.7571 0.0018 1 427 106 106 PHE CA C 58.8178 0.0334 1 428 106 106 PHE CB C 39.6463 0.1732 1 429 106 106 PHE N N 119.2209 0.0283 1 430 107 107 TYR H H 8.5119 0.0059 1 431 107 107 TYR CA C 55.4482 . 1 432 107 107 TYR CB C 42.3029 0.0394 1 433 107 107 TYR N N 114.9277 0.1508 1 434 108 108 VAL H H 8.3604 0.0065 1 435 108 108 VAL CA C 60.5154 0.0308 1 436 108 108 VAL CB C 33.9691 0.0037 1 437 108 108 VAL N N 118.9980 0.0479 1 438 109 109 VAL H H 8.7958 0.0036 1 439 109 109 VAL CA C 57.6333 0.0197 1 440 109 109 VAL CB C 34.4675 0.0796 1 441 109 109 VAL N N 118.0195 0.0486 1 442 110 110 ALA H H 8.7285 0.0082 1 443 110 110 ALA CA C 51.0371 0.0159 1 444 110 110 ALA CB C 20.4582 0.0259 1 445 110 110 ALA N N 125.1092 0.0587 1 446 111 111 CYS H H 8.3968 0.0041 1 447 111 111 CYS CA C 55.2209 0.0185 1 448 111 111 CYS CB C 48.9600 0.0748 1 449 111 111 CYS N N 117.6933 0.0324 1 450 112 112 GLU H H 9.0238 0.0017 1 451 112 112 GLU CA C 54.6342 0.0126 1 452 112 112 GLU CB C 35.0488 0.0252 1 453 112 112 GLU N N 120.6868 0.0383 1 454 113 113 SER H H 8.6799 0.0017 1 455 113 113 SER CA C 60.1283 0.0452 1 456 113 113 SER CB C 63.4817 0.0408 1 457 113 113 SER N N 115.7921 0.0167 1 458 114 114 ARG H H 7.9915 0.0020 1 459 114 114 ARG CA C 56.3241 0.0570 1 460 114 114 ARG CB C 29.3724 0.0438 1 461 114 114 ARG N N 120.4918 0.0243 1 462 115 115 ASP H H 9.4924 0.0041 1 463 115 115 ASP CA C 52.2602 . 1 464 115 115 ASP CB C 44.5038 . 1 465 115 115 ASP N N 126.0228 0.0295 1 466 116 116 PRO CA C 65.5139 0.0062 1 467 116 116 PRO CB C 32.1602 0.0020 1 468 117 117 ARG H H 9.6310 0.0028 1 469 117 117 ARG CA C 56.7464 0.1408 1 470 117 117 ARG CB C 30.6659 0.0337 1 471 117 117 ARG N N 114.7886 0.0173 1 472 118 118 ASP H H 8.2476 0.0022 1 473 118 118 ASP CA C 55.2264 0.0550 1 474 118 118 ASP CB C 43.0004 0.0187 1 475 118 118 ASP N N 119.8235 0.1039 1 476 119 119 SER H H 8.3820 0.0023 1 477 119 119 SER CA C 56.2962 . 1 478 119 119 SER CB C 64.0200 . 1 479 119 119 SER N N 114.1225 0.0349 1 480 120 120 PRO CA C 63.5747 0.0266 1 481 120 120 PRO CB C 31.8987 0.0093 1 482 121 121 ARG H H 7.7440 0.0029 1 483 121 121 ARG CA C 58.1444 0.0211 1 484 121 121 ARG CB C 30.3978 0.0347 1 485 121 121 ARG N N 116.6240 0.0112 1 486 122 122 TYR H H 6.6858 0.0043 1 487 122 122 TYR CA C 53.3023 . 1 488 122 122 TYR CB C 38.5429 . 1 489 122 122 TYR N N 113.5740 0.0131 1 490 123 123 PRO CA C 64.9319 0.0010 1 491 123 123 PRO CB C 32.5819 0.0466 1 492 124 124 VAL H H 7.4045 0.0077 1 493 124 124 VAL CA C 60.7614 0.0160 1 494 124 124 VAL CB C 34.3368 0.0155 1 495 124 124 VAL N N 116.0707 0.0531 1 496 125 125 VAL H H 9.0831 0.0030 1 497 125 125 VAL CA C 56.5541 . 1 498 125 125 VAL CB C 34.1954 . 1 499 125 125 VAL N N 115.2868 0.0135 1 500 126 126 PRO CA C 61.3737 0.0374 1 501 126 126 PRO CB C 30.8945 0.0027 1 502 127 127 VAL H H 8.4145 0.0066 1 503 127 127 VAL CA C 60.1684 0.0565 1 504 127 127 VAL CB C 34.6264 0.0842 1 505 127 127 VAL N N 105.3713 0.0249 1 506 128 128 HIS H H 7.3989 0.0070 1 507 128 128 HIS CA C 55.9485 0.0207 1 508 128 128 HIS CB C 33.7338 0.0250 1 509 128 128 HIS N N 118.6065 0.0948 1 510 129 129 LEU H H 8.9639 0.0137 1 511 129 129 LEU CA C 53.7291 0.0522 1 512 129 129 LEU CB C 40.6833 0.0724 1 513 129 129 LEU N N 129.5390 0.1057 1 514 130 130 ASP H H 8.8009 0.0045 1 515 130 130 ASP CA C 58.0165 0.0947 1 516 130 130 ASP CB C 45.9800 0.0723 1 517 130 130 ASP N N 129.4579 0.0309 1 518 131 131 THR H H 7.4400 0.0060 1 519 131 131 THR CA C 60.6345 0.0031 1 520 131 131 THR CB C 68.6962 0.0544 1 521 131 131 THR N N 105.2137 0.0758 1 522 132 132 THR H H 8.1045 0.0043 1 523 132 132 THR CA C 60.1132 0.0531 1 524 132 132 THR CB C 71.4347 0.0807 1 525 132 132 THR N N 112.2634 0.0497 1 526 133 133 ILE H H 8.4987 0.0017 1 527 133 133 ILE CA C 64.0079 . 1 528 133 133 ILE CB C 42.5306 . 1 529 133 133 ILE N N 125.6248 0.0263 1 stop_ save_