data_30157 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; NMR structure of the E. coli protein NPr, residues 1-85 ; _BMRB_accession_number 30157 _BMRB_flat_file_name bmr30157.str _Entry_type original _Submission_date 2016-08-18 _Accession_date 2016-08-18 _Entry_origination author _NMR_STAR_version 2.1.1 _Experimental_method NMR _Details . loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Wang G. . . 2 Li X. . . 3 Peterkofsky A. . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 345 "13C chemical shifts" 312 "15N chemical shifts" 88 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2016-09-23 original BMRB . stop_ _Original_release_date 2016-09-23 save_ ############################# # Citation for this entry # ############################# save_citation_1 _Saveframe_category entry_citation _Citation_full . _Citation_title ; Solution structure of NPr, a bacterial signal-transducing protein that controls the phosphorylation state of the potassium transporter-regulating protein IIA Ntr. ; _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 18421563 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Li X. . . 2 Peterkofsky A. . . 3 Wang G. . . stop_ _Journal_abbreviation 'Amino Acids' _Journal_volume 35 _Journal_issue 3 _Journal_ISSN 1438-2199 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 531 _Page_last 539 _Year 2008 _Details . save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name 'Phosphocarrier protein NPr (E.C.2.7.11.-)' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label entity_1 $entity_1 stop_ _System_molecular_weight . _System_oligomer_state ? _System_paramagnetic no _System_thiol_state . _Database_query_date . _Details . save_ ######################## # Monomeric polymers # ######################## save_entity_1 _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common entity_1 _Molecular_mass 9254.570 _Mol_thiol_state 'not present' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 85 _Mol_residue_sequence ; MTVKQTVEITNKLGMHARPA MKLFELMQGFDAEVLLRNDE GTEAEANSVIALLMLDSAKG RQIEVEATGPQEEEALAAVI ALFNS ; loop_ _Residue_seq_code _Residue_label 1 MET 2 THR 3 VAL 4 LYS 5 GLN 6 THR 7 VAL 8 GLU 9 ILE 10 THR 11 ASN 12 LYS 13 LEU 14 GLY 15 MET 16 HIS 17 ALA 18 ARG 19 PRO 20 ALA 21 MET 22 LYS 23 LEU 24 PHE 25 GLU 26 LEU 27 MET 28 GLN 29 GLY 30 PHE 31 ASP 32 ALA 33 GLU 34 VAL 35 LEU 36 LEU 37 ARG 38 ASN 39 ASP 40 GLU 41 GLY 42 THR 43 GLU 44 ALA 45 GLU 46 ALA 47 ASN 48 SER 49 VAL 50 ILE 51 ALA 52 LEU 53 LEU 54 MET 55 LEU 56 ASP 57 SER 58 ALA 59 LYS 60 GLY 61 ARG 62 GLN 63 ILE 64 GLU 65 VAL 66 GLU 67 ALA 68 THR 69 GLY 70 PRO 71 GLN 72 GLU 73 GLU 74 GLU 75 ALA 76 LEU 77 ALA 78 ALA 79 VAL 80 ILE 81 ALA 82 LEU 83 PHE 84 ASN 85 SER stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date . 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 $entity_1 'E. coli' 83334 Bacteria . Escherichia coli 'ptsO, Z4569, ECs4085' stop_ save_ ######################### # Experimental source # ######################### save_experimental_source _Saveframe_category experimental_source loop_ _Mol_label _Production_method _Host_organism_name_common _Genus _Species _Strain _Vector_type _Vector_name $entity_1 'recombinant technology' . Escherichia coli ER2566 Plasmid pETDuet1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Saveframe_category sample _Sample_type solution _Details '1 mM [U-13C; U-15N] NPr, 25 mM Tris, 93% H2O/7% D2O' loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $entity_1 1 mM '[U-13C; U-15N]' Tris 25 mM 'natural abundance' stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Saveframe_category software _Name NMRPipe _Version . loop_ _Vendor _Address _Electronic_address 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . stop_ loop_ _Task processing stop_ _Details . save_ save_software_2 _Saveframe_category software _Name PIPP _Version . loop_ _Vendor _Address _Electronic_address Garrett . . stop_ loop_ _Task 'chemical shift assignment' 'peak picking' stop_ _Details . save_ save_software_3 _Saveframe_category software _Name TALOS _Version . loop_ _Vendor _Address _Electronic_address 'Cornilescu, Delaglio and Bax' . . stop_ loop_ _Task 'data analysis' stop_ _Details . save_ save_software_4 _Saveframe_category software _Name VNMR _Version . loop_ _Vendor _Address _Electronic_address Varian . . stop_ loop_ _Task collection stop_ _Details . save_ save_software_5 _Saveframe_category software _Name 'X-PLOR NIH' _Version . loop_ _Vendor _Address _Electronic_address 'Schwieters, Kuszewski, Tjandra and Clore' . . stop_ loop_ _Task refinement stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Varian _Model INOVA _Field_strength 600 _Details . save_ ############################# # NMR applied experiments # ############################# save_3D_1H-15N_NOESY_1 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-15N NOESY' _Sample_label $sample_1 save_ save_3D_1H-13C_NOESY_2 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-13C NOESY' _Sample_label $sample_1 save_ save_4D_HNHC_NOESY_3 _Saveframe_category NMR_applied_experiment _Experiment_name '4D HNHC NOESY' _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_CBCA(CO)NH_5 _Saveframe_category NMR_applied_experiment _Experiment_name '3D CBCA(CO)NH' _Sample_label $sample_1 save_ save_3D_HNCA_6 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCA' _Sample_label $sample_1 save_ save_3D_C(CO)NH_7 _Saveframe_category NMR_applied_experiment _Experiment_name '3D C(CO)NH' _Sample_label $sample_1 save_ save_3D_H(CCO)NH_8 _Saveframe_category NMR_applied_experiment _Experiment_name '3D H(CCO)NH' _Sample_label $sample_1 save_ save_3D_HNHA_9 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNHA' _Sample_label $sample_1 save_ save_3D_HBHA(CO)NH_10 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HBHA(CO)NH' _Sample_label $sample_1 save_ save_3D_HCCH-TOCSY_11 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HCCH-TOCSY' _Sample_label $sample_1 save_ save_3D_HCCH-COSY_12 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HCCH-COSY' _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' 25 . mM pH 7 . pH pressure 1 . atm temperature 308 . K stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chem_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 0.000 internal indirect . . . 0.25144953 DSS H 1 'methyl protons' ppm 0.000 internal direct . . . 1.0 DSS N 15 'methyl protons' ppm 0.000 internal indirect . . . 0.10132912 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_chemical_shifts_1 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Experiment_label '3D 1H-15N NOESY' '3D 1H-13C NOESY' '4D HNHC NOESY' '3D HNCACB' '3D CBCA(CO)NH' '3D HNCA' '3D C(CO)NH' '3D H(CCO)NH' '3D HNHA' '3D HBHA(CO)NH' '3D HCCH-TOCSY' '3D HCCH-COSY' stop_ loop_ _Sample_label $sample_1 stop_ _Sample_conditions_label $sample_conditions_1 _Chem_shift_reference_set_label $chem_shift_reference_1 _Mol_system_component_name entity_1 _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 THR HA H 4.4981 . . 2 2 2 THR HB H 3.7836 . . 3 2 2 THR C C 170.8020 . . 4 2 2 THR CA C 62.6020 . . 5 2 2 THR CB C 69.9524 . . 6 2 2 THR CG2 C 21.4792 . . 7 3 3 VAL H H 8.9703 . . 8 3 3 VAL HA H 4.7191 . . 9 3 3 VAL HB H 2.1273 . . 10 3 3 VAL C C 173.1300 . . 11 3 3 VAL CA C 59.7777 . . 12 3 3 VAL CB C 35.1278 . . 13 3 3 VAL CG1 C 22.3947 . . 14 3 3 VAL CG2 C 20.4782 . . 15 3 3 VAL N N 122.9099 . . 16 4 4 LYS H H 8.2925 . . 17 4 4 LYS HA H 5.7270 . . 18 4 4 LYS HB2 H 1.6077 . . 19 4 4 LYS HG2 H 1.2310 . . 20 4 4 LYS HG3 H 1.2310 . . 21 4 4 LYS C C 175.5660 . . 22 4 4 LYS CA C 54.7109 . . 23 4 4 LYS CB C 37.0986 . . 24 4 4 LYS CG C 23.9596 . . 25 4 4 LYS CD C 35.7851 . . 26 4 4 LYS N N 119.5260 . . 27 5 5 GLN H H 8.8408 . . 28 5 5 GLN HA H 4.5128 . . 29 5 5 GLN HB2 H 1.7520 . . 30 5 5 GLN HB3 H 2.1010 . . 31 5 5 GLN HG2 H 2.4100 . . 32 5 5 GLN HG3 H 2.4100 . . 33 5 5 GLN HE21 H 7.5860 . . 34 5 5 GLN HE22 H 6.7890 . . 35 5 5 GLN C C 173.9740 . . 36 5 5 GLN CA C 56.0746 . . 37 5 5 GLN CB C 33.9650 . . 38 5 5 GLN CG C 34.1229 . . 39 5 5 GLN N N 121.1022 . . 40 5 5 GLN NE2 N 111.1310 . . 41 6 6 THR H H 8.5298 . . 42 6 6 THR HA H 5.1139 . . 43 6 6 THR HB H 3.9461 . . 44 6 6 THR HG2 H 1.0800 . . 45 6 6 THR C C 174.1390 . . 46 6 6 THR CA C 62.1039 . . 47 6 6 THR CB C 69.9581 . . 48 6 6 THR CG2 C 22.0828 . . 49 6 6 THR N N 119.8864 . . 50 7 7 VAL H H 9.1488 . . 51 7 7 VAL HA H 4.4920 . . 52 7 7 VAL HB H 1.9142 . . 53 7 7 VAL HG1 H 0.7790 . . 54 7 7 VAL HG2 H 0.7790 . . 55 7 7 VAL C C 173.3050 . . 56 7 7 VAL CA C 60.0329 . . 57 7 7 VAL CB C 35.3614 . . 58 7 7 VAL CG1 C 20.9855 . . 59 7 7 VAL CG2 C 20.9855 . . 60 7 7 VAL N N 123.7901 . . 61 8 8 GLU H H 8.3788 . . 62 8 8 GLU HA H 4.5680 . . 63 8 8 GLU HB2 H 1.9320 . . 64 8 8 GLU HB3 H 1.9320 . . 65 8 8 GLU C C 175.9020 . . 66 8 8 GLU CA C 55.5632 . . 67 8 8 GLU CB C 30.8907 . . 68 8 8 GLU CG C 36.5510 . . 69 8 8 GLU N N 124.9014 . . 70 9 9 ILE H H 8.4600 . . 71 9 9 ILE HA H 4.2610 . . 72 9 9 ILE HB H 2.0991 . . 73 9 9 ILE HG12 H 1.1880 . . 74 9 9 ILE HG13 H 1.1880 . . 75 9 9 ILE HG2 H 0.8330 . . 76 9 9 ILE HD1 H 0.6400 . . 77 9 9 ILE C C 176.4490 . . 78 9 9 ILE CA C 59.8812 . . 79 9 9 ILE CB C 36.1530 . . 80 9 9 ILE CG1 C 26.8536 . . 81 9 9 ILE CG2 C 17.7576 . . 82 9 9 ILE CD1 C 11.2058 . . 83 9 9 ILE N N 125.2729 . . 84 10 10 THR H H 8.2292 . . 85 10 10 THR HA H 4.4942 . . 86 10 10 THR HB H 4.3410 . . 87 10 10 THR HG2 H 1.2420 . . 88 10 10 THR CA C 61.6174 . . 89 10 10 THR CB C 70.4432 . . 90 10 10 THR CG2 C 21.4765 . . 91 10 10 THR N N 119.2384 . . 92 11 11 ASN H H 8.5197 . . 93 11 11 ASN HA H 4.7311 . . 94 11 11 ASN HB2 H 2.8416 . . 95 11 11 ASN HB3 H 2.8416 . . 96 11 11 ASN HD21 H 7.5660 . . 97 11 11 ASN HD22 H 6.8670 . . 98 11 11 ASN C C 175.4560 . . 99 11 11 ASN CA C 53.4333 . . 100 11 11 ASN CB C 38.7984 . . 101 11 11 ASN N N 119.8662 . . 102 11 11 ASN ND2 N 111.5285 . . 103 12 12 LYS H H 8.2582 . . 104 12 12 LYS HA H 4.2636 . . 105 12 12 LYS HB2 H 1.7817 . . 106 12 12 LYS HB3 H 1.7817 . . 107 12 12 LYS C C 176.7670 . . 108 12 12 LYS CA C 57.0272 . . 109 12 12 LYS CB C 32.9601 . . 110 12 12 LYS CG C 24.8665 . . 111 12 12 LYS CD C 28.9541 . . 112 12 12 LYS CE C 42.4435 . . 113 12 12 LYS N N 121.1008 . . 114 13 13 LEU H H 8.0932 . . 115 13 13 LEU HA H 4.3012 . . 116 13 13 LEU HB2 H 1.6250 . . 117 13 13 LEU HB3 H 1.6250 . . 118 13 13 LEU HD1 H 0.9150 . . 119 13 13 LEU HD2 H 0.9150 . . 120 13 13 LEU C C 177.6700 . . 121 13 13 LEU CA C 55.7251 . . 122 13 13 LEU CB C 42.2979 . . 123 13 13 LEU CD1 C 25.0522 . . 124 13 13 LEU CD2 C 23.8298 . . 125 13 13 LEU N N 121.5541 . . 126 14 14 GLY H H 8.2160 . . 127 14 14 GLY HA2 H 4.6780 . . 128 14 14 GLY HA3 H 3.9510 . . 129 14 14 GLY C C 174.5510 . . 130 14 14 GLY CA C 45.5943 . . 131 14 14 GLY N N 108.2917 . . 132 15 15 MET H H 8.0271 . . 133 15 15 MET CA C 56.2086 . . 134 15 15 MET CB C 30.3812 . . 135 15 15 MET CG C 30.1783 . . 136 15 15 MET N N 120.8765 . . 137 16 16 HIS H H 7.6220 . . 138 16 16 HIS C C 175.0350 . . 139 16 16 HIS CA C 56.3382 . . 140 16 16 HIS CB C 30.5400 . . 141 16 16 HIS N N 122.7142 . . 142 17 17 ALA H H 7.8948 . . 143 17 17 ALA HB H 1.3590 . . 144 17 17 ALA C C 177.2220 . . 145 17 17 ALA CA C 52.7836 . . 146 17 17 ALA CB C 19.4618 . . 147 17 17 ALA N N 123.3472 . . 148 18 18 ARG H H 8.2910 . . 149 18 18 ARG N N 119.1488 . . 150 19 19 PRO C C 177.3200 . . 151 19 19 PRO CA C 64.5695 . . 152 19 19 PRO CB C 31.7476 . . 153 20 20 ALA H H 8.3287 . . 154 20 20 ALA HB H 1.3790 . . 155 20 20 ALA C C 178.4810 . . 156 20 20 ALA CA C 54.5476 . . 157 20 20 ALA CB C 19.0466 . . 158 20 20 ALA N N 120.5885 . . 159 21 21 MET H H 7.9181 . . 160 21 21 MET HA H 4.3110 . . 161 21 21 MET HB2 H 2.1220 . . 162 21 21 MET HB3 H 2.1220 . . 163 21 21 MET HG2 H 2.5480 . . 164 21 21 MET HG3 H 2.6810 . . 165 21 21 MET C C 177.6230 . . 166 21 21 MET CA C 57.0202 . . 167 21 21 MET CB C 32.4492 . . 168 21 21 MET N N 115.3113 . . 169 22 22 LYS H H 7.8781 . . 170 22 22 LYS HA H 4.3192 . . 171 22 22 LYS C C 177.8520 . . 172 22 22 LYS CA C 56.9801 . . 173 22 22 LYS CB C 32.3837 . . 174 22 22 LYS CG C 24.7204 . . 175 22 22 LYS CD C 28.4655 . . 176 22 22 LYS N N 119.3446 . . 177 23 23 LEU H H 7.8868 . . 178 23 23 LEU HA H 3.9044 . . 179 23 23 LEU HB2 H 1.5370 . . 180 23 23 LEU HB3 H 1.7410 . . 181 23 23 LEU HD1 H 0.8190 . . 182 23 23 LEU HD2 H 0.8190 . . 183 23 23 LEU C C 177.5650 . . 184 23 23 LEU CA C 58.5307 . . 185 23 23 LEU CB C 41.9971 . . 186 23 23 LEU CD1 C 25.9391 . . 187 23 23 LEU CD2 C 24.3882 . . 188 23 23 LEU N N 120.8266 . . 189 24 24 PHE H H 8.0444 . . 190 24 24 PHE HA H 4.2684 . . 191 24 24 PHE HB2 H 3.2220 . . 192 24 24 PHE HB3 H 3.2220 . . 193 24 24 PHE C C 178.0770 . . 194 24 24 PHE CA C 60.4983 . . 195 24 24 PHE CB C 38.2213 . . 196 24 24 PHE N N 117.3373 . . 197 25 25 GLU H H 8.0450 . . 198 25 25 GLU HA H 3.9339 . . 199 25 25 GLU HB2 H 2.1120 . . 200 25 25 GLU HB3 H 2.1120 . . 201 25 25 GLU HG2 H 2.2940 . . 202 25 25 GLU HG3 H 2.2940 . . 203 25 25 GLU C C 179.2650 . . 204 25 25 GLU CA C 59.2228 . . 205 25 25 GLU CB C 29.8291 . . 206 25 25 GLU CG C 36.8488 . . 207 25 25 GLU N N 118.9447 . . 208 26 26 LEU H H 8.0273 . . 209 26 26 LEU HA H 4.1084 . . 210 26 26 LEU HB2 H 1.5900 . . 211 26 26 LEU HB3 H 1.7980 . . 212 26 26 LEU HD1 H 0.9160 . . 213 26 26 LEU HD2 H 0.9160 . . 214 26 26 LEU C C 179.6860 . . 215 26 26 LEU CA C 57.6762 . . 216 26 26 LEU CB C 42.8469 . . 217 26 26 LEU CD2 C 25.3686 . . 218 26 26 LEU N N 120.6436 . . 219 27 27 MET H H 8.0317 . . 220 27 27 MET HA H 4.4835 . . 221 27 27 MET HB2 H 2.1700 . . 222 27 27 MET HB3 H 2.1700 . . 223 27 27 MET HG2 H 2.5760 . . 224 27 27 MET HG3 H 2.5760 . . 225 27 27 MET C C 178.1860 . . 226 27 27 MET CA C 56.7485 . . 227 27 27 MET CB C 31.8844 . . 228 27 27 MET CG C 32.1651 . . 229 27 27 MET N N 114.9596 . . 230 28 28 GLN H H 7.4384 . . 231 28 28 GLN HA H 4.2167 . . 232 28 28 GLN HB2 H 2.0510 . . 233 28 28 GLN HB3 H 2.0510 . . 234 28 28 GLN HG2 H 2.3520 . . 235 28 28 GLN HG3 H 2.3520 . . 236 28 28 GLN HE21 H 7.1210 . . 237 28 28 GLN HE22 H 6.7320 . . 238 28 28 GLN C C 176.8890 . . 239 28 28 GLN CA C 57.2849 . . 240 28 28 GLN CB C 28.6870 . . 241 28 28 GLN CG C 34.0850 . . 242 28 28 GLN N N 116.7112 . . 243 28 28 GLN NE2 N 111.6595 . . 244 29 29 GLY H H 7.5727 . . 245 29 29 GLY HA2 H 4.0244 . . 246 29 29 GLY HA3 H 3.4250 . . 247 29 29 GLY C C 173.1210 . . 248 29 29 GLY CA C 45.1331 . . 249 29 29 GLY N N 104.4387 . . 250 30 30 PHE H H 7.4452 . . 251 30 30 PHE HA H 4.9115 . . 252 30 30 PHE HB2 H 2.7270 . . 253 30 30 PHE HB3 H 2.7270 . . 254 30 30 PHE C C 174.8000 . . 255 30 30 PHE CA C 56.5768 . . 256 30 30 PHE CB C 43.1785 . . 257 30 30 PHE N N 116.1865 . . 258 31 31 ASP H H 9.2212 . . 259 31 31 ASP HA H 4.8246 . . 260 31 31 ASP HB2 H 2.4640 . . 261 31 31 ASP HB3 H 2.8390 . . 262 31 31 ASP C C 174.1940 . . 263 31 31 ASP CA C 52.1726 . . 264 31 31 ASP CB C 38.5959 . . 265 31 31 ASP N N 122.8482 . . 266 32 32 ALA H H 7.6706 . . 267 32 32 ALA HA H 4.5518 . . 268 32 32 ALA HB H 0.7940 . . 269 32 32 ALA C C 174.8960 . . 270 32 32 ALA CA C 51.9568 . . 271 32 32 ALA CB C 20.2974 . . 272 32 32 ALA N N 121.6880 . . 273 33 33 GLU H H 8.6277 . . 274 33 33 GLU HA H 4.6914 . . 275 33 33 GLU HB2 H 1.9790 . . 276 33 33 GLU HB3 H 2.1430 . . 277 33 33 GLU HG2 H 2.2950 . . 278 33 33 GLU HG3 H 2.2950 . . 279 33 33 GLU C C 175.9470 . . 280 33 33 GLU CA C 55.3658 . . 281 33 33 GLU CB C 32.0983 . . 282 33 33 GLU N N 120.9597 . . 283 34 34 VAL H H 8.7117 . . 284 34 34 VAL HA H 5.1070 . . 285 34 34 VAL HB H 1.9179 . . 286 34 34 VAL HG1 H 0.7690 . . 287 34 34 VAL HG2 H 0.7690 . . 288 34 34 VAL C C 173.9150 . . 289 34 34 VAL CA C 61.0242 . . 290 34 34 VAL CB C 33.9656 . . 291 34 34 VAL CG1 C 21.6764 . . 292 34 34 VAL CG2 C 21.6764 . . 293 34 34 VAL N N 125.7192 . . 294 35 35 LEU H H 9.4206 . . 295 35 35 LEU HA H 4.9271 . . 296 35 35 LEU HB2 H 1.5130 . . 297 35 35 LEU HB3 H 1.5130 . . 298 35 35 LEU C C 174.5220 . . 299 35 35 LEU CA C 53.5092 . . 300 35 35 LEU CB C 46.1459 . . 301 35 35 LEU CD1 C 24.9838 . . 302 35 35 LEU CD2 C 24.9838 . . 303 35 35 LEU N N 129.3410 . . 304 36 36 LEU H H 8.7921 . . 305 36 36 LEU HA H 5.3388 . . 306 36 36 LEU HB2 H 1.3440 . . 307 36 36 LEU HB3 H 1.7620 . . 308 36 36 LEU HD1 H 0.9160 . . 309 36 36 LEU HD2 H 0.6820 . . 310 36 36 LEU C C 175.8450 . . 311 36 36 LEU CA C 53.1732 . . 312 36 36 LEU CB C 44.5680 . . 313 36 36 LEU CG C 28.3238 . . 314 36 36 LEU CD1 C 25.9599 . . 315 36 36 LEU CD2 C 25.1060 . . 316 36 36 LEU N N 120.5669 . . 317 37 37 ARG H H 9.0474 . . 318 37 37 ARG HA H 5.4260 . . 319 37 37 ARG HB2 H 1.5810 . . 320 37 37 ARG HG2 H 1.3520 . . 321 37 37 ARG HG3 H 1.6920 . . 322 37 37 ARG HD2 H 3.2050 . . 323 37 37 ARG HD3 H 3.2050 . . 324 37 37 ARG C C 175.8390 . . 325 37 37 ARG CA C 54.4537 . . 326 37 37 ARG CB C 34.3680 . . 327 37 37 ARG CG C 28.3577 . . 328 37 37 ARG CD C 43.2600 . . 329 37 37 ARG N N 120.9329 . . 330 38 38 ASN H H 8.2780 . . 331 38 38 ASN HA H 5.1258 . . 332 38 38 ASN HB2 H 2.8490 . . 333 38 38 ASN HB3 H 3.5980 . . 334 38 38 ASN HD21 H 7.5330 . . 335 38 38 ASN HD22 H 7.1990 . . 336 38 38 ASN C C 176.7060 . . 337 38 38 ASN CA C 50.9067 . . 338 38 38 ASN CB C 39.5969 . . 339 38 38 ASN N N 121.8791 . . 340 38 38 ASN ND2 N 109.8655 . . 341 39 39 ASP H H 8.7647 . . 342 39 39 ASP HA H 4.3778 . . 343 39 39 ASP HB2 H 2.7190 . . 344 39 39 ASP HB3 H 2.8970 . . 345 39 39 ASP C C 177.1450 . . 346 39 39 ASP CA C 55.8642 . . 347 39 39 ASP CB C 40.1698 . . 348 39 39 ASP N N 117.9439 . . 349 40 40 GLU H H 7.5840 . . 350 40 40 GLU HA H 4.3872 . . 351 40 40 GLU HB2 H 2.0120 . . 352 40 40 GLU HB3 H 2.2350 . . 353 40 40 GLU C C 176.9550 . . 354 40 40 GLU CA C 56.0900 . . 355 40 40 GLU CB C 32.6181 . . 356 40 40 GLU CG C 36.7605 . . 357 40 40 GLU N N 117.8384 . . 358 41 41 GLY H H 8.1039 . . 359 41 41 GLY HA2 H 4.2767 . . 360 41 41 GLY HA3 H 3.6109 . . 361 41 41 GLY C C 174.2420 . . 362 41 41 GLY CA C 45.1911 . . 363 41 41 GLY N N 107.7380 . . 364 42 42 THR H H 7.9211 . . 365 42 42 THR HA H 4.1367 . . 366 42 42 THR HB H 3.9130 . . 367 42 42 THR HG2 H 1.1590 . . 368 42 42 THR C C 172.7560 . . 369 42 42 THR CA C 63.2892 . . 370 42 42 THR CB C 68.7030 . . 371 42 42 THR CG2 C 22.4805 . . 372 42 42 THR N N 119.7599 . . 373 43 43 GLU H H 8.4059 . . 374 43 43 GLU HA H 5.2758 . . 375 43 43 GLU HB2 H 1.9010 . . 376 43 43 GLU HB3 H 1.9010 . . 377 43 43 GLU HG2 H 2.2680 . . 378 43 43 GLU HG3 H 2.2650 . . 379 43 43 GLU C C 175.5630 . . 380 43 43 GLU CA C 54.6297 . . 381 43 43 GLU CB C 32.8533 . . 382 43 43 GLU CG C 36.7096 . . 383 43 43 GLU N N 125.0171 . . 384 44 44 ALA H H 8.9812 . . 385 44 44 ALA HA H 4.6334 . . 386 44 44 ALA HB H 1.2350 . . 387 44 44 ALA C C 175.8440 . . 388 44 44 ALA CA C 51.2073 . . 389 44 44 ALA CB C 22.5412 . . 390 44 44 ALA N N 124.2489 . . 391 45 45 GLU H H 8.7641 . . 392 45 45 GLU HA H 4.5420 . . 393 45 45 GLU HB2 H 2.2340 . . 394 45 45 GLU HB3 H 2.0280 . . 395 45 45 GLU HG2 H 2.4260 . . 396 45 45 GLU HG3 H 2.4260 . . 397 45 45 GLU C C 178.2580 . . 398 45 45 GLU CA C 56.7603 . . 399 45 45 GLU CB C 30.0386 . . 400 45 45 GLU CG C 36.3340 . . 401 45 45 GLU N N 121.9802 . . 402 46 46 ALA H H 8.7108 . . 403 46 46 ALA HA H 3.9110 . . 404 46 46 ALA HB H 1.3610 . . 405 46 46 ALA CA C 54.9370 . . 406 46 46 ALA CB C 18.7527 . . 407 46 46 ALA N N 124.4078 . . 408 47 47 ASN HD21 H 7.5890 . . 409 47 47 ASN HD22 H 6.7850 . . 410 47 47 ASN C C 175.2680 . . 411 47 47 ASN CA C 52.9589 . . 412 47 47 ASN CB C 37.7806 . . 413 47 47 ASN ND2 N 110.8330 . . 414 48 48 SER H H 7.8160 . . 415 48 48 SER HA H 4.7103 . . 416 48 48 SER HB2 H 4.1150 . . 417 48 48 SER HB3 H 4.1150 . . 418 48 48 SER C C 175.6800 . . 419 48 48 SER CA C 57.6643 . . 420 48 48 SER CB C 65.6476 . . 421 48 48 SER N N 114.4154 . . 422 49 49 VAL H H 8.5863 . . 423 49 49 VAL C C 177.6885 . . 424 49 49 VAL CA C 65.6579 . . 425 49 49 VAL CB C 31.6661 . . 426 49 49 VAL CG1 C 21.3162 . . 427 49 49 VAL CG2 C 21.3162 . . 428 49 49 VAL N N 122.7974 . . 429 50 50 ILE H H 7.7670 . . 430 50 50 ILE HA H 3.7884 . . 431 50 50 ILE HB H 1.8840 . . 432 50 50 ILE HG12 H 1.3200 . . 433 50 50 ILE HG13 H 1.3200 . . 434 50 50 ILE HG2 H 0.9200 . . 435 50 50 ILE HD1 H 0.7040 . . 436 50 50 ILE C C 177.8940 . . 437 50 50 ILE CA C 63.6084 . . 438 50 50 ILE CB C 37.2210 . . 439 50 50 ILE CG1 C 28.4914 . . 440 50 50 ILE CG2 C 17.8413 . . 441 50 50 ILE CD1 C 11.9009 . . 442 50 50 ILE N N 118.6860 . . 443 51 51 ALA H H 7.6619 . . 444 51 51 ALA HA H 3.9300 . . 445 51 51 ALA HB H 1.5450 . . 446 51 51 ALA C C 179.2550 . . 447 51 51 ALA CA C 55.3147 . . 448 51 51 ALA CB C 18.8394 . . 449 51 51 ALA N N 122.3972 . . 450 52 52 LEU H H 7.3568 . . 451 52 52 LEU HA H 3.9678 . . 452 52 52 LEU HB2 H 1.6280 . . 453 52 52 LEU HB3 H 1.9370 . . 454 52 52 LEU C C 179.4500 . . 455 52 52 LEU CA C 57.7899 . . 456 52 52 LEU CB C 41.3703 . . 457 52 52 LEU CD1 C 25.2914 . . 458 52 52 LEU CD2 C 23.4875 . . 459 52 52 LEU N N 115.9025 . . 460 53 53 LEU H H 7.6450 . . 461 53 53 LEU HA H 4.1159 . . 462 53 53 LEU HB2 H 1.6260 . . 463 53 53 LEU HB3 H 1.8470 . . 464 53 53 LEU C C 179.5600 . . 465 53 53 LEU CA C 57.6114 . . 466 53 53 LEU CB C 42.0495 . . 467 53 53 LEU N N 118.8754 . . 468 54 54 MET H H 7.9188 . . 469 54 54 MET HA H 4.4900 . . 470 54 54 MET C C 178.2950 . . 471 54 54 MET CA C 58.2835 . . 472 54 54 MET CB C 33.1842 . . 473 54 54 MET CG C 31.8471 . . 474 54 54 MET N N 115.0536 . . 475 55 55 LEU H H 7.8536 . . 476 55 55 LEU HA H 4.0059 . . 477 55 55 LEU HB2 H 1.8150 . . 478 55 55 LEU HB3 H 1.8150 . . 479 55 55 LEU HG H 1.4530 . . 480 55 55 LEU CB C 41.9364 . . 481 55 55 LEU N N 119.0956 . . 482 56 56 ASP H H 7.8601 . . 483 56 56 ASP HA H 4.4960 . . 484 56 56 ASP HB2 H 2.7120 . . 485 56 56 ASP C C 177.6290 . . 486 56 56 ASP CA C 56.3530 . . 487 56 56 ASP CB C 41.5692 . . 488 56 56 ASP N N 119.2282 . . 489 57 57 SER H H 7.7371 . . 490 57 57 SER HA H 4.4580 . . 491 57 57 SER HB2 H 3.9400 . . 492 57 57 SER HB3 H 3.9400 . . 493 57 57 SER C C 174.5230 . . 494 57 57 SER CA C 59.0452 . . 495 57 57 SER CB C 63.8639 . . 496 57 57 SER N N 113.0061 . . 497 58 58 ALA H H 7.7263 . . 498 58 58 ALA HA H 4.3150 . . 499 58 58 ALA HB H 1.4090 . . 500 58 58 ALA C C 176.3680 . . 501 58 58 ALA CA C 52.5466 . . 502 58 58 ALA CB C 19.4440 . . 503 58 58 ALA N N 124.0284 . . 504 59 59 LYS H H 7.5739 . . 505 59 59 LYS HA H 3.9990 . . 506 59 59 LYS HB2 H 1.7980 . . 507 59 59 LYS HB3 H 1.7980 . . 508 59 59 LYS C C 177.5350 . . 509 59 59 LYS CA C 57.8989 . . 510 59 59 LYS CB C 32.5073 . . 511 59 59 LYS CG C 24.6917 . . 512 59 59 LYS CD C 29.2026 . . 513 59 59 LYS CE C 42.3002 . . 514 59 59 LYS N N 118.1635 . . 515 60 60 GLY H H 8.5948 . . 516 60 60 GLY HA2 H 4.1320 . . 517 60 60 GLY HA3 H 3.9190 . . 518 60 60 GLY C C 173.8390 . . 519 60 60 GLY CA C 45.5503 . . 520 60 60 GLY N N 111.8953 . . 521 61 61 ARG H H 8.4372 . . 522 61 61 ARG HA H 4.5878 . . 523 61 61 ARG HB2 H 1.7830 . . 524 61 61 ARG HB3 H 2.0030 . . 525 61 61 ARG HG2 H 1.5980 . . 526 61 61 ARG HG3 H 1.5980 . . 527 61 61 ARG HD2 H 3.2080 . . 528 61 61 ARG HD3 H 3.2080 . . 529 61 61 ARG C C 174.6900 . . 530 61 61 ARG CA C 55.1289 . . 531 61 61 ARG CB C 31.8877 . . 532 61 61 ARG CG C 27.0526 . . 533 61 61 ARG CD C 43.4826 . . 534 61 61 ARG N N 120.0982 . . 535 62 62 GLN H H 8.1686 . . 536 62 62 GLN HA H 5.0948 . . 537 62 62 GLN HB2 H 1.8950 . . 538 62 62 GLN HB3 H 1.8950 . . 539 62 62 GLN HG2 H 2.0950 . . 540 62 62 GLN HG3 H 2.2840 . . 541 62 62 GLN HE21 H 7.5910 . . 542 62 62 GLN HE22 H 6.6810 . . 543 62 62 GLN C C 175.6095 . . 544 62 62 GLN CA C 54.9303 . . 545 62 62 GLN CB C 31.2250 . . 546 62 62 GLN CG C 34.0408 . . 547 62 62 GLN N N 117.5037 . . 548 62 62 GLN NE2 N 110.9460 . . 549 63 63 ILE H H 8.7948 . . 550 63 63 ILE HA H 4.6235 . . 551 63 63 ILE HB H 1.6210 . . 552 63 63 ILE HG12 H 1.0600 . . 553 63 63 ILE HG2 H 0.6880 . . 554 63 63 ILE C C 173.4190 . . 555 63 63 ILE CA C 58.6036 . . 556 63 63 ILE CB C 41.6904 . . 557 63 63 ILE CG1 C 27.2102 . . 558 63 63 ILE CG2 C 17.7944 . . 559 63 63 ILE CD1 C 12.9591 . . 560 63 63 ILE N N 121.2626 . . 561 64 64 GLU H H 8.8621 . . 562 64 64 GLU HA H 4.8106 . . 563 64 64 GLU HG2 H 1.8610 . . 564 64 64 GLU HG3 H 1.9960 . . 565 64 64 GLU C C 174.0990 . . 566 64 64 GLU CA C 55.4186 . . 567 64 64 GLU CB C 32.4232 . . 568 64 64 GLU CG C 37.4236 . . 569 64 64 GLU N N 125.0646 . . 570 65 65 VAL H H 8.7343 . . 571 65 65 VAL HA H 4.6895 . . 572 65 65 VAL C C 173.7680 . . 573 65 65 VAL CA C 60.7498 . . 574 65 65 VAL CB C 33.0129 . . 575 65 65 VAL CG1 C 22.0790 . . 576 65 65 VAL CG2 C 21.2935 . . 577 65 65 VAL N N 125.7867 . . 578 66 66 GLU H H 9.0018 . . 579 66 66 GLU HA H 5.2677 . . 580 66 66 GLU HB2 H 1.7835 . . 581 66 66 GLU HB3 H 1.7835 . . 582 66 66 GLU HG2 H 1.9400 . . 583 66 66 GLU HG3 H 1.9400 . . 584 66 66 GLU C C 174.0330 . . 585 66 66 GLU CA C 54.0957 . . 586 66 66 GLU CB C 34.0290 . . 587 66 66 GLU CG C 37.0024 . . 588 66 66 GLU N N 126.5888 . . 589 67 67 ALA H H 9.1944 . . 590 67 67 ALA HA H 5.7278 . . 591 67 67 ALA HB H 1.1620 . . 592 67 67 ALA C C 175.6990 . . 593 67 67 ALA CA C 50.1409 . . 594 67 67 ALA CB C 24.2710 . . 595 67 67 ALA N N 127.4173 . . 596 68 68 THR H H 8.6601 . . 597 68 68 THR HA H 5.2649 . . 598 68 68 THR HB H 3.9310 . . 599 68 68 THR HG2 H 1.2370 . . 600 68 68 THR C C 174.2680 . . 601 68 68 THR CA C 61.3926 . . 602 68 68 THR CB C 72.1991 . . 603 68 68 THR CG2 C 21.6482 . . 604 68 68 THR N N 116.1798 . . 605 69 69 GLY H H 10.1069 . . 606 69 69 GLY HA2 H 4.0780 . . 607 69 69 GLY HA3 H 4.8314 . . 608 69 69 GLY CA C 45.0408 . . 609 69 69 GLY N N 119.1774 . . 610 70 70 PRO C C 178.7990 . . 611 70 70 PRO CA C 65.9474 . . 612 70 70 PRO CB C 33.0491 . . 613 70 70 PRO CG C 27.9666 . . 614 71 71 GLN H H 8.1833 . . 615 71 71 GLN HA H 5.0903 . . 616 71 71 GLN HB2 H 1.6970 . . 617 71 71 GLN HB3 H 1.6970 . . 618 71 71 GLN HG2 H 2.4480 . . 619 71 71 GLN HG3 H 2.4480 . . 620 71 71 GLN HE21 H 7.8100 . . 621 71 71 GLN HE22 H 7.0660 . . 622 71 71 GLN C C 175.9080 . . 623 71 71 GLN CA C 54.2973 . . 624 71 71 GLN CB C 29.0351 . . 625 71 71 GLN CG C 35.3886 . . 626 71 71 GLN N N 112.2195 . . 627 71 71 GLN NE2 N 112.3675 . . 628 72 72 GLU H H 7.7897 . . 629 72 72 GLU HA H 3.5240 . . 630 72 72 GLU C C 176.0560 . . 631 72 72 GLU CA C 59.7613 . . 632 72 72 GLU CB C 27.0344 . . 633 72 72 GLU CG C 34.7006 . . 634 72 72 GLU N N 117.9637 . . 635 73 73 GLU H H 8.3702 . . 636 73 73 GLU HA H 3.8418 . . 637 73 73 GLU HB2 H 1.9630 . . 638 73 73 GLU HB3 H 1.9630 . . 639 73 73 GLU HG2 H 2.1870 . . 640 73 73 GLU HG3 H 2.3800 . . 641 73 73 GLU C C 179.4510 . . 642 73 73 GLU CA C 60.5671 . . 643 73 73 GLU CB C 29.2461 . . 644 73 73 GLU CG C 37.2565 . . 645 73 73 GLU N N 119.3598 . . 646 74 74 GLU H H 8.8409 . . 647 74 74 GLU HA H 3.8188 . . 648 74 74 GLU C C 178.7300 . . 649 74 74 GLU CA C 59.6495 . . 650 74 74 GLU CB C 29.3300 . . 651 74 74 GLU CG C 37.2195 . . 652 74 74 GLU N N 121.3741 . . 653 75 75 ALA H H 8.1958 . . 654 75 75 ALA HA H 2.5819 . . 655 75 75 ALA HB H 0.6690 . . 656 75 75 ALA C C 178.2500 . . 657 75 75 ALA CA C 54.2808 . . 658 75 75 ALA CB C 18.2795 . . 659 75 75 ALA N N 122.4409 . . 660 76 76 LEU H H 7.7413 . . 661 76 76 LEU HA H 3.5917 . . 662 76 76 LEU HB2 H 1.3660 . . 663 76 76 LEU HB3 H 1.7510 . . 664 76 76 LEU C C 177.9720 . . 665 76 76 LEU CA C 58.4689 . . 666 76 76 LEU CB C 41.8420 . . 667 76 76 LEU CD1 C 26.1134 . . 668 76 76 LEU CD2 C 24.3151 . . 669 76 76 LEU N N 116.5898 . . 670 77 77 ALA H H 7.4155 . . 671 77 77 ALA HA H 3.8727 . . 672 77 77 ALA HB H 1.3630 . . 673 77 77 ALA C C 180.4440 . . 674 77 77 ALA CA C 54.9641 . . 675 77 77 ALA CB C 17.8123 . . 676 77 77 ALA N N 117.3819 . . 677 78 78 ALA H H 7.6183 . . 678 78 78 ALA HA H 4.0838 . . 679 78 78 ALA HB H 1.4350 . . 680 78 78 ALA C C 179.9650 . . 681 78 78 ALA CA C 54.7984 . . 682 78 78 ALA CB C 19.1700 . . 683 78 78 ALA N N 120.4504 . . 684 79 79 VAL H H 7.9919 . . 685 79 79 VAL HA H 3.3045 . . 686 79 79 VAL HB H 1.9710 . . 687 79 79 VAL HG1 H 0.8720 . . 688 79 79 VAL HG2 H 0.6480 . . 689 79 79 VAL C C 177.2060 . . 690 79 79 VAL CA C 66.6762 . . 691 79 79 VAL CB C 31.4038 . . 692 79 79 VAL CG1 C 22.6935 . . 693 79 79 VAL CG2 C 22.6935 . . 694 79 79 VAL N N 119.7159 . . 695 80 80 ILE H H 8.2521 . . 696 80 80 ILE HA H 3.5541 . . 697 80 80 ILE HB H 1.9020 . . 698 80 80 ILE HG2 H 0.8570 . . 699 80 80 ILE C C 178.5010 . . 700 80 80 ILE CA C 64.5557 . . 701 80 80 ILE CB C 36.5846 . . 702 80 80 ILE CG1 C 28.1534 . . 703 80 80 ILE CG2 C 17.3669 . . 704 80 80 ILE N N 118.6959 . . 705 81 81 ALA H H 7.7181 . . 706 81 81 ALA HA H 4.1486 . . 707 81 81 ALA HB H 1.4350 . . 708 81 81 ALA C C 180.4620 . . 709 81 81 ALA CA C 54.7651 . . 710 81 81 ALA CB C 17.9209 . . 711 81 81 ALA N N 120.1501 . . 712 82 82 LEU H H 7.5772 . . 713 82 82 LEU HA H 4.0259 . . 714 82 82 LEU HB3 H 1.6810 . . 715 82 82 LEU C C 179.1630 . . 716 82 82 LEU CA C 57.6238 . . 717 82 82 LEU CB C 41.4787 . . 718 82 82 LEU CD2 C 24.6215 . . 719 82 82 LEU N N 119.4728 . . 720 83 83 PHE H H 7.8449 . . 721 83 83 PHE HA H 4.5314 . . 722 83 83 PHE HB2 H 3.0270 . . 723 83 83 PHE HB3 H 3.2990 . . 724 83 83 PHE C C 176.3250 . . 725 83 83 PHE CA C 58.5530 . . 726 83 83 PHE CB C 38.6458 . . 727 83 83 PHE N N 116.1996 . . 728 84 84 ASN H H 7.9354 . . 729 84 84 ASN HA H 5.0004 . . 730 84 84 ASN HB2 H 2.7830 . . 731 84 84 ASN HB3 H 2.9610 . . 732 84 84 ASN HD21 H 7.4790 . . 733 84 84 ASN HD22 H 6.8600 . . 734 84 84 ASN C C 174.4840 . . 735 84 84 ASN CA C 53.3801 . . 736 84 84 ASN CB C 39.8112 . . 737 84 84 ASN N N 117.9653 . . 738 84 84 ASN ND2 N 111.2460 . . 739 85 85 SER H H 7.6083 . . 740 85 85 SER HA H 4.3068 . . 741 85 85 SER HB2 H 3.9610 . . 742 85 85 SER HB3 H 3.9610 . . 743 85 85 SER CA C 60.7118 . . 744 85 85 SER CB C 65.1670 . . 745 85 85 SER N N 121.2008 . . stop_ save_