data_19484 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; NMR structure of a two-transmembrane segment TM VI-VII of NHE1 ; _BMRB_accession_number 19484 _BMRB_flat_file_name bmr19484.str _Entry_type original _Submission_date 2013-09-10 _Accession_date 2013-09-10 _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 Lee Brian L. . 2 Sykes Brian D. . 3 Alves Claudia . . 4 Fliegel Larry . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 295 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2014-06-30 original author . stop_ _Original_release_date 2014-06-30 save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title 'Structural and Functional Analysis of the Transmembrane Segment Pair VI and VII of the NHE1 Isoform of the Na(+)/H(+) Exchanger' _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 24840010 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Alves Claudia . . 2 Lee Brian L. . 3 Sykes Brian D. . 4 Fliegel Larry . . stop_ _Journal_abbreviation Biochemistry _Journal_volume 53 _Journal_issue 22 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 3658 _Page_last 3670 _Year 2014 _Details . save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name tm67 _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label tm67 $entity stop_ _System_molecular_weight . _System_physical_state native _System_oligomer_state ? _System_paramagnetic no _System_thiol_state . _Database_query_date . _Details . save_ ######################## # Monomeric polymers # ######################## save_entity _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common entity _Molecular_mass 6257.431 _Mol_thiol_state 'not present' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 57 _Mol_residue_sequence ; GSKKKDNLLFGSIISAVDPV AVLAVFEEIHINELLHILVF GESLLNDAVTVVLYKKK ; loop_ _Residue_seq_code _Residue_author_seq_code _Residue_label 1 221 GLY 2 222 SER 3 223 LYS 4 224 LYS 5 225 LYS 6 226 ASP 7 227 ASN 8 228 LEU 9 229 LEU 10 230 PHE 11 231 GLY 12 232 SER 13 233 ILE 14 234 ILE 15 235 SER 16 236 ALA 17 237 VAL 18 238 ASP 19 239 PRO 20 240 VAL 21 241 ALA 22 242 VAL 23 243 LEU 24 244 ALA 25 245 VAL 26 246 PHE 27 247 GLU 28 248 GLU 29 249 ILE 30 250 HIS 31 251 ILE 32 252 ASN 33 253 GLU 34 254 LEU 35 255 LEU 36 256 HIS 37 257 ILE 38 258 LEU 39 259 VAL 40 260 PHE 41 261 GLY 42 262 GLU 43 263 SER 44 264 LEU 45 265 LEU 46 266 ASN 47 267 ASP 48 268 ALA 49 269 VAL 50 270 THR 51 271 VAL 52 272 VAL 53 273 LEU 54 274 TYR 55 275 LYS 56 276 LYS 57 277 LYS stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2015-01-29 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 2MDF "Nmr Structure Of A Two-transmembrane Segment Tm Vi-vii Of Nhe1" 100.00 57 100.00 100.00 1.11e-29 DBJ BAE02258 "unnamed protein product [Macaca fascicularis]" 82.46 315 100.00 100.00 6.18e-21 DBJ BAE29332 "unnamed protein product [Mus musculus]" 85.96 820 97.96 97.96 1.70e-20 DBJ BAE32882 "unnamed protein product [Mus musculus]" 85.96 820 97.96 97.96 1.70e-20 DBJ BAE38221 "unnamed protein product [Mus musculus]" 85.96 549 97.96 97.96 1.78e-20 DBJ BAE75800 "NHE1 [Takifugu obscurus]" 82.46 730 100.00 100.00 1.32e-19 EMBL CAA42558 "Na(+)/H(+) exchanger [Oryctolagus cuniculus]" 85.96 816 100.00 100.00 2.46e-21 EMBL CAA43721 "Na(+)/H(+) exchanger [Oryctolagus cuniculus]" 85.96 816 97.96 97.96 7.69e-21 EMBL CAA69925 "Na+/H+ antiporter [Xenopus laevis]" 84.21 781 100.00 100.00 1.94e-20 EMBL CAB45232 "sodium hydrogen exchanger [Cyprinus carpio]" 82.46 698 97.87 100.00 7.41e-20 EMBL CAF94405 "unnamed protein product, partial [Tetraodon nigroviridis]" 82.46 476 100.00 100.00 3.07e-19 GB AAA31092 "Na+-H+ exchanger [Sus scrofa]" 85.96 818 100.00 100.00 2.62e-21 GB AAA91483 "Na+/H+ antiporter protein [Bos taurus]" 85.96 817 97.96 100.00 9.00e-21 GB AAA92976 "Na+/H+ exchanger [Mus musculus]" 85.96 820 97.96 97.96 1.70e-20 GB AAA98479 "sodium-hydrogen exchange protein-isoform 1 [Rattus norvegicus]" 85.96 820 97.96 97.96 1.91e-20 GB AAB20633 "Na(+)-H+ exchanger [Sus scrofa]" 85.96 818 100.00 100.00 2.59e-21 REF NP_001007104 "sodium/hydrogen exchanger 1 [Sus scrofa]" 85.96 818 100.00 100.00 2.59e-21 REF NP_001038108 "sodium/hydrogen exchanger 1 precursor [Gallus gallus]" 84.21 803 100.00 100.00 9.09e-21 REF NP_001081553 "solute carrier family 9, subfamily A (NHE1, cation proton antiporter 1), member 1 [Xenopus laevis]" 84.21 781 100.00 100.00 1.94e-20 REF NP_001095191 "sodium/hydrogen exchanger 1 [Oryctolagus cuniculus]" 85.96 816 100.00 100.00 2.46e-21 REF NP_001273957 "sodium/hydrogen exchanger 1 [Canis lupus familiaris]" 85.96 816 100.00 100.00 2.77e-21 SP P19634 "RecName: Full=Sodium/hydrogen exchanger 1; AltName: Full=APNH; AltName: Full=Na(+)/H(+) antiporter, amiloride-sensitive; AltNam" 85.96 815 100.00 100.00 3.26e-21 SP P23791 "RecName: Full=Sodium/hydrogen exchanger 1; AltName: Full=Na(+)/H(+) exchanger 1; Short=NHE-1; AltName: Full=Solute carrier fami" 85.96 816 100.00 100.00 2.46e-21 SP P26431 "RecName: Full=Sodium/hydrogen exchanger 1; AltName: Full=Na(+)/H(+) exchanger 1; Short=NHE-1; AltName: Full=Solute carrier fami" 85.96 820 97.96 97.96 1.91e-20 SP P48762 "RecName: Full=Sodium/hydrogen exchanger 1; AltName: Full=Na(+)/H(+) exchanger 1; Short=NHE-1; AltName: Full=Solute carrier fami" 85.96 818 100.00 100.00 2.62e-21 SP Q28036 "RecName: Full=Sodium/hydrogen exchanger 1; AltName: Full=Na(+)/H(+) exchanger 1; Short=NHE-1; AltName: Full=Solute carrier fami" 85.96 817 97.96 100.00 9.00e-21 TPG DAA32066 "TPA: sodium/hydrogen exchanger 1 [Bos taurus]" 85.96 818 97.96 100.00 1.14e-20 stop_ save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species $entity Human 9606 Eukaryota Metazoa Homo sapiens 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 $entity 'recombinant technology' . Escherichia coli 'XL1 Blue' pMBPVI-VII 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 $entity . mM 1 2 [U-15N] D2O 5 % . . [U-2H] DSS 0.25 mM . . [1,1,2,2,3,3-2H6] H2O 95 % . . 'natural abundance' dodecylphosphocholine . mM 75 150 [U-2H] stop_ save_ save_sample_2 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Concentration_min_value _Concentration_max_value _Isotopic_labeling $entity . mM 1 2 [U-15N] D2O 100 % . . [U-2H] DSS 0.25 mM . . [1,1,2,2,3,3-2H6] dodecylphosphocholine . mM 75 150 [U-2H] stop_ save_ ############################ # Computer software used # ############################ save_VNMRJ _Saveframe_category software _Name VNMRJ _Version . loop_ _Vendor _Address _Electronic_address Varian . . stop_ loop_ _Task collection stop_ _Details . save_ save_NMRPipe _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_NMRView _Saveframe_category software _Name NMRView _Version . loop_ _Vendor _Address _Electronic_address 'Johnson, One Moon Scientific' . . stop_ loop_ _Task 'chemical shift assignment' 'peak picking' stop_ _Details . save_ save_X-PLOR_NIH _Saveframe_category software _Name 'X-PLOR NIH' _Version . loop_ _Vendor _Address _Electronic_address 'Schwieters, Kuszewski, Tjandra and Clore' . . stop_ loop_ _Task 'structure solution' stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Varian _Model INOVA _Field_strength 800 _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_1H-15N_NOESY_2 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-15N NOESY' _Sample_label $sample_1 save_ save_3D_1H-15N_TOCSY_3 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-15N TOCSY' _Sample_label $sample_1 save_ save_2D_DQF-COSY_4 _Saveframe_category NMR_applied_experiment _Experiment_name '2D DQF-COSY' _Sample_label $sample_1 save_ save_2D_1H-1H_TOCSY_5 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-1H TOCSY' _Sample_label $sample_1 save_ save_2D_1H-1H_NOESY_6 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-1H NOESY' _Sample_label $sample_1 save_ save_2D_1H-1H_NOESY_7 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-1H NOESY' _Sample_label $sample_2 save_ save_NMR_spectrometer_expt _Saveframe_category NMR_applied_experiment _Experiment_name . _BMRB_pulse_sequence_accession_number . _Details . 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 . M pH 5 . pH pressure 1 . atm temperature 273 . K stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference_1 _Saveframe_category chemical_shift_reference _Details . loop_ _Mol_common_name _Atom_type _Atom_isotope_number _Atom_group _Chem_shift_units _Chem_shift_value _Reference_method _Reference_type _External_reference_sample_geometry _External_reference_location _External_reference_axis _Indirect_shift_ratio DSS 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 '2D 1H-15N HSQC' '3D 1H-15N NOESY' '3D 1H-15N TOCSY' '2D DQF-COSY' '2D 1H-1H TOCSY' '2D 1H-1H NOESY' 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 tm67 _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 1 221 1 GLY HA2 H 3.2880 0.005 2 2 221 1 GLY HA3 H 3.4970 0.005 2 3 222 2 SER H H 8.6480 0.005 1 4 222 2 SER HA H 3.8520 0.005 1 5 222 2 SER HB3 H 4.5020 0.005 2 6 223 3 LYS H H 8.4980 0.005 1 7 223 3 LYS HA H 4.3380 0.005 1 8 223 3 LYS HB2 H 1.7410 0.005 2 9 223 3 LYS HB3 H 1.8300 0.005 2 10 223 3 LYS HG2 H 1.4270 0.005 2 11 223 3 LYS HG3 H 1.4490 0.005 2 12 223 3 LYS HD3 H 1.6760 0.005 2 13 223 3 LYS HE3 H 2.9920 0.005 2 14 224 4 LYS H H 8.3680 0.005 1 15 224 4 LYS HA H 4.2570 0.005 1 16 224 4 LYS HB2 H 1.7420 0.005 2 17 224 4 LYS HB3 H 1.7980 0.005 2 18 224 4 LYS HG3 H 1.4190 0.005 2 19 224 4 LYS HD3 H 1.6780 0.005 2 20 224 4 LYS HE3 H 2.9850 0.005 2 21 225 5 LYS H H 8.3880 0.005 1 22 225 5 LYS HA H 4.2640 0.005 1 23 225 5 LYS HB2 H 1.7420 0.005 2 24 225 5 LYS HB3 H 1.8180 0.005 2 25 225 5 LYS HG3 H 1.4200 0.005 2 26 225 5 LYS HD3 H 1.6780 0.005 2 27 225 5 LYS HE3 H 2.9850 0.005 2 28 226 6 ASP H H 8.2560 0.005 1 29 226 6 ASP HA H 4.5610 0.005 1 30 226 6 ASP HB2 H 2.5880 0.005 2 31 226 6 ASP HB3 H 2.6580 0.005 2 32 227 7 ASN H H 8.3630 0.005 1 33 227 7 ASN HA H 4.6770 0.005 1 34 227 7 ASN HB2 H 2.7490 0.005 2 35 227 7 ASN HB3 H 2.8240 0.005 2 36 227 7 ASN HD21 H 7.7020 0.005 2 37 227 7 ASN HD22 H 6.8020 0.005 2 38 228 8 LEU H H 8.3620 0.005 1 39 228 8 LEU HA H 4.2790 0.005 1 40 228 8 LEU HB3 H 1.5530 0.005 2 41 228 8 LEU HG H 1.6230 0.005 1 42 228 8 LEU HD1 H 0.9240 0.005 2 43 228 8 LEU HD2 H 0.8700 0.005 2 44 229 9 LEU H H 8.3330 0.005 1 45 229 9 LEU HA H 4.2100 0.005 1 46 229 9 LEU HB2 H 1.4940 0.005 2 47 229 9 LEU HB3 H 1.5970 0.005 2 48 229 9 LEU HG H 1.4420 0.005 1 49 229 9 LEU HD1 H 0.8640 0.005 2 50 229 9 LEU HD2 H 0.8090 0.005 2 51 230 10 PHE H H 8.4840 0.005 1 52 230 10 PHE HA H 4.3890 0.005 1 53 230 10 PHE HB2 H 3.1360 0.005 2 54 230 10 PHE HB3 H 3.1840 0.005 2 55 230 10 PHE HD1 H 7.2370 0.005 3 56 230 10 PHE HE1 H 7.2550 0.005 3 57 230 10 PHE HZ H 7.1710 0.005 1 58 231 11 GLY H H 8.4880 0.005 1 59 231 11 GLY HA2 H 3.7910 0.005 2 60 231 11 GLY HA3 H 4.0140 0.005 2 61 232 12 SER H H 8.1020 0.005 1 62 232 12 SER HA H 4.3960 0.005 1 63 232 12 SER HB2 H 3.8960 0.005 2 64 232 12 SER HB3 H 3.9760 0.005 2 65 233 13 ILE H H 7.9930 0.005 1 66 233 13 ILE HA H 3.9590 0.005 1 67 233 13 ILE HB H 1.9780 0.005 1 68 233 13 ILE HG12 H 1.1820 0.005 2 69 233 13 ILE HG13 H 1.6560 0.005 2 70 233 13 ILE HG2 H 0.8880 0.005 1 71 233 13 ILE HD1 H 0.8590 0.005 1 72 234 14 ILE H H 7.8370 0.005 1 73 234 14 ILE HA H 3.9890 0.005 1 74 234 14 ILE HB H 1.8960 0.005 1 75 234 14 ILE HG12 H 1.2050 0.005 2 76 234 14 ILE HG13 H 1.4930 0.005 2 77 234 14 ILE HG2 H 0.8910 0.005 1 78 234 14 ILE HD1 H 0.8150 0.005 1 79 235 15 SER H H 7.7890 0.005 1 80 235 15 SER HA H 4.3300 0.005 1 81 235 15 SER HB2 H 3.9000 0.005 2 82 235 15 SER HB3 H 3.9520 0.005 2 83 236 16 ALA H H 7.7290 0.005 1 84 236 16 ALA HA H 4.3610 0.005 1 85 236 16 ALA HB H 1.4630 0.005 1 86 237 17 VAL H H 7.4750 0.005 1 87 237 17 VAL HA H 4.0620 0.005 1 88 237 17 VAL HB H 2.0690 0.005 1 89 237 17 VAL HG1 H 0.9160 0.005 2 90 237 17 VAL HG2 H 0.8350 0.005 2 91 238 18 ASP H H 8.3300 0.005 1 92 238 18 ASP HA H 4.9640 0.005 1 93 238 18 ASP HB2 H 2.6800 0.005 2 94 238 18 ASP HB3 H 2.9470 0.005 2 95 239 19 PRO HA H 4.0690 0.005 1 96 239 19 PRO HB2 H 1.9770 0.005 2 97 239 19 PRO HB3 H 2.0090 0.005 2 98 239 19 PRO HG3 H 2.2000 0.005 2 99 239 19 PRO HD2 H 4.0930 0.005 2 100 239 19 PRO HD3 H 4.1400 0.005 2 101 240 20 VAL H H 7.9360 0.005 1 102 240 20 VAL HA H 3.6070 0.005 1 103 240 20 VAL HB H 2.2160 0.005 1 104 240 20 VAL HG1 H 1.0470 0.005 2 105 240 20 VAL HG2 H 0.9580 0.005 2 106 241 21 ALA H H 7.4040 0.005 1 107 241 21 ALA HA H 4.1930 0.005 1 108 241 21 ALA HB H 1.5470 0.005 1 109 242 22 VAL H H 7.5920 0.005 1 110 242 22 VAL HA H 3.5480 0.005 1 111 242 22 VAL HB H 2.1220 0.005 1 112 242 22 VAL HG1 H 0.9740 0.005 2 113 242 22 VAL HG2 H 0.8070 0.005 2 114 243 23 LEU H H 7.9890 0.005 1 115 243 23 LEU HA H 4.0190 0.005 1 116 243 23 LEU HB3 H 1.7760 0.005 2 117 243 23 LEU HG H 1.7750 0.005 1 118 243 23 LEU HD1 H 0.9670 0.005 2 119 243 23 LEU HD2 H 0.9130 0.005 2 120 244 24 ALA H H 7.7160 0.005 1 121 244 24 ALA HA H 4.1230 0.005 1 122 244 24 ALA HB H 1.5090 0.005 1 123 245 25 VAL H H 7.5020 0.005 1 124 245 25 VAL HA H 3.7840 0.005 1 125 245 25 VAL HB H 2.1960 0.005 1 126 245 25 VAL HG1 H 1.0470 0.005 2 127 245 25 VAL HG2 H 0.8220 0.005 2 128 246 26 PHE H H 7.9860 0.005 1 129 246 26 PHE HA H 4.2460 0.005 1 130 246 26 PHE HB2 H 3.1800 0.005 2 131 246 26 PHE HB3 H 3.2250 0.005 2 132 246 26 PHE HD2 H 7.2000 0.005 3 133 246 26 PHE HE2 H 7.1120 0.005 3 134 246 26 PHE HZ H 7.0310 0.005 1 135 247 27 GLU H H 8.0630 0.005 1 136 247 27 GLU HA H 4.0950 0.005 1 137 247 27 GLU HB2 H 2.1440 0.005 2 138 247 27 GLU HB3 H 2.2050 0.005 2 139 247 27 GLU HG2 H 2.5000 0.005 2 140 247 27 GLU HG3 H 2.6330 0.005 2 141 248 28 GLU H H 7.7200 0.005 1 142 248 28 GLU HA H 4.2950 0.005 1 143 248 28 GLU HB2 H 2.1490 0.005 2 144 248 28 GLU HB3 H 2.2160 0.005 2 145 248 28 GLU HG2 H 2.4960 0.005 2 146 248 28 GLU HG3 H 2.5170 0.005 2 147 249 29 ILE H H 7.3740 0.005 1 148 249 29 ILE HA H 4.0370 0.005 1 149 249 29 ILE HB H 1.9080 0.005 1 150 249 29 ILE HG12 H 1.2220 0.005 2 151 249 29 ILE HG13 H 1.6120 0.005 2 152 249 29 ILE HG2 H 0.8410 0.005 1 153 249 29 ILE HD1 H 0.7780 0.005 1 154 251 31 ILE H H 8.9100 0.005 1 155 251 31 ILE HA H 3.9020 0.005 1 156 251 31 ILE HB H 1.9970 0.005 1 157 251 31 ILE HG12 H 1.3660 0.005 2 158 251 31 ILE HG13 H 1.5560 0.005 2 159 251 31 ILE HG2 H 0.9710 0.005 1 160 251 31 ILE HD1 H 0.9060 0.005 1 161 252 32 ASN H H 8.8010 0.005 1 162 252 32 ASN HA H 4.3670 0.005 1 163 252 32 ASN HB2 H 2.7470 0.005 2 164 252 32 ASN HB3 H 2.8370 0.005 2 165 252 32 ASN HD21 H 7.6870 0.005 2 166 252 32 ASN HD22 H 6.9320 0.005 2 167 253 33 GLU H H 7.8660 0.005 1 168 253 33 GLU HA H 4.2310 0.005 1 169 253 33 GLU HB2 H 2.1200 0.005 2 170 253 33 GLU HB3 H 2.3350 0.005 2 171 253 33 GLU HG2 H 2.4210 0.005 2 172 253 33 GLU HG3 H 2.5080 0.005 2 173 254 34 LEU H H 7.9180 0.005 1 174 254 34 LEU HA H 4.1110 0.005 1 175 254 34 LEU HD1 H 0.9250 0.005 2 176 254 34 LEU HD2 H 0.8900 0.005 2 177 255 35 LEU H H 8.3640 0.005 1 178 255 35 LEU HA H 4.0240 0.005 1 179 255 35 LEU HB3 H 1.6170 0.005 2 180 255 35 LEU HG H 1.8570 0.005 1 181 255 35 LEU HD1 H 0.9350 0.005 2 182 255 35 LEU HD2 H 0.8750 0.005 2 183 256 36 HIS H H 7.8650 0.005 1 184 256 36 HIS HA H 4.4320 0.005 1 185 256 36 HIS HB3 H 3.4080 0.005 2 186 256 36 HIS HD2 H 7.2900 0.005 1 187 257 37 ILE H H 7.9550 0.005 1 188 257 37 ILE HA H 3.8360 0.005 1 189 257 37 ILE HB H 2.1480 0.005 1 190 257 37 ILE HG12 H 1.2220 0.005 2 191 257 37 ILE HG13 H 1.8110 0.005 2 192 257 37 ILE HG2 H 0.9730 0.005 1 193 257 37 ILE HD1 H 0.9080 0.005 1 194 258 38 LEU H H 8.0990 0.005 1 195 258 38 LEU HA H 4.0560 0.005 1 196 258 38 LEU HB3 H 1.8860 0.005 2 197 258 38 LEU HG H 1.6420 0.005 1 198 258 38 LEU HD1 H 0.8950 0.005 2 199 258 38 LEU HD2 H 0.8600 0.005 2 200 259 39 VAL H H 8.0430 0.005 1 201 259 39 VAL HA H 3.7610 0.005 1 202 259 39 VAL HB H 2.1120 0.005 1 203 259 39 VAL HG1 H 1.0630 0.005 2 204 259 39 VAL HG2 H 0.9170 0.005 2 205 260 40 PHE H H 7.9880 0.005 1 206 260 40 PHE HA H 4.4460 0.005 1 207 260 40 PHE HB3 H 3.2040 0.005 2 208 260 40 PHE HD2 H 7.2500 0.005 3 209 260 40 PHE HE2 H 7.3130 0.005 3 210 261 41 GLY H H 8.7820 0.005 1 211 261 41 GLY HA2 H 3.6620 0.005 2 212 261 41 GLY HA3 H 3.7550 0.005 2 213 262 42 GLU H H 8.4810 0.005 1 214 262 42 GLU HA H 3.9040 0.005 1 215 262 42 GLU HB2 H 2.2010 0.005 2 216 262 42 GLU HB3 H 2.2350 0.005 2 217 262 42 GLU HG2 H 2.3720 0.005 2 218 262 42 GLU HG3 H 2.5420 0.005 2 219 263 43 SER H H 8.0130 0.005 1 220 263 43 SER HA H 4.2490 0.005 1 221 263 43 SER HB3 H 3.9890 0.005 2 222 264 44 LEU H H 7.7410 0.005 1 223 264 44 LEU HA H 4.1850 0.005 1 224 264 44 LEU HB3 H 1.7740 0.005 2 225 264 44 LEU HG H 1.6020 0.005 1 226 264 44 LEU HD1 H 0.8440 0.005 2 227 264 44 LEU HD2 H 0.8350 0.005 2 228 265 45 LEU H H 7.9420 0.005 1 229 265 45 LEU HA H 4.0630 0.005 1 230 265 45 LEU HB3 H 1.7540 0.005 2 231 265 45 LEU HG H 1.6680 0.005 1 232 265 45 LEU HD1 H 0.8900 0.005 2 233 265 45 LEU HD2 H 0.8520 0.005 2 234 266 46 ASN H H 8.1480 0.005 1 235 266 46 ASN HA H 4.3970 0.005 1 236 266 46 ASN HB2 H 2.8270 0.005 2 237 266 46 ASN HB3 H 2.8860 0.005 2 238 266 46 ASN HD21 H 7.5890 0.005 2 239 266 46 ASN HD22 H 6.7890 0.005 2 240 267 47 ASP H H 8.2390 0.005 1 241 267 47 ASP HA H 4.4680 0.005 1 242 267 47 ASP HB2 H 2.7010 0.005 2 243 267 47 ASP HB3 H 2.9170 0.005 2 244 268 48 ALA H H 8.2430 0.005 1 245 268 48 ALA HA H 4.1160 0.005 1 246 268 48 ALA HB H 1.4980 0.005 1 247 269 49 VAL H H 8.2490 0.005 1 248 269 49 VAL HA H 3.6860 0.005 1 249 269 49 VAL HB H 2.2560 0.005 1 250 269 49 VAL HG1 H 1.0780 0.005 2 251 269 49 VAL HG2 H 0.9780 0.005 2 252 270 50 THR H H 7.9820 0.005 1 253 270 50 THR HA H 3.9850 0.005 1 254 270 50 THR HB H 4.3440 0.005 1 255 270 50 THR HG2 H 1.2680 0.005 1 256 271 51 VAL H H 7.7200 0.005 1 257 271 51 VAL HA H 3.8850 0.005 1 258 271 51 VAL HB H 2.2150 0.005 1 259 271 51 VAL HG1 H 1.0670 0.005 2 260 271 51 VAL HG2 H 0.9700 0.005 2 261 272 52 VAL H H 7.7920 0.005 1 262 272 52 VAL HA H 3.8790 0.005 1 263 272 52 VAL HB H 2.1500 0.005 1 264 272 52 VAL HG1 H 1.0420 0.005 2 265 272 52 VAL HG2 H 0.9420 0.005 2 266 273 53 LEU H H 8.0490 0.005 1 267 273 53 LEU HA H 4.2150 0.005 1 268 273 53 LEU HB3 H 1.6120 0.005 2 269 273 53 LEU HG H 1.2850 0.005 1 270 273 53 LEU HD1 H 0.8600 0.005 2 271 273 53 LEU HD2 H 0.8060 0.005 2 272 274 54 TYR H H 7.7210 0.005 1 273 274 54 TYR HA H 4.6010 0.005 1 274 274 54 TYR HB2 H 3.0430 0.005 2 275 274 54 TYR HB3 H 3.1560 0.005 2 276 274 54 TYR HD2 H 7.1430 0.005 3 277 274 54 TYR HE2 H 6.7860 0.005 3 278 275 55 LYS H H 7.8320 0.005 1 279 275 55 LYS HA H 4.2480 0.005 1 280 275 55 LYS HB3 H 1.8270 0.005 2 281 275 55 LYS HG3 H 1.4120 0.005 2 282 275 55 LYS HD3 H 1.6770 0.005 2 283 276 56 LYS H H 8.1740 0.005 1 284 276 56 LYS HA H 4.2730 0.005 1 285 276 56 LYS HB2 H 1.7590 0.005 2 286 276 56 LYS HB3 H 1.8640 0.005 2 287 276 56 LYS HG3 H 1.4660 0.005 2 288 276 56 LYS HD3 H 1.6810 0.005 2 289 277 57 LYS H H 7.8950 0.005 1 290 277 57 LYS HA H 4.1240 0.005 1 291 277 57 LYS HB2 H 1.7090 0.005 2 292 277 57 LYS HB3 H 1.7880 0.005 2 293 277 57 LYS HG3 H 1.4010 0.005 2 294 277 57 LYS HD3 H 1.6720 0.005 2 295 277 57 LYS HE3 H 2.9800 0.005 2 stop_ save_