data_25648 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Backbone chemical shift assignment of rat p75NTR transmembrane and juxtamembrane intracellular domains in lipid/protein nanodiscs ; _BMRB_accession_number 25648 _BMRB_flat_file_name bmr25648.str _Entry_type original _Submission_date 2015-06-03 _Accession_date 2015-06-03 _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 Mineev Konstantin S. . 2 Goncharuk Sergey A. . 3 Arseniev Alexander S. . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 177 "13C chemical shifts" 121 "15N chemical shifts" 32 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2015-09-16 original BMRB . stop_ loop_ _Related_BMRB_accession_number _Relationship 19673 'Assignment of p75 NTR transmembrane domain in DPC micelles' 25646 'Backbone chemical shift assignment of rat p75NTR transmembrane and intracellular domains in lipid/protein nanodiscs' 25647 'Backbone chemical shift assignment of rat p75NTR transmembrane and juxtamembrane intracellular domains in DPC micelles' stop_ _Original_release_date 2015-09-16 save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title ; NMR Dynamics of Transmembrane and Intracellular Domains of p75NTR in Lipid-Protein Nanodiscs ; _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 26287629 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Mineev Konstantin S. . 2 Goncharuk Sergey A. . 3 Kuzmichev Pavel K. . 4 Vilar Marcal . . 5 Arseniev Alexander S. . stop_ _Journal_abbreviation 'Biophys. J.' _Journal_volume 109 _Journal_issue 4 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 772 _Page_last 782 _Year 2015 _Details . save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name p75-TMDCD/LPN _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label p75-TMDCD $p75-TMDCD stop_ _System_molecular_weight 120000 _System_physical_state native _System_oligomer_state ? _System_paramagnetic no _System_thiol_state . _Database_query_date . _Details 'P75-TMDCD in lipid/protein nanodiscs' save_ ######################## # Monomeric polymers # ######################## save_p75-TMDCD _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common p75-TMDCD _Molecular_mass . _Mol_thiol_state 'all free' loop_ _Biological_function 'Neurotrophin reception' 'cell death/survival regulation' stop_ _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 65 _Mol_residue_sequence ; MTRGTTDNLIPVYCSILAAV VVGLVAYIAFKRWNSCKQNK QGANSRPVNQTPPPEGEKLH SDSGI ; loop_ _Residue_seq_code _Residue_author_seq_code _Residue_label 1 244 MET 2 245 THR 3 246 ARG 4 247 GLY 5 248 THR 6 249 THR 7 250 ASP 8 251 ASN 9 252 LEU 10 253 ILE 11 254 PRO 12 255 VAL 13 256 TYR 14 257 CYS 15 258 SER 16 259 ILE 17 260 LEU 18 261 ALA 19 262 ALA 20 263 VAL 21 264 VAL 22 265 VAL 23 266 GLY 24 267 LEU 25 268 VAL 26 269 ALA 27 270 TYR 28 271 ILE 29 272 ALA 30 273 PHE 31 274 LYS 32 275 ARG 33 276 TRP 34 277 ASN 35 278 SER 36 279 CYS 37 280 LYS 38 281 GLN 39 282 ASN 40 283 LYS 41 284 GLN 42 285 GLY 43 286 ALA 44 287 ASN 45 288 SER 46 289 ARG 47 290 PRO 48 291 VAL 49 292 ASN 50 293 GLN 51 294 THR 52 295 PRO 53 296 PRO 54 297 PRO 55 298 GLU 56 299 GLY 57 300 GLU 58 301 LYS 59 302 LEU 60 303 HIS 61 304 SER 62 305 ASP 63 306 SER 64 307 GLY 65 308 ILE stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2015-09-23 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 BMRB 19673 p75-TM-wt 63.08 41 97.56 97.56 1.62e-19 BMRB 25646 p75-TMICD 98.46 199 100.00 100.00 1.66e-38 BMRB 25647 p75-TMDCD 100.00 65 100.00 100.00 4.60e-40 DBJ BAC29775 "unnamed protein product [Mus musculus]" 100.00 417 96.92 98.46 9.00e-36 DBJ BAG36408 "unnamed protein product [Homo sapiens]" 100.00 427 98.46 100.00 2.06e-36 DBJ BAG64358 "unnamed protein product [Homo sapiens]" 100.00 333 98.46 100.00 5.78e-37 EMBL CAA28783 "unnamed protein product [Rattus norvegicus]" 100.00 425 98.46 100.00 1.86e-36 GB AAB59544 "nerve growth factor receptor [Homo sapiens]" 100.00 427 98.46 100.00 2.06e-36 GB AAD17943 "nerve growth factor receptor [Mus musculus]" 100.00 417 96.92 98.46 8.04e-36 GB AAH38365 "Nerve growth factor receptor (TNFR superfamily, member 16) [Mus musculus]" 100.00 427 96.92 98.46 7.33e-36 GB AAH50309 "Nerve growth factor receptor (TNFR superfamily, member 16) [Homo sapiens]" 100.00 427 98.46 100.00 2.06e-36 GB AAI42256 "NGFR protein [Bos taurus]" 100.00 429 96.92 98.46 8.35e-36 PRF 1303336A "nerve growth factor receptor" 100.00 425 98.46 100.00 1.86e-36 REF NP_001095948 "tumor necrosis factor receptor superfamily member 16 precursor [Bos taurus]" 100.00 429 96.92 98.46 8.35e-36 REF NP_002498 "tumor necrosis factor receptor superfamily member 16 precursor [Homo sapiens]" 100.00 427 98.46 100.00 2.06e-36 REF NP_036742 "tumor necrosis factor receptor superfamily member 16 precursor [Rattus norvegicus]" 100.00 425 98.46 100.00 1.66e-36 REF NP_150086 "tumor necrosis factor receptor superfamily member 16 precursor [Mus musculus]" 100.00 427 96.92 98.46 7.33e-36 REF XP_001090039 "PREDICTED: tumor necrosis factor receptor superfamily member 16 [Macaca mulatta]" 100.00 427 98.46 100.00 1.89e-36 SP P07174 "RecName: Full=Tumor necrosis factor receptor superfamily member 16; AltName: Full=Gp80-LNGFR; AltName: Full=Low affinity neurot" 100.00 425 98.46 100.00 1.86e-36 SP P08138 "RecName: Full=Tumor necrosis factor receptor superfamily member 16; AltName: Full=Gp80-LNGFR; AltName: Full=Low affinity neurot" 100.00 427 98.46 100.00 2.06e-36 SP Q9Z0W1 "RecName: Full=Tumor necrosis factor receptor superfamily member 16; AltName: Full=Low affinity neurotrophin receptor p75NTR; Al" 100.00 417 96.92 98.46 8.04e-36 TPG DAA18576 "TPA: tumor necrosis factor receptor superfamily member 16 [Bos taurus]" 100.00 429 96.92 98.46 8.35e-36 stop_ save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species $p75-TMDCD 'Norway rat' 10116 Eukaryota Metazoa Rattus norvegicus 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 $p75-TMDCD 'recombinant technology' . Escherichia coli . pGEMEX-1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Saveframe_category sample _Sample_type solution _Details 'Protein is in nanodiscs, which are formed by MSP1, DMPC and DMPG.' loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $p75-TMDCD 0.2 mM '[U-99% 13C; U-99% 15N]' MSP1 0.4 mM 'natural abundance' DMPC 19.2 mM 'natural abundance' DMPG 4.8 mM 'natural abundance' 'potassium phosphate' 20 mM 'natural abundance' 'sodium chloride' 50 mM 'natural abundance' H2O 95 % 'natural abundance' D2O 5 % 'natural abundance' stop_ save_ ############################ # Computer software used # ############################ save_CARA _Saveframe_category software _Name CARA _Version 1.8 loop_ _Vendor _Address _Electronic_address 'Keller and Wuthrich' . . stop_ loop_ _Task 'chemical shift assignment' 'data analysis' stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _Field_strength 600 _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_2D_1H-13C_HSQC_2 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-13C HSQC' _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_ save_3D_HNCA_4 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCA' _Sample_label $sample_1 save_ save_3D_HNCO_5 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCO' _Sample_label $sample_1 save_ save_3D_HNCACB_6 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCACB' _Sample_label $sample_1 save_ save_3D_HN(CO)CA_7 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HN(CO)CA' _Sample_label $sample_1 save_ save_3D_HN(CA)CO_8 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HN(CA)CO' _Sample_label $sample_1 save_ save_3D_1H-15N_NOESY_9 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-15N NOESY' _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' 70 . mM pH 6.0 . pH pressure 1 . atm temperature 313 . 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 $CARA stop_ loop_ _Experiment_label '3D CBCA(CO)NH' '3D HNCA' '3D HNCO' '3D HNCACB' 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 p75-TMDCD _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 1 245 2 THR H H 8.130 0.020 1 2 245 2 THR HA H 4.365 0.020 1 3 245 2 THR HB H 4.221 0.020 1 4 245 2 THR HG2 H 1.168 0.020 1 5 245 2 THR C C 174.077 0.3 1 6 245 2 THR CA C 61.486 0.3 1 7 245 2 THR CB C 69.459 0.3 1 8 245 2 THR CG2 C 21.355 0.3 1 9 245 2 THR N N 113.342 0.3 1 10 246 3 ARG H H 8.330 0.020 1 11 246 3 ARG HA H 4.343 0.020 1 12 246 3 ARG HB2 H 1.891 0.020 2 13 246 3 ARG HB3 H 1.787 0.020 2 14 246 3 ARG HG2 H 1.648 0.020 1 15 246 3 ARG HG3 H 1.648 0.020 1 16 246 3 ARG HD2 H 3.181 0.020 1 17 246 3 ARG HD3 H 3.181 0.020 1 18 246 3 ARG HE H 7.350 0.020 1 19 246 3 ARG C C 176.241 0.3 1 20 246 3 ARG CA C 56.072 0.3 1 21 246 3 ARG CB C 30.496 0.3 1 22 246 3 ARG CG C 26.859 0.3 1 23 246 3 ARG CD C 43.072 0.3 1 24 246 3 ARG N N 123.152 0.3 1 25 246 3 ARG NE N 84.984 0.3 1 26 247 4 GLY H H 8.426 0.020 1 27 247 4 GLY HA2 H 3.986 0.020 1 28 247 4 GLY C C 174.001 0.3 1 29 247 4 GLY CA C 45.015 0.3 1 30 247 4 GLY N N 109.871 0.3 1 31 248 5 THR H H 8.027 0.020 1 32 248 5 THR HA H 4.393 0.020 1 33 248 5 THR HB H 4.280 0.020 1 34 248 5 THR HG1 H 4.548 0.020 1 35 248 5 THR HG2 H 1.191 0.020 1 36 248 5 THR C C 174.718 0.3 1 37 248 5 THR CA C 61.853 0.3 1 38 248 5 THR CB C 69.020 0.3 1 39 248 5 THR CG2 C 21.446 0.3 1 40 248 5 THR N N 113.370 0.3 1 41 249 6 THR H H 8.134 0.020 1 42 249 6 THR HA H 4.303 0.020 1 43 249 6 THR HB H 4.283 0.020 1 44 249 6 THR HG1 H 4.528 0.020 1 45 249 6 THR HG2 H 1.193 0.020 1 46 249 6 THR C C 174.099 0.3 1 47 249 6 THR CA C 62.039 0.3 1 48 249 6 THR CB C 69.069 0.3 1 49 249 6 THR CG2 C 21.459 0.3 1 50 249 6 THR N N 114.753 0.3 1 51 250 7 ASP H H 8.197 0.020 1 52 250 7 ASP HA H 4.545 0.020 1 53 250 7 ASP HB2 H 2.681 0.020 2 54 250 7 ASP HB3 H 2.639 0.020 2 55 250 7 ASP C C 175.632 0.3 1 56 250 7 ASP CA C 54.479 0.3 1 57 250 7 ASP CB C 40.490 0.3 1 58 250 7 ASP N N 121.522 0.3 1 59 278 35 SER H H 7.785 0.020 1 60 278 35 SER HA H 4.293 0.020 1 61 278 35 SER HB2 H 3.926 0.020 1 62 278 35 SER HB3 H 3.926 0.020 1 63 278 35 SER C C 174.719 0.3 1 64 278 35 SER CA C 59.312 0.3 1 65 278 35 SER CB C 63.289 0.3 1 66 278 35 SER N N 114.953 0.3 1 67 279 36 CYS H H 7.979 0.020 1 68 279 36 CYS HA H 4.414 0.020 1 69 279 36 CYS HB2 H 2.913 0.020 1 70 279 36 CYS HB3 H 2.913 0.020 1 71 279 36 CYS N N 119.968 0.3 1 72 280 37 LYS H H 7.970 0.020 1 73 280 37 LYS HA H 4.153 0.020 1 74 280 37 LYS HB2 H 1.713 0.020 1 75 280 37 LYS HB3 H 1.643 0.020 2 76 280 37 LYS HG2 H 1.270 0.020 1 77 280 37 LYS HG3 H 1.270 0.020 1 78 280 37 LYS HD2 H 1.535 0.020 1 79 280 37 LYS HD3 H 1.535 0.020 1 80 280 37 LYS HE2 H 2.853 0.020 1 81 280 37 LYS HE3 H 2.853 0.020 1 82 280 37 LYS C C 176.404 0.3 1 83 280 37 LYS CA C 56.371 0.3 1 84 280 37 LYS CB C 32.250 0.3 1 85 280 37 LYS CG C 24.194 0.3 1 86 280 37 LYS CD C 28.608 0.3 1 87 280 37 LYS CE C 41.759 0.3 1 88 280 37 LYS N N 122.221 0.3 1 89 281 38 GLN H H 8.132 0.020 1 90 281 38 GLN HA H 4.251 0.020 1 91 281 38 GLN HB2 H 2.056 0.020 2 92 281 38 GLN HB3 H 1.935 0.020 2 93 281 38 GLN HG2 H 2.315 0.020 1 94 281 38 GLN HG3 H 2.315 0.020 1 95 281 38 GLN C C 175.491 0.3 1 96 281 38 GLN CA C 55.646 0.3 1 97 281 38 GLN CB C 29.053 0.3 1 98 281 38 GLN CG C 33.505 0.3 1 99 281 38 GLN N N 120.054 0.3 1 100 283 40 LYS H H 8.160 0.020 1 101 283 40 LYS HA H 4.273 0.020 1 102 283 40 LYS HB2 H 1.827 0.020 2 103 283 40 LYS HB3 H 1.827 0.020 1 104 283 40 LYS HG2 H 1.391 0.020 1 105 283 40 LYS HG3 H 1.391 0.020 1 106 283 40 LYS HD2 H 1.647 0.020 1 107 283 40 LYS HD3 H 1.647 0.020 1 108 283 40 LYS HE2 H 2.957 0.020 1 109 283 40 LYS HE3 H 2.957 0.020 1 110 283 40 LYS C C 176.154 0.3 1 111 283 40 LYS CA C 56.078 0.3 1 112 283 40 LYS CB C 32.523 0.3 1 113 283 40 LYS CG C 24.356 0.3 1 114 283 40 LYS N N 121.876 0.3 1 115 284 41 GLN H H 8.279 0.020 1 116 284 41 GLN HA H 4.305 0.020 1 117 284 41 GLN HB2 H 2.095 0.020 2 118 284 41 GLN HB3 H 1.984 0.020 2 119 284 41 GLN HG2 H 2.359 0.020 1 120 284 41 GLN HG3 H 2.359 0.020 1 121 284 41 GLN C C 176.143 0.3 1 122 284 41 GLN CA C 55.775 0.3 1 123 284 41 GLN CB C 29.092 0.3 1 124 284 41 GLN CG C 33.525 0.3 1 125 284 41 GLN N N 121.239 0.3 1 126 285 42 GLY H H 8.304 0.020 1 127 285 42 GLY HA2 H 3.944 0.020 1 128 285 42 GLY HA3 H 3.944 0.020 1 129 285 42 GLY C C 173.653 0.3 1 130 285 42 GLY CA C 44.905 0.3 1 131 285 42 GLY N N 110.205 0.3 1 132 286 43 ALA H H 8.110 0.020 1 133 286 43 ALA HA H 4.286 0.020 1 134 286 43 ALA HB H 1.359 0.020 1 135 286 43 ALA C C 177.296 0.3 1 136 286 43 ALA CA C 52.404 0.3 1 137 286 43 ALA CB C 18.868 0.3 1 138 286 43 ALA N N 123.677 0.3 1 139 288 45 SER H H 8.044 0.020 1 140 288 45 SER HA H 4.400 0.020 1 141 288 45 SER HB2 H 3.821 0.020 1 142 288 45 SER HB3 H 3.821 0.020 1 143 288 45 SER C C 173.599 0.3 1 144 288 45 SER CA C 58.015 0.3 1 145 288 45 SER CB C 63.542 0.3 1 146 288 45 SER N N 115.887 0.3 1 147 289 46 ARG H H 8.123 0.020 1 148 289 46 ARG HA H 4.621 0.020 1 149 289 46 ARG HB2 H 1.804 0.020 2 150 289 46 ARG HB3 H 1.708 0.020 2 151 289 46 ARG HG2 H 1.637 0.020 1 152 289 46 ARG HG3 H 1.637 0.020 1 153 289 46 ARG HD2 H 3.179 0.020 1 154 289 46 ARG HD3 H 3.179 0.020 1 155 289 46 ARG HE H 7.124 0.020 1 156 289 46 ARG C C 173.707 0.3 1 157 289 46 ARG CA C 53.630 0.3 1 158 289 46 ARG CB C 30.018 0.3 1 159 289 46 ARG CG C 26.462 0.3 1 160 289 46 ARG CD C 43.087 0.3 1 161 289 46 ARG N N 123.486 0.3 1 162 289 46 ARG NE N 85.203 0.3 1 163 290 47 PRO HA H 4.437 0.020 1 164 290 47 PRO HB2 H 2.258 0.020 2 165 290 47 PRO HB3 H 1.879 0.020 2 166 290 47 PRO HG2 H 1.995 0.020 1 167 290 47 PRO HG3 H 1.995 0.020 1 168 290 47 PRO HD2 H 3.781 0.020 2 169 290 47 PRO HD3 H 3.583 0.020 2 170 290 47 PRO CA C 62.738 0.3 1 171 290 47 PRO CB C 31.666 0.3 1 172 290 47 PRO CG C 27.067 0.3 1 173 290 47 PRO CD C 50.266 0.3 1 174 291 48 VAL H H 8.132 0.020 1 175 291 48 VAL HA H 4.062 0.020 1 176 291 48 VAL HB H 2.045 0.020 1 177 291 48 VAL HG1 H 0.928 0.020 2 178 291 48 VAL HG2 H 0.915 0.020 2 179 291 48 VAL C C 175.599 0.3 1 180 291 48 VAL CA C 62.066 0.3 1 181 291 48 VAL CB C 32.471 0.3 1 182 291 48 VAL CG1 C 20.051 0.3 1 183 291 48 VAL CG2 C 20.754 0.3 1 184 291 48 VAL N N 119.882 0.3 1 185 293 50 GLN H H 8.219 0.020 1 186 293 50 GLN HA H 4.371 0.020 1 187 293 50 GLN HB2 H 2.090 0.020 2 188 293 50 GLN HB3 H 1.913 0.020 2 189 293 50 GLN HG2 H 2.305 0.020 1 190 293 50 GLN HG3 H 2.305 0.020 1 191 293 50 GLN C C 175.295 0.3 1 192 293 50 GLN CA C 55.313 0.3 1 193 293 50 GLN CB C 29.413 0.3 1 194 293 50 GLN CG C 33.525 0.3 1 195 293 50 GLN N N 120.858 0.3 1 196 294 51 THR H H 8.127 0.020 1 197 294 51 THR HA H 4.534 0.020 1 198 294 51 THR HB H 4.097 0.020 1 199 294 51 THR HG2 H 1.214 0.020 1 200 294 51 THR C C 181.951 0.3 1 201 294 51 THR CA C 59.620 0.3 1 202 294 51 THR CB C 69.456 0.3 1 203 294 51 THR CG2 C 21.134 0.3 1 204 294 51 THR N N 118.395 0.3 1 205 297 54 PRO HA H 4.379 0.020 1 206 297 54 PRO HB2 H 2.259 0.020 2 207 297 54 PRO HB3 H 1.888 0.020 2 208 297 54 PRO HG2 H 1.999 0.020 1 209 297 54 PRO HG3 H 1.999 0.020 1 210 297 54 PRO HD2 H 3.774 0.020 2 211 297 54 PRO HD3 H 3.618 0.020 2 212 297 54 PRO CA C 62.753 0.3 1 213 297 54 PRO CB C 31.574 0.3 1 214 297 54 PRO CG C 27.043 0.3 1 215 297 54 PRO CD C 50.055 0.3 1 216 298 55 GLU H H 8.445 0.020 1 217 298 55 GLU HA H 4.229 0.020 1 218 298 55 GLU HB2 H 1.948 0.020 2 219 298 55 GLU HB3 H 2.045 0.020 2 220 298 55 GLU HG2 H 2.305 0.020 1 221 298 55 GLU HG3 H 2.305 0.020 1 222 298 55 GLU C C 176.759 0.3 1 223 298 55 GLU CA C 56.553 0.3 1 224 298 55 GLU CB C 29.615 0.3 1 225 298 55 GLU CG C 35.203 0.3 1 226 298 55 GLU N N 120.550 0.3 1 227 299 56 GLY H H 8.256 0.020 1 228 299 56 GLY HA2 H 3.929 0.020 1 229 299 56 GLY HA3 H 3.929 0.020 1 230 299 56 GLY C C 173.761 0.3 1 231 299 56 GLY CA C 44.905 0.3 1 232 299 56 GLY N N 109.534 0.3 1 233 300 57 GLU H H 8.126 0.020 1 234 300 57 GLU HA H 4.251 0.020 1 235 300 57 GLU HB2 H 2.025 0.020 2 236 300 57 GLU HB3 H 1.911 0.020 2 237 300 57 GLU HG2 H 2.244 0.020 1 238 300 57 GLU HG3 H 2.244 0.020 1 239 300 57 GLU C C 176.056 0.3 1 240 300 57 GLU CA C 56.208 0.3 1 241 300 57 GLU CB C 29.751 0.3 1 242 300 57 GLU CG C 35.175 0.3 1 243 300 57 GLU N N 120.654 0.3 1 244 301 58 LYS H H 8.201 0.020 1 245 301 58 LYS HA H 4.273 0.020 1 246 301 58 LYS HB2 H 1.710 0.020 2 247 301 58 LYS HB3 H 1.787 0.020 2 248 301 58 LYS HG2 H 1.369 0.020 2 249 301 58 LYS HG3 H 1.411 0.020 2 250 301 58 LYS HD2 H 1.648 0.020 1 251 301 58 LYS HD3 H 1.648 0.020 1 252 301 58 LYS HE2 H 2.966 0.020 1 253 301 58 LYS HE3 H 2.966 0.020 1 254 301 58 LYS C C 176.035 0.3 1 255 301 58 LYS CA C 55.770 0.3 1 256 301 58 LYS CB C 32.509 0.3 1 257 301 58 LYS CG C 24.390 0.3 1 258 301 58 LYS CD C 28.696 0.3 1 259 301 58 LYS CE C 41.850 0.3 1 260 301 58 LYS N N 122.237 0.3 1 261 302 59 LEU H H 8.087 0.020 1 262 302 59 LEU HA H 4.240 0.020 1 263 302 59 LEU HB2 H 1.559 0.020 2 264 302 59 LEU HB3 H 1.459 0.020 2 265 302 59 LEU HG H 1.513 0.020 1 266 302 59 LEU HD1 H 0.874 0.020 2 267 302 59 LEU HD2 H 0.815 0.020 2 268 302 59 LEU C C 176.785 0.3 1 269 302 59 LEU CA C 54.889 0.3 1 270 302 59 LEU CB C 42.059 0.3 1 271 302 59 LEU CG C 26.648 0.3 1 272 302 59 LEU CD1 C 24.421 0.3 1 273 302 59 LEU CD2 C 23.141 0.3 1 274 302 59 LEU N N 122.847 0.3 1 275 303 60 HIS H H 8.316 0.020 1 276 303 60 HIS HA H 4.708 0.020 1 277 303 60 HIS HB2 H 3.269 0.020 2 278 303 60 HIS HB3 H 3.170 0.020 2 279 303 60 HIS HD2 H 7.266 0.020 1 280 303 60 HIS HE1 H 8.552 0.020 1 281 303 60 HIS C C 174.044 0.3 1 282 303 60 HIS CA C 54.838 0.3 1 283 303 60 HIS CB C 28.770 0.3 1 284 303 60 HIS CD2 C 119.962 0.3 1 285 303 60 HIS CE1 C 136.253 0.3 1 286 303 60 HIS N N 119.367 0.3 1 287 304 61 SER H H 8.214 0.020 1 288 304 61 SER HA H 4.436 0.020 1 289 304 61 SER HB2 H 3.827 0.020 1 290 304 61 SER HB3 H 3.827 0.020 1 291 304 61 SER C C 173.914 0.3 1 292 304 61 SER CA C 57.905 0.3 1 293 304 61 SER CB C 63.652 0.3 1 294 304 61 SER N N 117.251 0.3 1 295 305 62 ASP H H 8.412 0.020 1 296 305 62 ASP HA H 4.653 0.020 1 297 305 62 ASP HB2 H 2.728 0.020 2 298 305 62 ASP HB3 H 2.665 0.020 2 299 305 62 ASP C C 175.828 0.3 1 300 305 62 ASP CA C 54.120 0.3 1 301 305 62 ASP CB C 40.663 0.3 1 302 305 62 ASP N N 122.714 0.3 1 303 306 63 SER H H 8.170 0.020 1 304 306 63 SER HA H 4.425 0.020 1 305 306 63 SER HB2 H 3.870 0.020 1 306 306 63 SER HB3 H 3.870 0.020 1 307 306 63 SER C C 174.610 0.3 1 308 306 63 SER CA C 58.329 0.3 1 309 306 63 SER CB C 63.652 0.3 1 310 306 63 SER N N 115.536 0.3 1 311 307 64 GLY H H 8.302 0.020 1 312 307 64 GLY HA2 H 3.936 0.020 1 313 307 64 GLY HA3 H 3.936 0.020 1 314 307 64 GLY C C 172.805 0.3 1 315 307 64 GLY CA C 45.199 0.3 1 316 307 64 GLY N N 111.167 0.3 1 317 308 65 ILE H H 7.424 0.020 1 318 308 65 ILE HA H 4.088 0.020 1 319 308 65 ILE HB H 1.810 0.020 1 320 308 65 ILE HG12 H 1.365 0.020 2 321 308 65 ILE HG13 H 1.078 0.020 2 322 308 65 ILE HG2 H 0.853 0.020 1 323 308 65 ILE HD1 H 0.829 0.020 1 324 308 65 ILE C C 180.374 0.3 1 325 308 65 ILE CA C 62.426 0.3 1 326 308 65 ILE CB C 39.263 0.3 1 327 308 65 ILE CG1 C 26.862 0.3 1 328 308 65 ILE CG2 C 17.697 0.3 1 329 308 65 ILE CD1 C 13.223 0.3 1 330 308 65 ILE N N 123.672 0.3 1 stop_ save_