data_25647 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Backbone and sidechain chemical shift assignment of rat p75NTR transmembrane and intracellular juxtamembrane domains in DPC micelles ; _BMRB_accession_number 25647 _BMRB_flat_file_name bmr25647.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" 338 "13C chemical shifts" 245 "15N chemical shifts" 61 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 p75-TMICD/LPN 25648 p75-TMDCD/LPN 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/DPC _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label p75-TMDCD $p75-TMDCD stop_ _System_molecular_weight 31000 _System_physical_state native _System_oligomer_state ? _System_paramagnetic no _System_thiol_state . _Database_query_date . _Details 'P75-TMDCD in DPC micelles' 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 25648 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 . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $p75-TMDCD 0.5 mM '[U-99% 13C; U-99% 15N]' DPC 20 mM '[U-99% 2H]' '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_ save_3D_HCCH-TOCSY_10 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HCCH-TOCSY' _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 6.5 . 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 8.019 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 113.829 0.3 1 10 246 3 ARG H H 8.323 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 122.448 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 45.093 0.3 1 30 247 4 GLY N N 109.485 0.3 1 31 248 5 THR H H 7.998 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 113.235 0.3 1 41 249 6 THR H H 8.073 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 114.215 0.3 1 51 250 7 ASP H H 8.199 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 121.659 0.3 1 59 251 8 ASN H H 8.186 0.020 1 60 251 8 ASN HA H 4.648 0.020 1 61 251 8 ASN HB2 H 2.973 0.020 2 62 251 8 ASN HB3 H 2.806 0.020 2 63 251 8 ASN HD21 H 7.564 0.020 1 64 251 8 ASN HD22 H 6.844 0.020 1 65 251 8 ASN C C 174.816 0.3 1 66 251 8 ASN CA C 53.127 0.3 1 67 251 8 ASN CB C 38.391 0.3 1 68 251 8 ASN N N 117.941 0.3 1 69 251 8 ASN ND2 N 112.152 0.3 1 70 252 9 LEU H H 8.296 0.020 1 71 252 9 LEU HA H 4.181 0.020 1 72 252 9 LEU HB2 H 1.620 0.020 2 73 252 9 LEU HB3 H 1.247 0.020 2 74 252 9 LEU HG H 1.585 0.020 1 75 252 9 LEU HD1 H 0.909 0.020 2 76 252 9 LEU HD2 H 0.773 0.020 2 77 252 9 LEU C C 177.100 0.3 1 78 252 9 LEU CA C 55.299 0.3 1 79 252 9 LEU CB C 42.183 0.3 1 80 252 9 LEU CG C 26.747 0.3 1 81 252 9 LEU CD1 C 25.081 0.3 1 82 252 9 LEU CD2 C 23.131 0.3 1 83 252 9 LEU N N 120.743 0.3 1 84 253 10 ILE H H 8.021 0.020 1 85 253 10 ILE HA H 4.169 0.020 1 86 253 10 ILE HB H 2.168 0.020 1 87 253 10 ILE HG12 H 1.696 0.020 2 88 253 10 ILE HG13 H 1.267 0.020 2 89 253 10 ILE HG2 H 0.921 0.020 1 90 253 10 ILE HD1 H 0.930 0.020 1 91 253 10 ILE CA C 64.920 0.3 1 92 253 10 ILE CB C 35.229 0.3 1 93 253 10 ILE CG1 C 28.976 0.3 1 94 253 10 ILE CG2 C 17.695 0.3 1 95 253 10 ILE CD1 C 12.063 0.3 1 96 253 10 ILE N N 119.760 0.3 1 97 254 11 PRO HA H 4.380 0.020 1 98 254 11 PRO HB2 H 2.490 0.020 2 99 254 11 PRO HB3 H 1.879 0.020 2 100 254 11 PRO HG2 H 2.115 0.020 2 101 254 11 PRO HG3 H 1.934 0.020 2 102 254 11 PRO HD2 H 3.719 0.020 2 103 254 11 PRO HD3 H 3.567 0.020 2 104 254 11 PRO CA C 64.946 0.3 1 105 254 11 PRO CB C 31.591 0.3 1 106 254 11 PRO CG C 28.063 0.3 1 107 254 11 PRO CD C 49.798 0.3 1 108 255 12 VAL H H 7.392 0.020 1 109 255 12 VAL HA H 3.670 0.020 1 110 255 12 VAL HB H 2.154 0.020 1 111 255 12 VAL HG1 H 0.987 0.020 2 112 255 12 VAL HG2 H 0.843 0.020 2 113 255 12 VAL CA C 65.797 0.3 1 114 255 12 VAL CB C 31.037 0.3 1 115 255 12 VAL CG1 C 22.198 0.3 1 116 255 12 VAL CG2 C 20.707 0.3 1 117 255 12 VAL N N 118.422 0.3 1 118 256 13 TYR H H 8.110 0.020 1 119 256 13 TYR HA H 4.371 0.020 1 120 256 13 TYR HB2 H 3.079 0.020 1 121 256 13 TYR HB3 H 3.079 0.020 1 122 256 13 TYR HD1 H 6.901 0.020 1 123 256 13 TYR HD2 H 6.901 0.020 1 124 256 13 TYR HE1 H 6.718 0.020 1 125 256 13 TYR HE2 H 6.718 0.020 1 126 256 13 TYR C C 177.883 0.3 1 127 256 13 TYR CA C 59.373 0.3 1 128 256 13 TYR CB C 36.999 0.3 1 129 256 13 TYR CD1 C 131.052 0.3 1 130 256 13 TYR CE1 C 117.974 0.3 1 131 256 13 TYR N N 118.698 0.3 1 132 257 14 CYS H H 8.344 0.020 1 133 257 14 CYS HA H 4.050 0.020 1 134 257 14 CYS HB2 H 3.017 0.020 2 135 257 14 CYS HB3 H 2.669 0.020 2 136 257 14 CYS C C 175.298 0.3 1 137 257 14 CYS CA C 59.085 0.3 1 138 257 14 CYS CB C 41.529 0.3 1 139 257 14 CYS N N 115.102 0.3 1 140 258 15 SER H H 7.764 0.020 1 141 258 15 SER HA H 4.056 0.020 1 142 258 15 SER HB2 H 3.703 0.020 1 143 258 15 SER HB3 H 3.703 0.020 1 144 258 15 SER C C 174.566 0.3 1 145 258 15 SER CA C 62.793 0.3 1 146 258 15 SER CB C 62.565 0.3 1 147 258 15 SER N N 116.284 0.3 1 148 259 16 ILE H H 7.795 0.020 1 149 259 16 ILE HA H 3.621 0.020 1 150 259 16 ILE HB H 1.949 0.020 1 151 259 16 ILE HG12 H 1.880 0.020 2 152 259 16 ILE HG13 H 1.004 0.020 2 153 259 16 ILE HG2 H 0.849 0.020 1 154 259 16 ILE HD1 H 0.831 0.020 1 155 259 16 ILE C C 176.676 0.3 1 156 259 16 ILE CA C 64.905 0.3 1 157 259 16 ILE CB C 37.464 0.3 1 158 259 16 ILE CG1 C 28.813 0.3 1 159 259 16 ILE CG2 C 17.008 0.3 1 160 259 16 ILE CD1 C 13.381 0.3 1 161 259 16 ILE N N 120.768 0.3 1 162 260 17 LEU H H 7.878 0.020 1 163 260 17 LEU HA H 3.893 0.020 1 164 260 17 LEU HB2 H 1.701 0.020 1 165 260 17 LEU HG H 1.691 0.020 1 166 260 17 LEU HD1 H 0.830 0.020 2 167 260 17 LEU HD2 H 0.852 0.020 2 168 260 17 LEU C C 177.492 0.3 1 169 260 17 LEU CA C 57.952 0.3 1 170 260 17 LEU CB C 41.287 0.3 1 171 260 17 LEU CG C 26.738 0.3 1 172 260 17 LEU CD1 C 24.260 0.3 1 173 260 17 LEU CD2 C 23.755 0.3 1 174 260 17 LEU N N 118.475 0.3 1 175 261 18 ALA H H 8.177 0.020 1 176 261 18 ALA HA H 3.827 0.020 1 177 261 18 ALA HB H 1.424 0.020 1 178 261 18 ALA C C 177.731 0.3 1 179 261 18 ALA CA C 55.139 0.3 1 180 261 18 ALA CB C 17.571 0.3 1 181 261 18 ALA N N 118.794 0.3 1 182 262 19 ALA H H 7.865 0.020 1 183 262 19 ALA HA H 3.821 0.020 1 184 262 19 ALA HB H 1.411 0.020 1 185 262 19 ALA C C 178.449 0.3 1 186 262 19 ALA CA C 55.197 0.3 1 187 262 19 ALA CB C 17.629 0.3 1 188 262 19 ALA N N 118.477 0.3 1 189 263 20 VAL H H 8.049 0.020 1 190 263 20 VAL HA H 3.501 0.020 1 191 263 20 VAL HB H 2.255 0.020 1 192 263 20 VAL HG1 H 0.985 0.020 2 193 263 20 VAL HG2 H 0.820 0.020 2 194 263 20 VAL C C 176.785 0.3 1 195 263 20 VAL CA C 66.388 0.3 1 196 263 20 VAL CB C 30.971 0.3 1 197 263 20 VAL CG1 C 22.617 0.3 1 198 263 20 VAL CG2 C 20.782 0.3 1 199 263 20 VAL N N 116.304 0.3 1 200 264 21 VAL H H 8.129 0.020 1 201 264 21 VAL HA H 3.484 0.020 1 202 264 21 VAL HB H 2.160 0.020 1 203 264 21 VAL HG1 H 0.964 0.020 2 204 264 21 VAL HG2 H 0.818 0.020 2 205 264 21 VAL C C 176.959 0.3 1 206 264 21 VAL CA C 67.419 0.3 1 207 264 21 VAL CB C 30.850 0.3 1 208 264 21 VAL CG1 C 22.685 0.3 1 209 264 21 VAL CG2 C 20.870 0.3 1 210 264 21 VAL N N 118.447 0.3 1 211 265 22 VAL H H 8.363 0.020 1 212 265 22 VAL HA H 3.426 0.020 1 213 265 22 VAL HB H 2.110 0.020 1 214 265 22 VAL HG1 H 0.970 0.020 2 215 265 22 VAL HG2 H 0.814 0.020 2 216 265 22 VAL C C 177.176 0.3 1 217 265 22 VAL CA C 67.075 0.3 1 218 265 22 VAL CB C 30.619 0.3 1 219 265 22 VAL CG1 C 22.895 0.3 1 220 265 22 VAL CG2 C 20.948 0.3 1 221 265 22 VAL N N 118.070 0.3 1 222 266 23 GLY H H 8.538 0.020 1 223 266 23 GLY HA2 H 3.624 0.020 2 224 266 23 GLY HA3 H 3.539 0.020 2 225 266 23 GLY C C 174.099 0.3 1 226 266 23 GLY CA C 47.254 0.3 1 227 266 23 GLY N N 106.755 0.3 1 228 267 24 LEU H H 8.505 0.020 1 229 267 24 LEU HA H 4.154 0.020 1 230 267 24 LEU HB2 H 1.890 0.020 2 231 267 24 LEU HB3 H 1.687 0.020 2 232 267 24 LEU HG H 1.831 0.020 1 233 267 24 LEU HD1 H 0.883 0.020 2 234 267 24 LEU HD2 H 0.842 0.020 2 235 267 24 LEU C C 178.416 0.3 1 236 267 24 LEU CA C 58.118 0.3 1 237 267 24 LEU CB C 41.911 0.3 1 238 267 24 LEU CG C 26.626 0.3 1 239 267 24 LEU CD1 C 24.613 0.3 1 240 267 24 LEU CD2 C 24.124 0.3 1 241 267 24 LEU N N 121.505 0.3 1 242 268 25 VAL H H 8.357 0.020 1 243 268 25 VAL HA H 3.502 0.020 1 244 268 25 VAL HB H 2.221 0.020 1 245 268 25 VAL HG1 H 1.034 0.020 2 246 268 25 VAL HG2 H 0.883 0.020 2 247 268 25 VAL C C 176.992 0.3 1 248 268 25 VAL CA C 66.991 0.3 1 249 268 25 VAL CB C 30.729 0.3 1 250 268 25 VAL CG1 C 22.900 0.3 1 251 268 25 VAL CG2 C 21.263 0.3 1 252 268 25 VAL N N 118.387 0.3 1 253 269 26 ALA H H 8.705 0.020 1 254 269 26 ALA HA H 3.931 0.020 1 255 269 26 ALA HB H 1.478 0.020 1 256 269 26 ALA C C 178.242 0.3 1 257 269 26 ALA CA C 55.200 0.3 1 258 269 26 ALA CB C 17.648 0.3 1 259 269 26 ALA N N 121.090 0.3 1 260 270 27 TYR H H 8.553 0.020 1 261 270 27 TYR HA H 4.145 0.020 1 262 270 27 TYR HB2 H 3.307 0.020 2 263 270 27 TYR HB3 H 3.150 0.020 2 264 270 27 TYR HD1 H 6.938 0.020 1 265 270 27 TYR HD2 H 6.938 0.020 1 266 270 27 TYR HE1 H 6.755 0.020 1 267 270 27 TYR HE2 H 6.755 0.020 1 268 270 27 TYR C C 176.774 0.3 1 269 270 27 TYR CA C 61.938 0.3 1 270 270 27 TYR CB C 38.502 0.3 1 271 270 27 TYR CD1 C 132.197 0.3 1 272 270 27 TYR CE1 C 117.465 0.3 1 273 270 27 TYR N N 118.161 0.3 1 274 271 28 ILE H H 8.464 0.020 1 275 271 28 ILE HA H 3.442 0.020 1 276 271 28 ILE HB H 2.025 0.020 1 277 271 28 ILE HG12 H 2.012 0.020 2 278 271 28 ILE HG13 H 1.280 0.020 2 279 271 28 ILE HG2 H 0.883 0.020 1 280 271 28 ILE HD1 H 0.882 0.020 1 281 271 28 ILE C C 177.840 0.3 1 282 271 28 ILE CA C 64.756 0.3 1 283 271 28 ILE CB C 37.225 0.3 1 284 271 28 ILE CG1 C 28.857 0.3 1 285 271 28 ILE CG2 C 17.279 0.3 1 286 271 28 ILE CD1 C 12.854 0.3 1 287 271 28 ILE N N 118.641 0.3 1 288 272 29 ALA H H 8.793 0.020 1 289 272 29 ALA HA H 3.854 0.020 1 290 272 29 ALA HB H 1.363 0.020 1 291 272 29 ALA C C 178.699 0.3 1 292 272 29 ALA CA C 55.299 0.3 1 293 272 29 ALA CB C 17.907 0.3 1 294 272 29 ALA N N 122.104 0.3 1 295 273 30 PHE H H 8.731 0.020 1 296 273 30 PHE HA H 4.186 0.020 1 297 273 30 PHE HB2 H 3.262 0.020 2 298 273 30 PHE HB3 H 3.193 0.020 2 299 273 30 PHE HD1 H 7.163 0.020 1 300 273 30 PHE HD2 H 7.163 0.020 1 301 273 30 PHE HE1 H 7.334 0.020 1 302 273 30 PHE HE2 H 7.334 0.020 1 303 273 30 PHE HZ H 7.296 0.020 1 304 273 30 PHE C C 177.481 0.3 1 305 273 30 PHE CA C 61.364 0.3 1 306 273 30 PHE CB C 38.937 0.3 1 307 273 30 PHE CD1 C 131.469 0.3 1 308 273 30 PHE CE1 C 130.877 0.3 1 309 273 30 PHE CZ C 129.415 0.3 1 310 273 30 PHE N N 117.878 0.3 1 311 274 31 LYS H H 8.363 0.020 1 312 274 31 LYS HA H 3.861 0.020 1 313 274 31 LYS HB2 H 1.769 0.020 2 314 274 31 LYS HB3 H 1.669 0.020 2 315 274 31 LYS HG2 H 1.256 0.020 2 316 274 31 LYS HG3 H 1.182 0.020 2 317 274 31 LYS HD2 H 1.539 0.020 1 318 274 31 LYS HD3 H 1.539 0.020 1 319 274 31 LYS HE2 H 2.947 0.020 2 320 274 31 LYS HE3 H 2.829 0.020 2 321 274 31 LYS C C 179.221 0.3 1 322 274 31 LYS CA C 57.831 0.3 1 323 274 31 LYS CB C 31.037 0.3 1 324 274 31 LYS CG C 23.892 0.3 1 325 274 31 LYS CD C 27.790 0.3 1 326 274 31 LYS CE C 41.499 0.3 1 327 274 31 LYS N N 118.699 0.3 1 328 275 32 ARG H H 8.244 0.020 1 329 275 32 ARG HA H 4.131 0.020 1 330 275 32 ARG HB2 H 1.858 0.020 1 331 275 32 ARG HB3 H 1.858 0.020 1 332 275 32 ARG HG2 H 1.639 0.020 1 333 275 32 ARG HG3 H 1.639 0.020 1 334 275 32 ARG HD2 H 3.106 0.020 2 335 275 32 ARG HD3 H 3.025 0.020 2 336 275 32 ARG HE H 7.591 0.020 1 337 275 32 ARG C C 177.992 0.3 1 338 275 32 ARG CA C 57.623 0.3 1 339 275 32 ARG CB C 29.681 0.3 1 340 275 32 ARG CG C 27.162 0.3 1 341 275 32 ARG CD C 42.579 0.3 1 342 275 32 ARG N N 118.911 0.3 1 343 275 32 ARG NE N 84.292 0.3 1 344 276 33 TRP H H 8.492 0.020 1 345 276 33 TRP HA H 4.371 0.020 1 346 276 33 TRP HB2 H 3.289 0.020 1 347 276 33 TRP HB3 H 3.289 0.020 1 348 276 33 TRP HD1 H 7.388 0.020 1 349 276 33 TRP HE3 H 7.736 0.020 1 350 276 33 TRP HZ2 H 7.624 0.020 1 351 276 33 TRP HZ3 H 7.114 0.020 1 352 276 33 TRP HH2 H 7.256 0.020 1 353 276 33 TRP C C 176.935 0.3 1 354 276 33 TRP CA C 59.427 0.3 1 355 276 33 TRP CB C 28.903 0.3 1 356 276 33 TRP CD1 C 126.271 0.3 1 357 276 33 TRP CE3 C 120.530 0.3 1 358 276 33 TRP CZ2 C 114.325 0.3 1 359 276 33 TRP CZ3 C 121.129 0.3 1 360 276 33 TRP CH2 C 123.834 0.3 1 361 276 33 TRP N N 121.564 0.3 1 362 277 34 ASN H H 8.171 0.020 1 363 277 34 ASN HA H 4.274 0.020 1 364 277 34 ASN HB2 H 2.545 0.020 2 365 277 34 ASN HB3 H 2.371 0.020 2 366 277 34 ASN HD21 H 7.156 0.020 1 367 277 34 ASN HD22 H 6.468 0.020 1 368 277 34 ASN C C 175.770 0.3 1 369 277 34 ASN CA C 54.119 0.3 1 370 277 34 ASN CB C 38.987 0.3 1 371 277 34 ASN N N 116.950 0.3 1 372 277 34 ASN ND2 N 112.236 0.3 1 373 278 35 SER H H 7.767 0.020 1 374 278 35 SER HA H 4.293 0.020 1 375 278 35 SER HB2 H 3.926 0.020 1 376 278 35 SER HB3 H 3.926 0.020 1 377 278 35 SER C C 174.719 0.3 1 378 278 35 SER CA C 59.312 0.3 1 379 278 35 SER CB C 63.289 0.3 1 380 278 35 SER N N 114.670 0.3 1 381 279 36 CYS H H 7.901 0.020 1 382 279 36 CYS HA H 4.414 0.020 1 383 279 36 CYS HB2 H 2.913 0.020 1 384 279 36 CYS HB3 H 2.913 0.020 1 385 279 36 CYS N N 119.861 0.3 1 386 280 37 LYS H H 7.898 0.020 1 387 280 37 LYS HA H 4.153 0.020 1 388 280 37 LYS HB2 H 1.643 0.020 1 389 280 37 LYS HB3 H 1.643 0.020 2 390 280 37 LYS HG2 H 1.270 0.020 1 391 280 37 LYS HG3 H 1.270 0.020 1 392 280 37 LYS HD2 H 1.535 0.020 1 393 280 37 LYS HD3 H 1.535 0.020 1 394 280 37 LYS HE2 H 2.853 0.020 1 395 280 37 LYS HE3 H 2.853 0.020 1 396 280 37 LYS C C 176.328 0.3 1 397 280 37 LYS CA C 56.371 0.3 1 398 280 37 LYS CB C 32.250 0.3 1 399 280 37 LYS CG C 24.194 0.3 1 400 280 37 LYS CD C 28.608 0.3 1 401 280 37 LYS CE C 41.759 0.3 1 402 280 37 LYS N N 122.103 0.3 1 403 281 38 GLN H H 8.043 0.020 1 404 281 38 GLN HA H 4.251 0.020 1 405 281 38 GLN HB2 H 2.056 0.020 2 406 281 38 GLN HB3 H 1.935 0.020 2 407 281 38 GLN HG2 H 2.315 0.020 1 408 281 38 GLN HG3 H 2.315 0.020 1 409 281 38 GLN C C 175.491 0.3 1 410 281 38 GLN CA C 55.646 0.3 1 411 281 38 GLN CB C 29.053 0.3 1 412 281 38 GLN CG C 33.505 0.3 1 413 281 38 GLN N N 120.041 0.3 1 414 283 40 LYS H H 8.147 0.020 1 415 283 40 LYS HA H 4.273 0.020 1 416 283 40 LYS HB2 H 1.827 0.020 2 417 283 40 LYS HB3 H 1.827 0.020 1 418 283 40 LYS HG2 H 1.391 0.020 1 419 283 40 LYS HG3 H 1.391 0.020 1 420 283 40 LYS HD2 H 1.647 0.020 1 421 283 40 LYS HD3 H 1.647 0.020 1 422 283 40 LYS HE2 H 2.957 0.020 1 423 283 40 LYS HE3 H 2.957 0.020 1 424 283 40 LYS C C 176.154 0.3 1 425 283 40 LYS CA C 56.078 0.3 1 426 283 40 LYS CB C 32.523 0.3 1 427 283 40 LYS CG C 24.356 0.3 1 428 283 40 LYS N N 121.855 0.3 1 429 284 41 GLN H H 8.250 0.020 1 430 284 41 GLN HA H 4.305 0.020 1 431 284 41 GLN HB2 H 2.095 0.020 2 432 284 41 GLN HB3 H 1.984 0.020 2 433 284 41 GLN HG2 H 2.359 0.020 1 434 284 41 GLN HG3 H 2.359 0.020 1 435 284 41 GLN C C 176.143 0.3 1 436 284 41 GLN CA C 55.775 0.3 1 437 284 41 GLN CB C 29.092 0.3 1 438 284 41 GLN CG C 33.525 0.3 1 439 284 41 GLN N N 121.156 0.3 1 440 285 42 GLY H H 8.273 0.020 1 441 285 42 GLY HA2 H 3.944 0.020 1 442 285 42 GLY HA3 H 3.944 0.020 1 443 285 42 GLY C C 173.653 0.3 1 444 285 42 GLY CA C 44.959 0.3 1 445 285 42 GLY N N 110.164 0.3 1 446 286 43 ALA H H 8.092 0.020 1 447 286 43 ALA HA H 4.286 0.020 1 448 286 43 ALA HB H 1.359 0.020 1 449 286 43 ALA C C 177.296 0.3 1 450 286 43 ALA CA C 52.404 0.3 1 451 286 43 ALA CB C 18.868 0.3 1 452 286 43 ALA N N 123.754 0.3 1 453 288 45 SER H H 8.036 0.020 1 454 288 45 SER HA H 4.400 0.020 1 455 288 45 SER HB2 H 3.821 0.020 1 456 288 45 SER HB3 H 3.821 0.020 1 457 288 45 SER C C 173.599 0.3 1 458 288 45 SER CA C 58.015 0.3 1 459 288 45 SER CB C 63.542 0.3 1 460 288 45 SER N N 115.890 0.3 1 461 289 46 ARG H H 8.101 0.020 1 462 289 46 ARG HA H 4.621 0.020 1 463 289 46 ARG HB2 H 1.804 0.020 2 464 289 46 ARG HB3 H 1.708 0.020 2 465 289 46 ARG HG2 H 1.637 0.020 1 466 289 46 ARG HG3 H 1.637 0.020 1 467 289 46 ARG HD2 H 3.179 0.020 1 468 289 46 ARG HD3 H 3.179 0.020 1 469 289 46 ARG HE H 7.124 0.020 1 470 289 46 ARG C C 173.707 0.3 1 471 289 46 ARG CA C 53.630 0.3 1 472 289 46 ARG CB C 30.018 0.3 1 473 289 46 ARG CG C 26.462 0.3 1 474 289 46 ARG CD C 43.087 0.3 1 475 289 46 ARG N N 123.418 0.3 1 476 289 46 ARG NE N 85.203 0.3 1 477 290 47 PRO HA H 4.437 0.020 1 478 290 47 PRO HB2 H 2.258 0.020 2 479 290 47 PRO HB3 H 1.879 0.020 2 480 290 47 PRO HG2 H 1.995 0.020 1 481 290 47 PRO HG3 H 1.995 0.020 1 482 290 47 PRO HD2 H 3.781 0.020 2 483 290 47 PRO HD3 H 3.583 0.020 2 484 290 47 PRO CA C 62.738 0.3 1 485 290 47 PRO CB C 31.666 0.3 1 486 290 47 PRO CG C 27.067 0.3 1 487 290 47 PRO CD C 50.266 0.3 1 488 291 48 VAL H H 8.098 0.020 1 489 291 48 VAL HA H 4.062 0.020 1 490 291 48 VAL HB H 2.045 0.020 1 491 291 48 VAL HG1 H 0.928 0.020 2 492 291 48 VAL HG2 H 0.915 0.020 2 493 291 48 VAL C C 175.599 0.3 1 494 291 48 VAL CA C 62.066 0.3 1 495 291 48 VAL CB C 32.471 0.3 1 496 291 48 VAL CG1 C 20.051 0.3 1 497 291 48 VAL CG2 C 20.754 0.3 1 498 291 48 VAL N N 119.818 0.3 1 499 293 50 GLN H H 8.197 0.020 1 500 293 50 GLN HA H 4.371 0.020 1 501 293 50 GLN HB2 H 2.090 0.020 2 502 293 50 GLN HB3 H 1.913 0.020 2 503 293 50 GLN HG2 H 2.305 0.020 1 504 293 50 GLN HG3 H 2.305 0.020 1 505 293 50 GLN C C 175.295 0.3 1 506 293 50 GLN CA C 55.476 0.3 1 507 293 50 GLN CB C 29.413 0.3 1 508 293 50 GLN CG C 33.525 0.3 1 509 293 50 GLN N N 120.911 0.3 1 510 294 51 THR H H 8.107 0.020 1 511 294 51 THR HA H 4.534 0.020 1 512 294 51 THR HB H 4.097 0.020 1 513 294 51 THR HG2 H 1.214 0.020 1 514 294 51 THR C C 171.951 0.3 1 515 294 51 THR CA C 59.620 0.3 1 516 294 51 THR CB C 69.456 0.3 1 517 294 51 THR CG2 C 21.134 0.3 1 518 294 51 THR N N 118.362 0.3 1 519 297 54 PRO HA H 4.379 0.020 1 520 297 54 PRO HB2 H 2.259 0.020 2 521 297 54 PRO HB3 H 1.888 0.020 2 522 297 54 PRO HG2 H 1.999 0.020 1 523 297 54 PRO HG3 H 1.999 0.020 1 524 297 54 PRO HD2 H 3.774 0.020 2 525 297 54 PRO HD3 H 3.618 0.020 2 526 297 54 PRO CA C 62.837 0.3 1 527 297 54 PRO CB C 31.574 0.3 1 528 297 54 PRO CG C 27.043 0.3 1 529 297 54 PRO CD C 50.055 0.3 1 530 298 55 GLU H H 8.396 0.020 1 531 298 55 GLU HA H 4.229 0.020 1 532 298 55 GLU HB2 H 1.948 0.020 2 533 298 55 GLU HB3 H 2.045 0.020 2 534 298 55 GLU HG2 H 2.305 0.020 1 535 298 55 GLU HG3 H 2.305 0.020 1 536 298 55 GLU C C 176.698 0.3 1 537 298 55 GLU CA C 56.445 0.3 1 538 298 55 GLU CB C 29.615 0.3 1 539 298 55 GLU CG C 35.203 0.3 1 540 298 55 GLU N N 120.435 0.3 1 541 299 56 GLY H H 8.248 0.020 1 542 299 56 GLY HA2 H 3.929 0.020 1 543 299 56 GLY HA3 H 3.929 0.020 1 544 299 56 GLY C C 173.761 0.3 1 545 299 56 GLY CA C 45.049 0.3 1 546 299 56 GLY N N 109.485 0.3 1 547 300 57 GLU H H 8.100 0.020 1 548 300 57 GLU HA H 4.251 0.020 1 549 300 57 GLU HB2 H 2.025 0.020 2 550 300 57 GLU HB3 H 1.911 0.020 2 551 300 57 GLU HG2 H 2.244 0.020 1 552 300 57 GLU HG3 H 2.244 0.020 1 553 300 57 GLU C C 176.056 0.3 1 554 300 57 GLU CA C 56.208 0.3 1 555 300 57 GLU CB C 29.751 0.3 1 556 300 57 GLU CG C 35.175 0.3 1 557 300 57 GLU N N 120.510 0.3 1 558 301 58 LYS H H 8.174 0.020 1 559 301 58 LYS HA H 4.273 0.020 1 560 301 58 LYS HB2 H 1.710 0.020 2 561 301 58 LYS HB3 H 1.787 0.020 2 562 301 58 LYS HG2 H 1.369 0.020 2 563 301 58 LYS HG3 H 1.411 0.020 2 564 301 58 LYS HD2 H 1.648 0.020 1 565 301 58 LYS HD3 H 1.648 0.020 1 566 301 58 LYS HE2 H 2.966 0.020 1 567 301 58 LYS HE3 H 2.966 0.020 1 568 301 58 LYS C C 176.035 0.3 1 569 301 58 LYS CA C 55.914 0.3 1 570 301 58 LYS CB C 32.509 0.3 1 571 301 58 LYS CG C 24.390 0.3 1 572 301 58 LYS CD C 28.696 0.3 1 573 301 58 LYS CE C 41.850 0.3 1 574 301 58 LYS N N 122.124 0.3 1 575 302 59 LEU H H 8.040 0.020 1 576 302 59 LEU HA H 4.240 0.020 1 577 302 59 LEU HB2 H 1.559 0.020 2 578 302 59 LEU HB3 H 1.459 0.020 2 579 302 59 LEU HG H 1.513 0.020 1 580 302 59 LEU HD1 H 0.874 0.020 2 581 302 59 LEU HD2 H 0.815 0.020 2 582 302 59 LEU C C 176.785 0.3 1 583 302 59 LEU CA C 55.001 0.3 1 584 302 59 LEU CB C 42.059 0.3 1 585 302 59 LEU CG C 26.648 0.3 1 586 302 59 LEU CD1 C 24.421 0.3 1 587 302 59 LEU CD2 C 23.141 0.3 1 588 302 59 LEU N N 122.582 0.3 1 589 303 60 HIS H H 8.344 0.020 1 590 303 60 HIS HA H 4.708 0.020 1 591 303 60 HIS HB2 H 3.269 0.020 2 592 303 60 HIS HB3 H 3.170 0.020 2 593 303 60 HIS HD2 H 7.266 0.020 1 594 303 60 HIS HE1 H 8.552 0.020 1 595 303 60 HIS C C 174.044 0.3 1 596 303 60 HIS CA C 54.838 0.3 1 597 303 60 HIS CB C 28.770 0.3 1 598 303 60 HIS CD2 C 119.962 0.3 1 599 303 60 HIS CE1 C 136.253 0.3 1 600 303 60 HIS N N 118.836 0.3 1 601 304 61 SER H H 8.244 0.020 1 602 304 61 SER HA H 4.436 0.020 1 603 304 61 SER HB2 H 3.827 0.020 1 604 304 61 SER HB3 H 3.827 0.020 1 605 304 61 SER C C 173.914 0.3 1 606 304 61 SER CA C 57.905 0.3 1 607 304 61 SER CB C 63.652 0.3 1 608 304 61 SER N N 117.316 0.3 1 609 305 62 ASP H H 8.413 0.020 1 610 305 62 ASP HA H 4.653 0.020 1 611 305 62 ASP HB2 H 2.728 0.020 2 612 305 62 ASP HB3 H 2.665 0.020 2 613 305 62 ASP C C 175.828 0.3 1 614 305 62 ASP CA C 54.120 0.3 1 615 305 62 ASP CB C 40.663 0.3 1 616 305 62 ASP N N 122.572 0.3 1 617 306 63 SER H H 8.151 0.020 1 618 306 63 SER HA H 4.425 0.020 1 619 306 63 SER HB2 H 3.870 0.020 1 620 306 63 SER HB3 H 3.870 0.020 1 621 306 63 SER C C 174.610 0.3 1 622 306 63 SER CA C 58.329 0.3 1 623 306 63 SER CB C 63.652 0.3 1 624 306 63 SER N N 115.418 0.3 1 625 307 64 GLY H H 8.274 0.020 1 626 307 64 GLY HA2 H 3.936 0.020 1 627 307 64 GLY HA3 H 3.936 0.020 1 628 307 64 GLY C C 172.805 0.3 1 629 307 64 GLY CA C 45.245 0.3 1 630 307 64 GLY N N 111.136 0.3 1 631 308 65 ILE H H 7.439 0.020 1 632 308 65 ILE HA H 4.088 0.020 1 633 308 65 ILE HB H 1.810 0.020 1 634 308 65 ILE HG12 H 1.365 0.020 2 635 308 65 ILE HG13 H 1.078 0.020 2 636 308 65 ILE HG2 H 0.853 0.020 1 637 308 65 ILE HD1 H 0.829 0.020 1 638 308 65 ILE C C 180.374 0.3 1 639 308 65 ILE CA C 62.277 0.3 1 640 308 65 ILE CB C 39.263 0.3 1 641 308 65 ILE CG1 C 26.862 0.3 1 642 308 65 ILE CG2 C 17.697 0.3 1 643 308 65 ILE CD1 C 13.223 0.3 1 644 308 65 ILE N N 123.434 0.3 1 stop_ save_