data_5155 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; NMR structure of the UBX domain from P47 (energy minimised average) ; _BMRB_accession_number 5155 _BMRB_flat_file_name bmr5155.str _Entry_type original _Submission_date 2001-09-17 _Accession_date 2001-09-18 _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 Yuan X. M. . 2 Shaw A. . . 3 Zhang X. D. . 4 Kondo H. . . 5 Lally J. . . 6 Freemont P. S. . 7 Matthews S. J. . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 479 "13C chemical shifts" 174 "15N chemical shifts" 86 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2001-10-18 original author . stop_ _Original_release_date 2001-10-18 save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title ; Solution Structure and Interaction Surface of the C-terminal Domain from p47: A Major p97-cofactor Involved in SNARE Disassembly ; _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 11478859 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Yuan X. M. . 2 Shaw A. . . 3 Zhang X. D. . 4 Kondo H. . . 5 Lally J. . . 6 Freemont P. S. . 7 Matthews S. J. . stop_ _Journal_abbreviation 'J. Mol. Biol.' _Journal_volume 311 _Journal_issue . _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 255 _Page_last 263 _Year 2001 _Details . loop_ _Keyword 'ubiquitin superfold' UBX 'unusual n-terminal feature' stop_ save_ ################################## # Molecular system description # ################################## save_system_p47 _Saveframe_category molecular_system _Mol_system_name 'p47 protein' _Abbreviation_common p47 _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label 'p47 protein' $p47 stop_ _System_molecular_weight . _System_physical_state native _System_oligomer_state monomer _System_paramagnetic no _System_thiol_state 'not present' loop_ _Biological_function 'cofactor of the p97-regulated t-t-SNARE disassembly' stop_ _Database_query_date . _Details . save_ ######################## # Monomeric polymers # ######################## save_p47 _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common p47 _Abbreviation_common p47 _Molecular_mass . _Mol_thiol_state 'not present' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 89 _Mol_residue_sequence ; KASSSILINEAEPTTNIQIR LADGGRLVQKFNHSHRISDI RLFIVDARPAMAATSFVLMT TFPNKELADENQTLKEANLL NAVIVQRLT ; loop_ _Residue_seq_code _Residue_label 1 LYS 2 ALA 3 SER 4 SER 5 SER 6 ILE 7 LEU 8 ILE 9 ASN 10 GLU 11 ALA 12 GLU 13 PRO 14 THR 15 THR 16 ASN 17 ILE 18 GLN 19 ILE 20 ARG 21 LEU 22 ALA 23 ASP 24 GLY 25 GLY 26 ARG 27 LEU 28 VAL 29 GLN 30 LYS 31 PHE 32 ASN 33 HIS 34 SER 35 HIS 36 ARG 37 ILE 38 SER 39 ASP 40 ILE 41 ARG 42 LEU 43 PHE 44 ILE 45 VAL 46 ASP 47 ALA 48 ARG 49 PRO 50 ALA 51 MET 52 ALA 53 ALA 54 THR 55 SER 56 PHE 57 VAL 58 LEU 59 MET 60 THR 61 THR 62 PHE 63 PRO 64 ASN 65 LYS 66 GLU 67 LEU 68 ALA 69 ASP 70 GLU 71 ASN 72 GLN 73 THR 74 LEU 75 LYS 76 GLU 77 ALA 78 ASN 79 LEU 80 LEU 81 ASN 82 ALA 83 VAL 84 ILE 85 VAL 86 GLN 87 ARG 88 LEU 89 THR stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2015-01-28 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 5876 p47 100.00 200 100.00 100.00 1.15e-54 PDB 1I42 "Nmr Structure Of The Ubx Domain From P47" 100.00 89 100.00 100.00 3.48e-56 PDB 1JRU "Nmr Structure Of The Ubx Domain From P47 (Energy Minimised Average)" 100.00 89 100.00 100.00 3.48e-56 PDB 1S3S "Crystal Structure Of Aaa Atpase P97VCP ND1 IN COMPLEX WITH P47 C" 100.00 127 100.00 100.00 4.95e-56 DBJ BAA21659 "p47 [Rattus norvegicus]" 100.00 370 100.00 100.00 2.10e-53 DBJ BAB28604 "unnamed protein product [Mus musculus]" 100.00 370 100.00 100.00 2.26e-53 DBJ BAE23234 "unnamed protein product [Mus musculus]" 100.00 372 100.00 100.00 2.39e-53 EMBL CAA71742 "XY40 protein [Rattus norvegicus]" 100.00 370 100.00 100.00 2.10e-53 GB AAH50936 "NSFL1 (p97) cofactor (p47) [Mus musculus]" 100.00 372 100.00 100.00 2.39e-53 GB AAH72464 "NSFL1 (p97) cofactor (p47) [Rattus norvegicus]" 100.00 370 100.00 100.00 2.10e-53 GB AAI06102 "Nsfl1c protein, partial [Mus musculus]" 100.00 369 100.00 100.00 2.14e-53 GB EDL05910 "mCG13192, isoform CRA_a [Mus musculus]" 100.00 410 100.00 100.00 3.63e-53 GB EDL05911 "mCG13192, isoform CRA_b [Mus musculus]" 100.00 314 100.00 100.00 1.07e-53 REF NP_001278003 "NSFL1 cofactor p47 isoform b [Mus musculus]" 100.00 370 100.00 100.00 2.26e-53 REF NP_114187 "NSFL1 cofactor p47 [Rattus norvegicus]" 100.00 370 100.00 100.00 2.10e-53 REF NP_938085 "NSFL1 cofactor p47 isoform a [Mus musculus]" 100.00 372 100.00 100.00 2.39e-53 REF XP_003500001 "PREDICTED: NSFL1 cofactor p47 isoform X1 [Cricetulus griseus]" 100.00 372 100.00 100.00 2.44e-53 REF XP_003500002 "PREDICTED: NSFL1 cofactor p47 isoform X2 [Cricetulus griseus]" 100.00 370 100.00 100.00 2.33e-53 SP O35987 "RecName: Full=NSFL1 cofactor p47; AltName: Full=XY body-associated protein XY40; AltName: Full=p97 cofactor p47 [Rattus norvegi" 100.00 370 100.00 100.00 2.10e-53 SP Q9CZ44 "RecName: Full=NSFL1 cofactor p47; AltName: Full=p97 cofactor p47 [Mus musculus]" 100.00 370 100.00 100.00 2.26e-53 stop_ save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species $p47 '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 $p47 'recombinant technology' . . . . . 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 $p47 1 mM '[U-13C; U-15N]' NaAc 20 mM . H2O 90 % . D2O 10 % . stop_ save_ ############################ # Computer software used # ############################ save_AURELIA _Saveframe_category software _Name AURELIA _Version 2.1.5 loop_ _Task 'data analysis' stop_ _Details Bruker save_ save_NMRPipe _Saveframe_category software _Name NMRPipe _Version . loop_ _Task processing stop_ _Details Delaglio save_ save_XWINNMR _Saveframe_category software _Name XWINNMR _Version . loop_ _Task collection stop_ _Details Bruker save_ save_NMRView _Saveframe_category software _Name NMRView _Version 3.1.1 loop_ _Task 'data analysis' stop_ _Details Johnson save_ save_X-PLOR _Saveframe_category software _Name X-PLOR _Version 3.853 loop_ _Task 'structure solution' refinement stop_ _Details Brunger save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model DRX _Field_strength 500 _Details . save_ ############################# # NMR applied experiments # ############################# save_HNCA_1 _Saveframe_category NMR_applied_experiment _Experiment_name HNCA _Sample_label . save_ save_HN(CO)CA_2 _Saveframe_category NMR_applied_experiment _Experiment_name HN(CO)CA _Sample_label . save_ save_HNCACB_3 _Saveframe_category NMR_applied_experiment _Experiment_name HNCACB _Sample_label . save_ save_CBCA(CO)NH_4 _Saveframe_category NMR_applied_experiment _Experiment_name CBCA(CO)NH _Sample_label . save_ save_HBHA(CBCACO)NH_5 _Saveframe_category NMR_applied_experiment _Experiment_name HBHA(CBCACO)NH _Sample_label . save_ save_3D_15N-separated_NOESY_6 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 15N-separated NOESY' _Sample_label . save_ save_NMR_spec_expt__0_1 _Saveframe_category NMR_applied_experiment _Experiment_name HNCA _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_2 _Saveframe_category NMR_applied_experiment _Experiment_name HN(CO)CA _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_3 _Saveframe_category NMR_applied_experiment _Experiment_name HNCACB _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_4 _Saveframe_category NMR_applied_experiment _Experiment_name CBCA(CO)NH _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_5 _Saveframe_category NMR_applied_experiment _Experiment_name HBHA(CBCACO)NH _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_6 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 15N-separated NOESY' _BMRB_pulse_sequence_accession_number . _Details . save_ ####################### # Sample conditions # ####################### save_sample_cond_1 _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units pH 5.2 0.1 n/a temperature 302 0.5 K pressure 1 . atm stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference _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 TSP H 1 'methyl protons' ppm 0.00 external direct cylindrical external parallel 1.0 TSP C 13 'methyl protons' ppm 0.00 external indirect . . . 0.251449530 TSP N 15 'methyl protons' ppm 0.00 external 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_chemical_shift_set_1 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Sample_label $sample_1 stop_ _Sample_conditions_label $sample_cond_1 _Chem_shift_reference_set_label $chemical_shift_reference _Mol_system_component_name 'p47 protein' _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 . 1 LYS N N 120.220 0.01 1 2 . 1 LYS CA C 57.295 0.01 1 3 . 1 LYS HA H 4.182 0.01 1 4 . 1 LYS CB C 31.812 0.01 1 5 . 1 LYS HB3 H 1.902 0.01 1 6 . 1 LYS HB2 H 1.902 0.01 1 7 . 1 LYS HG3 H 1.454 0.01 1 8 . 1 LYS HG2 H 1.454 0.01 1 9 . 2 ALA N N 124.624 0.01 1 10 . 2 ALA H H 8.390 0.01 1 11 . 2 ALA CA C 53.282 0.01 1 12 . 2 ALA HA H 4.245 0.01 1 13 . 2 ALA CB C 18.805 0.01 1 14 . 2 ALA HB H 1.333 0.01 1 15 . 3 SER N N 113.833 0.01 1 16 . 3 SER H H 8.310 0.01 1 17 . 3 SER CA C 59.251 0.01 1 18 . 3 SER HA H 4.483 0.01 1 19 . 3 SER CB C 62.993 0.01 1 20 . 3 SER HB3 H 4.032 0.01 2 21 . 3 SER HB2 H 3.949 0.01 2 22 . 4 SER N N 117.136 0.01 1 23 . 4 SER H H 7.950 0.01 1 24 . 4 SER CA C 59.875 0.01 1 25 . 4 SER HA H 4.338 0.01 1 26 . 4 SER CB C 63.082 0.01 1 27 . 4 SER HB3 H 4.000 0.01 1 28 . 4 SER HB2 H 4.000 0.01 1 29 . 5 SER N N 116.476 0.01 1 30 . 5 SER H H 8.250 0.01 1 31 . 5 SER CA C 59.073 0.01 1 32 . 5 SER HA H 4.411 0.01 1 33 . 5 SER CB C 63.260 0.01 1 34 . 5 SER HB3 H 3.971 0.01 1 35 . 5 SER HB2 H 3.971 0.01 1 36 . 6 ILE N N 122.422 0.01 1 37 . 6 ILE H H 7.470 0.01 1 38 . 6 ILE CA C 59.429 0.01 1 39 . 6 ILE HA H 4.065 0.01 1 40 . 6 ILE CB C 36.533 0.01 1 41 . 6 ILE HB H 1.794 0.01 1 42 . 6 ILE HG13 H 1.348 0.01 1 43 . 6 ILE HG12 H 1.348 0.01 1 44 . 6 ILE HD1 H 0.484 0.01 1 45 . 6 ILE HG2 H 1.131 0.01 1 46 . 7 LEU N N 130.790 0.01 1 47 . 7 LEU H H 8.690 0.01 1 48 . 7 LEU CA C 53.817 0.01 1 49 . 7 LEU HA H 4.483 0.01 1 50 . 7 LEU CB C 41.433 0.01 1 51 . 7 LEU HB3 H 1.633 0.01 1 52 . 7 LEU HB2 H 1.633 0.01 1 53 . 7 LEU HG H 1.866 0.01 1 54 . 7 LEU HD1 H 0.864 0.01 2 55 . 7 LEU HD2 H 0.945 0.01 2 56 . 8 ILE N N 125.945 0.01 1 57 . 8 ILE H H 8.420 0.01 1 58 . 8 ILE CA C 58.182 0.01 1 59 . 8 ILE HA H 4.257 0.01 1 60 . 8 ILE CB C 37.781 0.01 1 61 . 8 ILE HB H 1.855 0.01 1 62 . 8 ILE HG13 H 2.990 0.01 2 63 . 8 ILE HG12 H 2.096 0.01 2 64 . 8 ILE HD1 H 0.385 0.01 1 65 . 8 ILE HG2 H 0.599 0.01 1 66 . 9 ASN N N 126.826 0.01 1 67 . 9 ASN H H 9.470 0.01 1 68 . 9 ASN CA C 51.233 0.01 1 69 . 9 ASN HA H 4.801 0.01 1 70 . 9 ASN CB C 37.424 0.01 1 71 . 9 ASN HB3 H 2.901 0.01 2 72 . 9 ASN HB2 H 2.710 0.01 2 73 . 9 ASN HD21 H 6.861 0.01 1 74 . 9 ASN HD22 H 7.438 0.01 1 75 . 10 GLU N N 126.166 0.01 1 76 . 10 GLU H H 9.070 0.01 1 77 . 10 GLU CA C 57.736 0.01 1 78 . 10 GLU HA H 4.052 0.01 1 79 . 10 GLU CB C 28.337 0.01 1 80 . 10 GLU HB3 H 2.192 0.01 2 81 . 10 GLU HB2 H 1.885 0.01 2 82 . 10 GLU HG3 H 2.343 0.01 1 83 . 10 GLU HG2 H 2.343 0.01 1 84 . 11 ALA N N 120.660 0.01 1 85 . 11 ALA H H 8.070 0.01 1 86 . 11 ALA CA C 51.589 0.01 1 87 . 11 ALA HA H 4.352 0.01 1 88 . 11 ALA CB C 18.627 0.01 1 89 . 11 ALA HB H 1.419 0.01 1 90 . 12 GLU N N 119.999 0.01 1 91 . 12 GLU H H 7.390 0.01 1 92 . 12 GLU CA C 52.480 0.01 1 93 . 12 GLU HA H 4.737 0.01 1 94 . 12 GLU CB C 30.921 0.01 1 95 . 12 GLU HB3 H 2.227 0.01 1 96 . 12 GLU HB2 H 2.227 0.01 1 97 . 12 GLU HG3 H 1.764 0.01 1 98 . 12 GLU HG2 H 1.764 0.01 1 99 . 13 PRO CA C 63.079 0.01 1 100 . 13 PRO HA H 4.254 0.01 1 101 . 13 PRO CB C 30.398 0.01 1 102 . 13 PRO HB3 H 1.739 0.01 2 103 . 13 PRO HB2 H 1.116 0.01 2 104 . 13 PRO HG3 H 2.199 0.01 1 105 . 13 PRO HG2 H 2.199 0.01 1 106 . 13 PRO HD3 H 3.715 0.01 2 107 . 13 PRO HD2 H 3.534 0.01 2 108 . 14 THR N N 113.172 0.01 1 109 . 14 THR H H 8.390 0.01 1 110 . 14 THR CA C 58.984 0.01 1 111 . 14 THR HA H 5.436 0.01 1 112 . 14 THR CB C 72.258 0.01 1 113 . 14 THR HB H 4.108 0.01 1 114 . 14 THR HG2 H 1.125 0.01 1 115 . 15 THR N N 116.035 0.01 1 116 . 15 THR H H 9.510 0.01 1 117 . 15 THR CA C 59.429 0.01 1 118 . 15 THR HA H 4.800 0.01 1 119 . 15 THR CB C 69.585 0.01 1 120 . 15 THR HB H 4.005 0.01 1 121 . 15 THR HG2 H 1.047 0.01 1 122 . 16 ASN N N 124.184 0.01 1 123 . 16 ASN H H 8.140 0.01 1 124 . 16 ASN CA C 52.213 0.01 1 125 . 16 ASN HA H 5.225 0.01 1 126 . 16 ASN CB C 39.830 0.01 1 127 . 16 ASN HB3 H 2.722 0.01 2 128 . 16 ASN HB2 H 2.342 0.01 2 129 . 17 ILE N N 124.404 0.01 1 130 . 17 ILE H H 8.580 0.01 1 131 . 17 ILE CA C 57.113 0.01 1 132 . 17 ILE HA H 4.607 0.01 1 133 . 17 ILE CB C 39.028 0.01 1 134 . 17 ILE HB H 2.262 0.01 1 135 . 17 ILE HG13 H 1.612 0.01 1 136 . 17 ILE HG12 H 1.612 0.01 1 137 . 17 ILE HD1 H 1.061 0.01 1 138 . 17 ILE HG2 H 0.791 0.01 1 139 . 18 GLN N N 125.285 0.01 1 140 . 18 GLN H H 8.090 0.01 1 141 . 18 GLN CA C 53.549 0.01 1 142 . 18 GLN HA H 5.119 0.01 1 143 . 18 GLN CB C 30.743 0.01 1 144 . 18 GLN HB3 H 2.127 0.01 2 145 . 18 GLN HB2 H 2.030 0.01 2 146 . 18 GLN HG3 H 2.403 0.01 1 147 . 18 GLN HG2 H 2.403 0.01 1 148 . 19 ILE N N 125.065 0.01 1 149 . 19 ILE H H 9.470 0.01 1 150 . 19 ILE CA C 59.429 0.01 1 151 . 19 ILE HA H 4.943 0.01 1 152 . 19 ILE CB C 40.631 0.01 1 153 . 19 ILE HB H 1.737 0.01 1 154 . 19 ILE HG13 H 1.560 0.01 1 155 . 19 ILE HG12 H 1.560 0.01 1 156 . 19 ILE HD1 H 0.959 0.01 1 157 . 19 ILE HG2 H 0.635 0.01 1 158 . 20 ARG N N 127.927 0.01 1 159 . 20 ARG H H 9.260 0.01 1 160 . 20 ARG CA C 54.084 0.01 1 161 . 20 ARG HA H 4.805 0.01 1 162 . 20 ARG CB C 29.317 0.01 1 163 . 20 ARG HB3 H 1.970 0.01 2 164 . 20 ARG HB2 H 1.787 0.01 2 165 . 20 ARG HG3 H 1.624 0.01 2 166 . 20 ARG HG2 H 1.478 0.01 2 167 . 21 LEU N N 124.184 0.01 1 168 . 21 LEU H H 8.440 0.01 1 169 . 21 LEU CA C 53.727 0.01 1 170 . 21 LEU HA H 4.294 0.01 1 171 . 21 LEU CB C 42.859 0.01 1 172 . 21 LEU HB3 H 1.856 0.01 2 173 . 21 LEU HB2 H 1.420 0.01 2 174 . 21 LEU HG H 0.750 0.01 1 175 . 21 LEU HD1 H 0.507 0.01 1 176 . 21 LEU HD2 H 0.507 0.01 1 177 . 22 ALA N N 124.404 0.01 1 178 . 22 ALA H H 9.170 0.01 1 179 . 22 ALA CA C 53.727 0.01 1 180 . 22 ALA HA H 4.238 0.01 1 181 . 22 ALA CB C 18.003 0.01 1 182 . 22 ALA HB H 1.280 0.01 1 183 . 23 ASP N N 114.494 0.01 1 184 . 23 ASP H H 7.440 0.01 1 185 . 23 ASP HA H 4.509 0.01 1 186 . 23 ASP HB3 H 3.063 0.01 2 187 . 23 ASP HB2 H 2.425 0.01 2 188 . 24 GLY N N 108.548 0.01 1 189 . 24 GLY H H 7.820 0.01 1 190 . 24 GLY CA C 44.284 0.01 1 191 . 24 GLY HA3 H 3.668 0.01 1 192 . 24 GLY HA2 H 3.668 0.01 1 193 . 25 GLY N N 109.869 0.01 1 194 . 25 GLY H H 8.470 0.01 1 195 . 25 GLY CA C 44.640 0.01 1 196 . 25 GLY HA3 H 3.775 0.01 1 197 . 25 GLY HA2 H 3.775 0.01 1 198 . 26 ARG N N 121.321 0.01 1 199 . 26 ARG H H 8.460 0.01 1 200 . 26 ARG CA C 54.173 0.01 1 201 . 26 ARG HA H 5.463 0.01 1 202 . 26 ARG CB C 32.792 0.01 1 203 . 26 ARG HB3 H 1.749 0.01 1 204 . 26 ARG HB2 H 1.749 0.01 1 205 . 26 ARG HG3 H 1.633 0.01 2 206 . 26 ARG HG2 H 1.487 0.01 2 207 . 26 ARG HD3 H 3.142 0.01 1 208 . 26 ARG HD2 H 3.142 0.01 1 209 . 27 LEU N N 123.743 0.01 1 210 . 27 LEU H H 8.830 0.01 1 211 . 27 LEU CA C 53.015 0.01 1 212 . 27 LEU HA H 4.955 0.01 1 213 . 27 LEU CB C 45.888 0.01 1 214 . 27 LEU HB3 H 1.715 0.01 1 215 . 27 LEU HB2 H 1.715 0.01 1 216 . 27 LEU HG H 1.523 0.01 1 217 . 27 LEU HD1 H 0.937 0.01 1 218 . 27 LEU HD2 H 0.937 0.01 1 219 . 28 VAL N N 122.202 0.01 1 220 . 28 VAL H H 8.630 0.01 1 221 . 28 VAL CA C 60.587 0.01 1 222 . 28 VAL HA H 5.028 0.01 1 223 . 28 VAL CB C 33.148 0.01 1 224 . 28 VAL HB H 1.927 0.01 1 225 . 28 VAL HG2 H 0.874 0.01 2 226 . 28 VAL HG1 H 0.800 0.01 2 227 . 29 GLN N N 128.588 0.01 1 228 . 29 GLN H H 8.650 0.01 1 229 . 29 GLN CA C 53.193 0.01 1 230 . 29 GLN HA H 4.298 0.01 1 231 . 29 GLN CB C 31.544 0.01 1 232 . 29 GLN HB3 H 1.614 0.01 1 233 . 29 GLN HB2 H 1.614 0.01 1 234 . 29 GLN HG3 H 2.352 0.01 1 235 . 29 GLN HG2 H 2.352 0.01 1 236 . 30 LYS N N 127.707 0.01 1 237 . 30 LYS H H 7.600 0.01 1 238 . 30 LYS CA C 55.420 0.01 1 239 . 30 LYS HA H 5.095 0.01 1 240 . 30 LYS CB C 33.237 0.01 1 241 . 30 LYS HB3 H 1.603 0.01 1 242 . 30 LYS HB2 H 1.603 0.01 1 243 . 30 LYS HG3 H 1.437 0.01 1 244 . 30 LYS HG2 H 1.437 0.01 1 245 . 30 LYS HD3 H 1.248 0.01 1 246 . 30 LYS HD2 H 1.248 0.01 1 247 . 31 PHE N N 119.559 0.01 1 248 . 31 PHE H H 8.720 0.01 1 249 . 31 PHE CA C 56.044 0.01 1 250 . 31 PHE HA H 4.584 0.01 1 251 . 31 PHE CB C 44.730 0.01 1 252 . 31 PHE HB3 H 3.531 0.01 1 253 . 31 PHE HB2 H 3.531 0.01 1 254 . 31 PHE HD1 H 6.675 0.01 1 255 . 31 PHE HE1 H 6.614 0.01 1 256 . 31 PHE HZ H 6.434 0.01 1 257 . 31 PHE HE2 H 6.614 0.01 1 258 . 31 PHE HD2 H 6.675 0.01 1 259 . 32 ASN N N 121.321 0.01 1 260 . 32 ASN H H 7.900 0.01 1 261 . 32 ASN CA C 57.469 0.01 1 262 . 32 ASN HA H 5.533 0.01 1 263 . 32 ASN CB C 40.899 0.01 1 264 . 32 ASN HB3 H 3.284 0.01 2 265 . 32 ASN HB2 H 2.721 0.01 2 266 . 33 HIS N N 119.999 0.01 1 267 . 33 HIS H H 7.950 0.01 1 268 . 33 HIS CA C 58.271 0.01 1 269 . 33 HIS HA H 4.175 0.01 1 270 . 33 HIS CB C 31.455 0.01 1 271 . 33 HIS HB3 H 3.231 0.01 2 272 . 33 HIS HB2 H 3.089 0.01 2 273 . 33 HIS HD2 H 6.270 0.01 1 274 . 33 HIS HE1 H 7.806 0.01 1 275 . 34 SER N N 105.464 0.01 1 276 . 34 SER H H 7.610 0.01 1 277 . 34 SER CA C 57.826 0.01 1 278 . 34 SER HA H 4.360 0.01 1 279 . 34 SER CB C 62.725 0.01 1 280 . 34 SER HB3 H 4.099 0.01 2 281 . 34 SER HB2 H 3.810 0.01 2 282 . 35 HIS N N 122.202 0.01 1 283 . 35 HIS H H 7.410 0.01 1 284 . 35 HIS CA C 62.013 0.01 1 285 . 35 HIS HA H 4.520 0.01 1 286 . 35 HIS CB C 31.277 0.01 1 287 . 35 HIS HB3 H 3.420 0.01 2 288 . 35 HIS HB2 H 3.305 0.01 2 289 . 35 HIS HD2 H 7.363 0.01 1 290 . 35 HIS HE1 H 7.866 0.01 1 291 . 36 ARG N N 118.458 0.01 1 292 . 36 ARG H H 9.870 0.01 1 293 . 36 ARG CA C 53.727 0.01 1 294 . 36 ARG HA H 5.140 0.01 1 295 . 36 ARG CB C 32.614 0.01 1 296 . 36 ARG HB3 H 1.984 0.01 2 297 . 36 ARG HB2 H 1.683 0.01 2 298 . 36 ARG HG3 H 1.450 0.01 2 299 . 36 ARG HG2 H 1.279 0.01 2 300 . 37 ILE N N 123.303 0.01 1 301 . 37 ILE H H 8.210 0.01 1 302 . 37 ILE CA C 65.131 0.01 1 303 . 37 ILE HA H 3.362 0.01 1 304 . 37 ILE CB C 36.088 0.01 1 305 . 37 ILE HB H 1.938 0.01 1 306 . 37 ILE HG13 H 2.201 0.01 2 307 . 37 ILE HG12 H 1.162 0.01 2 308 . 37 ILE HD1 H 0.332 0.01 1 309 . 37 ILE HG2 H 0.839 0.01 1 310 . 38 SER N N 114.714 0.01 1 311 . 38 SER H H 8.780 0.01 1 312 . 38 SER CA C 59.696 0.01 1 313 . 38 SER HA H 4.534 0.01 1 314 . 38 SER CB C 61.567 0.01 1 315 . 38 SER HB3 H 3.868 0.01 1 316 . 38 SER HB2 H 3.868 0.01 1 317 . 39 ASP N N 122.862 0.01 1 318 . 39 ASP H H 7.770 0.01 1 319 . 39 ASP CA C 58.004 0.01 1 320 . 39 ASP HA H 4.765 0.01 1 321 . 39 ASP CB C 40.275 0.01 1 322 . 39 ASP HB3 H 3.259 0.01 2 323 . 39 ASP HB2 H 2.743 0.01 2 324 . 40 ILE N N 121.761 0.01 1 325 . 40 ILE H H 7.663 0.01 1 326 . 40 ILE CA C 64.596 0.01 1 327 . 40 ILE HA H 3.721 0.01 1 328 . 40 ILE CB C 35.643 0.01 1 329 . 40 ILE HB H 2.216 0.01 1 330 . 40 ILE HG13 H 1.732 0.01 1 331 . 40 ILE HG12 H 1.732 0.01 1 332 . 40 ILE HD1 H 0.842 0.01 1 333 . 40 ILE HG2 H 1.114 0.01 1 334 . 41 ARG N N 119.999 0.01 1 335 . 41 ARG H H 7.390 0.01 1 336 . 41 ARG CA C 60.587 0.01 1 337 . 41 ARG HA H 3.898 0.01 1 338 . 41 ARG CB C 29.228 0.01 1 339 . 41 ARG HB3 H 2.075 0.01 1 340 . 41 ARG HB2 H 2.075 0.01 1 341 . 41 ARG HG3 H 1.866 0.01 2 342 . 41 ARG HG2 H 1.511 0.01 2 343 . 42 LEU N N 117.357 0.01 1 344 . 42 LEU H H 7.840 0.01 1 345 . 42 LEU CA C 57.558 0.01 1 346 . 42 LEU HA H 4.029 0.01 1 347 . 42 LEU CB C 40.721 0.01 1 348 . 42 LEU HB3 H 1.850 0.01 1 349 . 42 LEU HB2 H 1.850 0.01 1 350 . 42 LEU HG H 1.945 0.01 1 351 . 42 LEU HD1 H 0.916 0.01 2 352 . 42 LEU HD2 H 1.002 0.01 2 353 . 43 PHE N N 119.779 0.01 1 354 . 43 PHE H H 7.950 0.01 1 355 . 43 PHE CA C 60.498 0.01 1 356 . 43 PHE HA H 4.503 0.01 1 357 . 43 PHE CB C 38.672 0.01 1 358 . 43 PHE HB3 H 3.480 0.01 2 359 . 43 PHE HB2 H 3.415 0.01 2 360 . 43 PHE HD1 H 7.105 0.01 1 361 . 43 PHE HE1 H 7.054 0.01 1 362 . 43 PHE HZ H 7.315 0.01 1 363 . 43 PHE HE2 H 7.054 0.01 1 364 . 43 PHE HD2 H 7.105 0.01 1 365 . 44 ILE N N 119.339 0.01 1 366 . 44 ILE H H 8.220 0.01 1 367 . 44 ILE CA C 65.754 0.01 1 368 . 44 ILE HA H 4.276 0.01 1 369 . 44 ILE CB C 37.602 0.01 1 370 . 44 ILE HB H 2.070 0.01 1 371 . 44 ILE HG13 H 1.630 0.01 2 372 . 44 ILE HG12 H 1.493 0.01 2 373 . 44 ILE HD1 H 0.592 0.01 1 374 . 44 ILE HG2 H 1.455 0.01 1 375 . 45 VAL N N 115.595 0.01 1 376 . 45 VAL H H 7.720 0.01 1 377 . 45 VAL CA C 64.864 0.01 1 378 . 45 VAL HA H 4.205 0.01 1 379 . 45 VAL CB C 30.743 0.01 1 380 . 45 VAL HB H 2.077 0.01 1 381 . 45 VAL HG2 H 1.256 0.01 1 382 . 45 VAL HG1 H 1.256 0.01 1 383 . 46 ASP N N 120.220 0.01 1 384 . 46 ASP H H 7.920 0.01 1 385 . 46 ASP CA C 55.777 0.01 1 386 . 46 ASP HA H 4.378 0.01 1 387 . 46 ASP CB C 39.741 0.01 1 388 . 46 ASP HB3 H 2.735 0.01 2 389 . 46 ASP HB2 H 2.430 0.01 2 390 . 47 ALA N N 120.440 0.01 1 391 . 47 ALA H H 8.040 0.01 1 392 . 47 ALA CA C 53.282 0.01 1 393 . 47 ALA HA H 3.782 0.01 1 394 . 47 ALA CB C 18.270 0.01 1 395 . 47 ALA HB H 0.933 0.01 1 396 . 48 ARG N N 118.678 0.01 1 397 . 48 ARG H H 8.070 0.01 1 398 . 48 ARG CA C 56.311 0.01 1 399 . 48 ARG HA H 4.720 0.01 1 400 . 48 ARG CB C 28.605 0.01 1 401 . 48 ARG HB3 H 2.242 0.01 2 402 . 48 ARG HB2 H 1.959 0.01 2 403 . 48 ARG HG3 H 1.720 0.01 1 404 . 48 ARG HG2 H 1.720 0.01 1 405 . 48 ARG HD3 H 3.541 0.01 2 406 . 48 ARG HD2 H 3.376 0.01 2 407 . 49 PRO CA C 64.596 0.01 1 408 . 49 PRO HA H 4.681 0.01 1 409 . 49 PRO CB C 31.010 0.01 1 410 . 49 PRO HB3 H 2.445 0.01 1 411 . 49 PRO HB2 H 2.445 0.01 1 412 . 49 PRO HG3 H 2.171 0.01 2 413 . 49 PRO HG2 H 2.094 0.01 2 414 . 49 PRO HD3 H 3.977 0.01 2 415 . 49 PRO HD2 H 3.808 0.01 2 416 . 50 ALA N N 120.440 0.01 1 417 . 50 ALA H H 8.540 0.01 1 418 . 50 ALA CA C 53.727 0.01 1 419 . 50 ALA HA H 4.266 0.01 1 420 . 50 ALA CB C 17.914 0.01 1 421 . 50 ALA HB H 1.405 0.01 1 422 . 51 MET N N 116.035 0.01 1 423 . 51 MET H H 8.850 0.01 1 424 . 51 MET CA C 55.598 0.01 1 425 . 51 MET HA H 4.587 0.01 1 426 . 51 MET CB C 31.634 0.01 1 427 . 51 MET HB3 H 2.199 0.01 1 428 . 51 MET HB2 H 2.199 0.01 1 429 . 51 MET HG3 H 2.563 0.01 2 430 . 51 MET HG2 H 2.445 0.01 2 431 . 51 MET HE H 2.021 0.01 1 432 . 52 ALA N N 122.202 0.01 1 433 . 52 ALA H H 7.750 0.01 1 434 . 52 ALA CA C 54.618 0.01 1 435 . 52 ALA HA H 4.113 0.01 1 436 . 52 ALA CB C 18.270 0.01 1 437 . 52 ALA HB H 1.533 0.01 1 438 . 53 ALA N N 118.678 0.01 1 439 . 53 ALA H H 7.860 0.01 1 440 . 53 ALA CA C 50.966 0.01 1 441 . 53 ALA HA H 4.588 0.01 1 442 . 53 ALA CB C 18.627 0.01 1 443 . 53 ALA HB H 1.415 0.01 1 444 . 54 THR N N 115.595 0.01 1 445 . 54 THR H H 7.410 0.01 1 446 . 54 THR CA C 60.855 0.01 1 447 . 54 THR HA H 4.458 0.01 1 448 . 54 THR CB C 69.853 0.01 1 449 . 54 THR HB H 4.149 0.01 1 450 . 54 THR HG2 H 1.269 0.01 1 451 . 55 SER N N 121.981 0.01 1 452 . 55 SER H H 8.670 0.01 1 453 . 55 SER CA C 57.736 0.01 1 454 . 55 SER HA H 4.654 0.01 1 455 . 55 SER CB C 62.815 0.01 1 456 . 55 SER HB3 H 3.809 0.01 1 457 . 55 SER HB2 H 3.809 0.01 1 458 . 56 PHE N N 120.440 0.01 1 459 . 56 PHE H H 8.700 0.01 1 460 . 56 PHE CA C 56.044 0.01 1 461 . 56 PHE HA H 5.558 0.01 1 462 . 56 PHE CB C 40.988 0.01 1 463 . 56 PHE HB3 H 3.161 0.01 2 464 . 56 PHE HB2 H 2.977 0.01 2 465 . 56 PHE HD1 H 7.133 0.01 1 466 . 56 PHE HE1 H 7.133 0.01 1 467 . 56 PHE HZ H 7.133 0.01 1 468 . 56 PHE HE2 H 7.133 0.01 1 469 . 56 PHE HD2 H 7.133 0.01 1 470 . 57 VAL N N 116.916 0.01 1 471 . 57 VAL H H 9.330 0.01 1 472 . 57 VAL CA C 58.984 0.01 1 473 . 57 VAL HA H 4.404 0.01 1 474 . 57 VAL CB C 34.930 0.01 1 475 . 57 VAL HB H 2.204 0.01 1 476 . 57 VAL HG2 H 0.892 0.01 2 477 . 57 VAL HG1 H 0.832 0.01 2 478 . 58 LEU N N 123.082 0.01 1 479 . 58 LEU H H 9.260 0.01 1 480 . 58 LEU CA C 52.658 0.01 1 481 . 58 LEU HA H 5.279 0.01 1 482 . 58 LEU CB C 42.948 0.01 1 483 . 58 LEU HB3 H 1.924 0.01 2 484 . 58 LEU HB2 H 1.156 0.01 2 485 . 58 LEU HG H 1.698 0.01 1 486 . 58 LEU HD1 H 0.820 0.01 1 487 . 58 LEU HD2 H 0.820 0.01 1 488 . 59 MET N N 118.678 0.01 1 489 . 59 MET H H 8.970 0.01 1 490 . 59 MET CA C 53.371 0.01 1 491 . 59 MET HA H 5.392 0.01 1 492 . 59 MET CB C 36.177 0.01 1 493 . 59 MET HB3 H 2.069 0.01 2 494 . 59 MET HB2 H 1.935 0.01 2 495 . 59 MET HG3 H 2.325 0.01 1 496 . 59 MET HG2 H 2.325 0.01 1 497 . 59 MET HE H 1.646 0.01 1 498 . 60 THR N N 110.750 0.01 1 499 . 60 THR H H 8.620 0.01 1 500 . 60 THR CA C 60.409 0.01 1 501 . 60 THR HA H 4.934 0.01 1 502 . 60 THR CB C 69.674 0.01 1 503 . 60 THR HB H 4.526 0.01 1 504 . 60 THR HG2 H 1.265 0.01 1 505 . 61 THR N N 110.530 0.01 1 506 . 61 THR H H 8.420 0.01 1 507 . 61 THR CA C 61.033 0.01 1 508 . 61 THR HA H 4.404 0.01 1 509 . 61 THR CB C 69.229 0.01 1 510 . 61 THR HB H 4.008 0.01 1 511 . 61 THR HG2 H 1.010 0.01 1 512 . 62 PHE N N 118.238 0.01 1 513 . 62 PHE H H 7.610 0.01 1 514 . 62 PHE CA C 56.400 0.01 1 515 . 62 PHE HA H 4.441 0.01 1 516 . 62 PHE CB C 38.850 0.01 1 517 . 62 PHE HB3 H 3.660 0.01 2 518 . 62 PHE HB2 H 3.084 0.01 2 519 . 62 PHE HD1 H 7.293 0.01 1 520 . 62 PHE HD2 H 7.293 0.01 1 521 . 63 PRO CA C 64.596 0.01 1 522 . 63 PRO HA H 4.021 0.01 1 523 . 63 PRO CB C 31.010 0.01 1 524 . 63 PRO HB3 H 1.944 0.01 2 525 . 63 PRO HB2 H 1.785 0.01 2 526 . 63 PRO HG3 H 1.613 0.01 2 527 . 63 PRO HG2 H 1.469 0.01 2 528 . 63 PRO HD3 H 3.482 0.01 2 529 . 63 PRO HD2 H 3.068 0.01 2 530 . 64 ASN N N 120.660 0.01 1 531 . 64 ASN H H 8.540 0.01 1 532 . 64 ASN CA C 53.193 0.01 1 533 . 64 ASN HA H 4.828 0.01 1 534 . 64 ASN CB C 37.424 0.01 1 535 . 64 ASN HB3 H 2.687 0.01 1 536 . 64 ASN HB2 H 2.687 0.01 1 537 . 65 LYS N N 126.386 0.01 1 538 . 65 LYS H H 7.930 0.01 1 539 . 65 LYS CA C 55.331 0.01 1 540 . 65 LYS HA H 4.442 0.01 1 541 . 65 LYS CB C 34.663 0.01 1 542 . 65 LYS HB3 H 1.741 0.01 2 543 . 65 LYS HB2 H 1.574 0.01 2 544 . 66 GLU N N 124.844 0.01 1 545 . 66 GLU H H 8.750 0.01 1 546 . 66 GLU CA C 56.222 0.01 1 547 . 66 GLU HA H 4.417 0.01 1 548 . 66 GLU CB C 29.763 0.01 1 549 . 66 GLU HB3 H 1.952 0.01 1 550 . 66 GLU HB2 H 1.952 0.01 1 551 . 66 GLU HG3 H 2.223 0.01 1 552 . 66 GLU HG2 H 2.223 0.01 1 553 . 67 LEU N N 128.368 0.01 1 554 . 67 LEU H H 8.850 0.01 1 555 . 67 LEU CA C 53.015 0.01 1 556 . 67 LEU HA H 4.497 0.01 1 557 . 67 LEU CB C 38.137 0.01 1 558 . 67 LEU HB3 H 1.859 0.01 2 559 . 67 LEU HB2 H 1.335 0.01 2 560 . 67 LEU HG H 1.624 0.01 1 561 . 67 LEU HD1 H 0.864 0.01 1 562 . 67 LEU HD2 H 0.864 0.01 1 563 . 68 ALA N N 125.065 0.01 1 564 . 68 ALA H H 7.540 0.01 1 565 . 68 ALA CA C 53.015 0.01 1 566 . 68 ALA HA H 4.359 0.01 1 567 . 68 ALA CB C 19.250 0.01 1 568 . 68 ALA HB H 1.353 0.01 1 569 . 69 ASP N N 117.357 0.01 1 570 . 69 ASP H H 8.110 0.01 1 571 . 69 ASP CA C 51.589 0.01 1 572 . 69 ASP HA H 4.849 0.01 1 573 . 69 ASP CB C 39.384 0.01 1 574 . 69 ASP HB3 H 2.857 0.01 2 575 . 69 ASP HB2 H 2.490 0.01 2 576 . 70 GLU N N 122.642 0.01 1 577 . 70 GLU H H 8.750 0.01 1 578 . 70 GLU CA C 57.380 0.01 1 579 . 70 GLU HA H 4.713 0.01 1 580 . 70 GLU CB C 27.090 0.01 1 581 . 70 GLU HB3 H 2.025 0.01 2 582 . 70 GLU HB2 H 1.780 0.01 2 583 . 71 ASN N N 115.815 0.01 1 584 . 71 ASN H H 8.270 0.01 1 585 . 71 ASN CA C 53.015 0.01 1 586 . 71 ASN HA H 4.806 0.01 1 587 . 71 ASN CB C 38.493 0.01 1 588 . 71 ASN HB3 H 2.874 0.01 1 589 . 71 ASN HB2 H 2.874 0.01 1 590 . 72 GLN N N 117.577 0.01 1 591 . 72 GLN H H 6.910 0.01 1 592 . 72 GLN CA C 56.044 0.01 1 593 . 72 GLN HA H 4.308 0.01 1 594 . 72 GLN CB C 30.475 0.01 1 595 . 72 GLN HB3 H 1.954 0.01 1 596 . 72 GLN HB2 H 1.954 0.01 1 597 . 72 GLN HG3 H 2.367 0.01 1 598 . 72 GLN HG2 H 2.367 0.01 1 599 . 73 THR N N 110.970 0.01 1 600 . 73 THR H H 8.610 0.01 1 601 . 73 THR CA C 60.231 0.01 1 602 . 73 THR HA H 5.000 0.01 1 603 . 73 THR CB C 70.209 0.01 1 604 . 73 THR HB H 4.362 0.01 1 605 . 73 THR HG2 H 1.276 0.01 1 606 . 74 LEU N N 119.559 0.01 1 607 . 74 LEU H H 8.730 0.01 1 608 . 74 LEU CA C 58.004 0.01 1 609 . 74 LEU HA H 3.732 0.01 1 610 . 74 LEU CB C 39.652 0.01 1 611 . 74 LEU HB3 H 1.266 0.01 2 612 . 74 LEU HB2 H 1.115 0.01 2 613 . 74 LEU HG H 1.593 0.01 1 614 . 74 LEU HD1 H 0.420 0.01 2 615 . 74 LEU HD2 H 0.574 0.01 2 616 . 75 LYS N N 115.815 0.01 1 617 . 75 LYS H H 7.720 0.01 1 618 . 75 LYS CA C 58.716 0.01 1 619 . 75 LYS HA H 3.818 0.01 1 620 . 75 LYS CB C 32.614 0.01 1 621 . 75 LYS HB3 H 1.794 0.01 2 622 . 75 LYS HB2 H 1.667 0.01 2 623 . 75 LYS HG3 H 1.433 0.01 2 624 . 75 LYS HG2 H 1.348 0.01 2 625 . 75 LYS HE3 H 2.969 0.01 1 626 . 75 LYS HE2 H 2.969 0.01 1 627 . 76 GLU N N 122.642 0.01 1 628 . 76 GLU H H 8.110 0.01 1 629 . 76 GLU CA C 58.360 0.01 1 630 . 76 GLU HA H 3.922 0.01 1 631 . 76 GLU CB C 29.050 0.01 1 632 . 76 GLU HB3 H 2.258 0.01 2 633 . 76 GLU HB2 H 1.956 0.01 2 634 . 76 GLU HG3 H 2.352 0.01 1 635 . 76 GLU HG2 H 2.352 0.01 1 636 . 77 ALA N N 118.678 0.01 1 637 . 77 ALA H H 8.070 0.01 1 638 . 77 ALA CA C 51.233 0.01 1 639 . 77 ALA HA H 4.283 0.01 1 640 . 77 ALA CB C 18.805 0.01 1 641 . 77 ALA HB H 1.291 0.01 1 642 . 78 ASN N N 115.595 0.01 1 643 . 78 ASN H H 7.780 0.01 1 644 . 78 ASN CA C 53.638 0.01 1 645 . 78 ASN HA H 4.339 0.01 1 646 . 78 ASN CB C 36.088 0.01 1 647 . 78 ASN HB3 H 3.196 0.01 2 648 . 78 ASN HB2 H 2.717 0.01 2 649 . 79 LEU N N 118.238 0.01 1 650 . 79 LEU H H 8.320 0.01 1 651 . 79 LEU CA C 52.837 0.01 1 652 . 79 LEU HA H 4.435 0.01 1 653 . 79 LEU CB C 41.344 0.01 1 654 . 79 LEU HB3 H 1.554 0.01 1 655 . 79 LEU HB2 H 1.554 0.01 1 656 . 79 LEU HG H 1.776 0.01 1 657 . 79 LEU HD1 H 1.264 0.01 1 658 . 79 LEU HD2 H 1.264 0.01 1 659 . 80 LEU N N 117.357 0.01 1 660 . 80 LEU H H 7.250 0.01 1 661 . 80 LEU CA C 55.420 0.01 1 662 . 80 LEU HA H 4.005 0.01 1 663 . 80 LEU CB C 38.493 0.01 1 664 . 80 LEU HB3 H 1.434 0.01 1 665 . 80 LEU HB2 H 1.434 0.01 1 666 . 80 LEU HG H 1.162 0.01 1 667 . 80 LEU HD1 H 0.133 0.01 2 668 . 80 LEU HD2 H 0.567 0.01 2 669 . 81 ASN N N 120.440 0.01 1 670 . 81 ASN H H 8.540 0.01 1 671 . 81 ASN CA C 53.549 0.01 1 672 . 81 ASN HA H 4.948 0.01 1 673 . 81 ASN CB C 37.335 0.01 1 674 . 81 ASN HB3 H 3.071 0.01 2 675 . 81 ASN HB2 H 2.759 0.01 2 676 . 82 ALA N N 119.999 0.01 1 677 . 82 ALA H H 7.090 0.01 1 678 . 82 ALA CA C 51.678 0.01 1 679 . 82 ALA HA H 4.457 0.01 1 680 . 82 ALA CB C 21.388 0.01 1 681 . 82 ALA HB H 1.268 0.01 1 682 . 83 VAL N N 119.559 0.01 1 683 . 83 VAL H H 7.900 0.01 1 684 . 83 VAL CA C 60.855 0.01 1 685 . 83 VAL HA H 4.768 0.01 1 686 . 83 VAL CB C 31.544 0.01 1 687 . 83 VAL HB H 1.964 0.01 1 688 . 83 VAL HG2 H 0.929 0.01 2 689 . 83 VAL HG1 H 0.725 0.01 2 690 . 84 ILE N N 127.927 0.01 1 691 . 84 ILE H H 9.184 0.01 1 692 . 84 ILE CA C 57.915 0.01 1 693 . 84 ILE HA H 4.761 0.01 1 694 . 84 ILE CB C 39.295 0.01 1 695 . 84 ILE HB H 1.750 0.01 1 696 . 84 ILE HG13 H 1.179 0.01 2 697 . 84 ILE HG12 H 1.136 0.01 2 698 . 84 ILE HG2 H 0.840 0.01 1 699 . 85 VAL N N 126.166 0.01 1 700 . 85 VAL H H 9.301 0.01 1 701 . 85 VAL CA C 60.142 0.01 1 702 . 85 VAL HA H 4.607 0.01 1 703 . 85 VAL CB C 34.217 0.01 1 704 . 85 VAL HB H 1.727 0.01 1 705 . 85 VAL HG2 H 0.806 0.01 1 706 . 85 VAL HG1 H 0.806 0.01 1 707 . 86 GLN N N 126.606 0.01 1 708 . 86 GLN H H 8.270 0.01 1 709 . 86 GLN CA C 54.084 0.01 1 710 . 86 GLN HA H 4.702 0.01 1 711 . 86 GLN CB C 29.674 0.01 1 712 . 86 GLN HB3 H 1.245 0.01 1 713 . 86 GLN HB2 H 1.245 0.01 1 714 . 86 GLN HG3 H 2.344 0.01 1 715 . 86 GLN HG2 H 2.344 0.01 1 716 . 87 ARG N N 130.790 0.01 1 717 . 87 ARG H H 9.070 0.01 1 718 . 87 ARG CA C 53.906 0.01 1 719 . 87 ARG HA H 4.713 0.01 1 720 . 87 ARG CB C 32.524 0.01 1 721 . 87 ARG HB3 H 1.734 0.01 2 722 . 87 ARG HB2 H 1.443 0.01 2 723 . 88 LEU N N 127.267 0.01 1 724 . 88 LEU H H 8.820 0.01 1 725 . 88 LEU CA C 55.420 0.01 1 726 . 88 LEU HA H 4.628 0.01 1 727 . 88 LEU CB C 39.919 0.01 1 728 . 88 LEU HB3 H 1.780 0.01 1 729 . 88 LEU HB2 H 1.780 0.01 1 730 . 88 LEU HG H 1.613 0.01 1 731 . 88 LEU HD1 H 0.749 0.01 1 732 . 88 LEU HD2 H 0.749 0.01 1 733 . 89 THR N N 120.220 0.01 1 734 . 89 THR H H 7.810 0.01 1 735 . 89 THR CA C 61.478 0.01 1 736 . 89 THR HA H 4.613 0.01 1 737 . 89 THR CB C 69.496 0.01 1 738 . 89 THR HB H 4.217 0.01 1 739 . 89 THR HG2 H 1.049 0.01 1 stop_ save_