data_11283 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Solution Structure of the Ubiquitin-like Domain in Human FAS-associated factor 1 (hFAF1) ; _BMRB_accession_number 11283 _BMRB_flat_file_name bmr11283.str _Entry_type original _Submission_date 2010-08-09 _Accession_date 2010-08-09 _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 Zhao C. . . 2 Sato M. . . 3 Koshiba S. . . 4 Watanabe S. . . 5 Harada T. . . 6 Kigawa T. . . 7 Yokoyama S. . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 525 "13C chemical shifts" 400 "15N chemical shifts" 91 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2011-08-18 original author . stop_ _Original_release_date 2011-08-18 save_ ############################# # Citation for this entry # ############################# save_citation_1 _Saveframe_category entry_citation _Citation_full . _Citation_title ; Solution Structure of the Ubiquitin-like Domain in Human FAS-associated factor 1 (hFAF1) ; _Citation_status 'in preparation' _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID ? loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Zhao C. . . 2 Sato M. . . 3 Koshiba S. . . 4 Watanabe S. . . 5 Harada T. . . 6 Kigawa T. . . 7 Yokoyama S. . . stop_ _Journal_abbreviation . _Journal_volume . _Journal_issue . _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first . _Page_last . _Year . _Details . save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name 'FAS-associated factor 1' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label 'ubiquitin-like domain, residues 8-100' $entity_1 stop_ _System_molecular_weight . _System_physical_state native _System_oligomer_state ? _System_paramagnetic no _System_thiol_state . _Database_query_date . _Details . save_ ######################## # Monomeric polymers # ######################## save_entity_1 _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common 'ubiquitin-like domain, residues 8-100' _Molecular_mass . _Mol_thiol_state 'all free' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 100 _Mol_residue_sequence ; GSSGSSGRMLDFRVEYRDRN VDVVLEDTCTVGEIKQILEN ELQIPVSKMLLKGWKTGDVE DSTVLKSLHLPKNNSLYVLT PDLPPPSSSSHAGALQESLN ; loop_ _Residue_seq_code _Residue_label 1 GLY 2 SER 3 SER 4 GLY 5 SER 6 SER 7 GLY 8 ARG 9 MET 10 LEU 11 ASP 12 PHE 13 ARG 14 VAL 15 GLU 16 TYR 17 ARG 18 ASP 19 ARG 20 ASN 21 VAL 22 ASP 23 VAL 24 VAL 25 LEU 26 GLU 27 ASP 28 THR 29 CYS 30 THR 31 VAL 32 GLY 33 GLU 34 ILE 35 LYS 36 GLN 37 ILE 38 LEU 39 GLU 40 ASN 41 GLU 42 LEU 43 GLN 44 ILE 45 PRO 46 VAL 47 SER 48 LYS 49 MET 50 LEU 51 LEU 52 LYS 53 GLY 54 TRP 55 LYS 56 THR 57 GLY 58 ASP 59 VAL 60 GLU 61 ASP 62 SER 63 THR 64 VAL 65 LEU 66 LYS 67 SER 68 LEU 69 HIS 70 LEU 71 PRO 72 LYS 73 ASN 74 ASN 75 SER 76 LEU 77 TYR 78 VAL 79 LEU 80 THR 81 PRO 82 ASP 83 LEU 84 PRO 85 PRO 86 PRO 87 SER 88 SER 89 SER 90 SER 91 HIS 92 ALA 93 GLY 94 ALA 95 LEU 96 GLN 97 GLU 98 SER 99 LEU 100 ASN stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2015-07-08 loop_ _Database_name _Database_accession_code _Database_entry_mol_name _Sequence_query_to_submitted_percentage _Sequence_subject_length _Sequence_identity _Sequence_positive _Sequence_homology_expectation_value PDB 2DZM "Solution Structure Of The Ubiquitin-Like Domain In Human Fas-Associated Factor 1 (Hfaf1)" 100.00 100 100.00 100.00 6.64e-65 DBJ BAF85529 "unnamed protein product [Homo sapiens]" 93.00 650 100.00 100.00 8.78e-56 DBJ BAG11065 "FAS-associated factor 1 [synthetic construct]" 93.00 650 100.00 100.00 7.69e-56 EMBL CAB63755 "hypothetical protein [Homo sapiens]" 93.00 554 100.00 100.00 2.19e-56 EMBL CAB67705 "Fas-associated factor, FAF1 [Homo sapiens]" 93.00 650 100.00 100.00 7.69e-56 GB AAA92091 "FAF1 [Mus musculus]" 93.00 649 97.85 98.92 2.23e-54 GB AAD27713 "CGI-03 protein [Homo sapiens]" 93.00 650 100.00 100.00 7.69e-56 GB AAD51876 "Fas associated factor 1 [Homo sapiens]" 90.00 490 100.00 100.00 6.20e-53 GB AAD51886 "fas-associated factor 1 [Homo sapiens]" 93.00 650 100.00 100.00 8.43e-56 GB AAH04970 "Fas (TNFRSF6) associated factor 1 [Homo sapiens]" 93.00 650 100.00 100.00 7.69e-56 REF NP_001252796 "FAS-associated factor 1 [Macaca mulatta]" 93.00 650 97.85 100.00 8.88e-55 REF NP_008982 "FAS-associated factor 1 [Homo sapiens]" 93.00 650 100.00 100.00 7.69e-56 REF NP_032009 "FAS-associated factor 1 [Mus musculus]" 93.00 649 97.85 98.92 2.06e-54 REF NP_569090 "FAS-associated factor 1 [Rattus norvegicus]" 93.00 649 97.85 98.92 2.02e-54 REF XP_001137725 "PREDICTED: FAS-associated factor 1 [Pan troglodytes]" 93.00 650 98.92 100.00 2.47e-55 SP P54731 "RecName: Full=FAS-associated factor 1" 93.00 649 97.85 98.92 2.06e-54 SP Q924K2 "RecName: Full=FAS-associated factor 1" 93.00 649 97.85 98.92 2.02e-54 SP Q9UNN5 "RecName: Full=FAS-associated factor 1; Short=hFAF1; AltName: Full=UBX domain-containing protein 12; AltName: Full=UBX domain-co" 93.00 650 100.00 100.00 7.69e-56 stop_ save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species $entity_1 human 9606 Eukaryota Metazoa Homo sapiens stop_ save_ ######################### # Experimental source # ######################### save_experimental_source _Saveframe_category experimental_source loop_ _Mol_label _Production_method _Host_organism_name_common _Genus _Species _Strain _Vector_type _Vector_name $entity_1 'cell free synthesis' 'E. coli' Escherichia coli . plasmid P060327-21 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Saveframe_category sample _Sample_type solution _Details ; 1.17mM ubiquitin-like domain U-15N, {13C;} 20mM d-Tris-HCl(pH {7.0);} 100mM {NaCl;} 1mM {d-DTT;} 0.02% {NaN3;} 10% D2O, 90% H2O ; loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $entity_1 1.17 mM '[U-13C; U-15N]' d-Tris-HCl 20 mM 'natural abundance' NaCl 100 mM 'natural abundance' d-DTT 1 mM 'natural abundance' NaN3 0.02 % 'natural abundance' H2O 90 % . D2O 10 % . stop_ save_ ############################ # Computer software used # ############################ save_XWINNMR _Saveframe_category software _Name xwinnmr _Version 2.6 loop_ _Vendor _Address _Electronic_address Bruker . . stop_ loop_ _Task collection stop_ _Details . save_ save_NMRPipe _Saveframe_category software _Name NMRPipe _Version 20031121 loop_ _Vendor _Address _Electronic_address 'Delaglio, F.' . . stop_ loop_ _Task processing stop_ _Details . save_ save_NMRView _Saveframe_category software _Name NMRView _Version 5.0.4 loop_ _Vendor _Address _Electronic_address 'Johnson, B. A.' . . stop_ loop_ _Task 'data analysis' stop_ _Details . save_ save_Kujira _Saveframe_category software _Name Kujira _Version 0.9748 loop_ _Vendor _Address _Electronic_address 'Kobayashi, N.' . . stop_ loop_ _Task 'data analysis' stop_ _Details . save_ save_CYANA _Saveframe_category software _Name CYANA _Version 2.0.17 loop_ _Vendor _Address _Electronic_address 'Guntert, P.' . . stop_ loop_ _Task refinement 'structure solution' stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model AVANCE _Field_strength 800 _Details . save_ ############################# # NMR applied experiments # ############################# save_3D_13C-separated_NOESY_1 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 13C-separated NOESY' _Sample_label $sample_1 save_ save_3D_15N-separated_NOESY_2 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 15N-separated NOESY' _Sample_label $sample_1 save_ ####################### # Sample conditions # ####################### save_condition_1 _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units 'ionic strength' 120 0.1 mM pH 7.0 0.05 pH pressure 1 0.001 atm temperature 296.0 0.1 K stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_reference_1 _Saveframe_category chemical_shift_reference _Details ; Chemical shift reference of 1H was based on the proton of water (4.784ppm at 298K) and then those of 15N and 13C were calculated based on their gyromagnetic ratios. ; 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 0.0 . indirect . . . 0.251449530 DSS H 1 'methyl protons' ppm 0.0 . indirect . . . 1.0 DSS N 15 'methyl protons' ppm 0.0 . 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_1 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Software_label $XWINNMR $NMRPipe $NMRView $Kujira $CYANA stop_ loop_ _Experiment_label '3D 13C-separated NOESY' '3D 15N-separated NOESY' stop_ loop_ _Sample_label $sample_1 stop_ _Sample_conditions_label $condition_1 _Chem_shift_reference_set_label $reference_1 _Mol_system_component_name 'ubiquitin-like domain, residues 8-100' _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 6 6 SER HA H 4.577 0.030 1 2 6 6 SER HB2 H 3.944 0.030 1 3 6 6 SER HB3 H 3.944 0.030 1 4 6 6 SER C C 174.879 0.300 1 5 6 6 SER CA C 58.540 0.300 1 6 6 6 SER CB C 64.198 0.300 1 7 7 7 GLY H H 8.594 0.030 1 8 7 7 GLY HA2 H 3.909 0.030 2 9 7 7 GLY HA3 H 4.174 0.030 2 10 7 7 GLY C C 173.106 0.300 1 11 7 7 GLY CA C 45.133 0.300 1 12 7 7 GLY N N 111.209 0.300 1 13 8 8 ARG H H 8.237 0.030 1 14 8 8 ARG HA H 4.346 0.030 1 15 8 8 ARG HB2 H 1.621 0.030 2 16 8 8 ARG HB3 H 1.824 0.030 2 17 8 8 ARG HD2 H 3.201 0.030 1 18 8 8 ARG HD3 H 3.201 0.030 1 19 8 8 ARG HG2 H 1.421 0.030 2 20 8 8 ARG HG3 H 1.610 0.030 2 21 8 8 ARG C C 174.871 0.300 1 22 8 8 ARG CA C 55.966 0.300 1 23 8 8 ARG CB C 31.385 0.300 1 24 8 8 ARG CD C 43.803 0.300 1 25 8 8 ARG CG C 27.783 0.300 1 26 8 8 ARG N N 122.173 0.300 1 27 9 9 MET H H 8.243 0.030 1 28 9 9 MET HA H 4.821 0.030 1 29 9 9 MET HB2 H 1.689 0.030 2 30 9 9 MET HB3 H 1.945 0.030 2 31 9 9 MET HE H 1.975 0.030 1 32 9 9 MET HG2 H 2.628 0.030 2 33 9 9 MET HG3 H 2.519 0.030 2 34 9 9 MET C C 175.852 0.300 1 35 9 9 MET CA C 53.739 0.300 1 36 9 9 MET CB C 31.540 0.300 1 37 9 9 MET CE C 16.824 0.300 1 38 9 9 MET CG C 32.050 0.300 1 39 9 9 MET N N 122.536 0.300 1 40 10 10 LEU H H 9.117 0.030 1 41 10 10 LEU HA H 4.587 0.030 1 42 10 10 LEU HB2 H 1.940 0.030 2 43 10 10 LEU HB3 H 0.942 0.030 2 44 10 10 LEU HD1 H 1.019 0.030 1 45 10 10 LEU HD2 H 0.792 0.030 1 46 10 10 LEU HG H 1.610 0.030 1 47 10 10 LEU C C 173.841 0.300 1 48 10 10 LEU CA C 53.627 0.300 1 49 10 10 LEU CB C 46.106 0.300 1 50 10 10 LEU CD1 C 28.029 0.300 2 51 10 10 LEU CD2 C 23.097 0.300 2 52 10 10 LEU CG C 27.293 0.300 1 53 10 10 LEU N N 125.996 0.300 1 54 11 11 ASP H H 8.409 0.030 1 55 11 11 ASP HA H 5.205 0.030 1 56 11 11 ASP HB2 H 2.533 0.030 2 57 11 11 ASP HB3 H 2.651 0.030 2 58 11 11 ASP C C 175.626 0.300 1 59 11 11 ASP CA C 53.403 0.300 1 60 11 11 ASP CB C 43.273 0.300 1 61 11 11 ASP N N 119.189 0.300 1 62 12 12 PHE H H 9.313 0.030 1 63 12 12 PHE HA H 4.942 0.030 1 64 12 12 PHE HB2 H 2.927 0.030 2 65 12 12 PHE HB3 H 2.347 0.030 2 66 12 12 PHE HD1 H 6.840 0.030 1 67 12 12 PHE HD2 H 6.840 0.030 1 68 12 12 PHE HE1 H 7.099 0.030 1 69 12 12 PHE HE2 H 7.099 0.030 1 70 12 12 PHE HZ H 7.165 0.030 1 71 12 12 PHE C C 174.075 0.300 1 72 12 12 PHE CA C 56.629 0.300 1 73 12 12 PHE CB C 41.686 0.300 1 74 12 12 PHE CD1 C 131.947 0.300 1 75 12 12 PHE CD2 C 131.947 0.300 1 76 12 12 PHE CE1 C 130.932 0.300 1 77 12 12 PHE CE2 C 130.932 0.300 1 78 12 12 PHE CZ C 129.353 0.300 1 79 12 12 PHE N N 120.741 0.300 1 80 13 13 ARG H H 8.723 0.030 1 81 13 13 ARG HA H 5.077 0.030 1 82 13 13 ARG HB2 H 1.932 0.030 2 83 13 13 ARG HB3 H 1.766 0.030 2 84 13 13 ARG HD2 H 3.117 0.030 1 85 13 13 ARG HD3 H 3.117 0.030 1 86 13 13 ARG HE H 8.109 0.030 1 87 13 13 ARG HG2 H 1.589 0.030 2 88 13 13 ARG HG3 H 1.471 0.030 2 89 13 13 ARG C C 175.576 0.300 1 90 13 13 ARG CA C 55.332 0.300 1 91 13 13 ARG CB C 30.433 0.300 1 92 13 13 ARG CD C 43.189 0.300 1 93 13 13 ARG CG C 27.289 0.300 1 94 13 13 ARG N N 126.065 0.300 1 95 13 13 ARG NE N 85.540 0.300 1 96 14 14 VAL H H 9.414 0.030 1 97 14 14 VAL HA H 4.587 0.030 1 98 14 14 VAL HB H 1.995 0.030 1 99 14 14 VAL HG1 H 0.655 0.030 1 100 14 14 VAL HG2 H 0.735 0.030 1 101 14 14 VAL C C 174.454 0.300 1 102 14 14 VAL CA C 61.055 0.300 1 103 14 14 VAL CB C 32.904 0.300 1 104 14 14 VAL CG1 C 22.192 0.300 2 105 14 14 VAL CG2 C 20.547 0.300 2 106 14 14 VAL N N 128.091 0.300 1 107 15 15 GLU H H 8.498 0.030 1 108 15 15 GLU HA H 5.040 0.030 1 109 15 15 GLU HB2 H 2.102 0.030 2 110 15 15 GLU HB3 H 2.165 0.030 2 111 15 15 GLU HG2 H 2.323 0.030 2 112 15 15 GLU HG3 H 2.202 0.030 2 113 15 15 GLU C C 175.445 0.300 1 114 15 15 GLU CA C 55.516 0.300 1 115 15 15 GLU CB C 32.340 0.300 1 116 15 15 GLU CG C 36.662 0.300 1 117 15 15 GLU N N 128.524 0.300 1 118 16 16 TYR H H 8.840 0.030 1 119 16 16 TYR HA H 5.054 0.030 1 120 16 16 TYR HB2 H 2.774 0.030 2 121 16 16 TYR HB3 H 2.604 0.030 2 122 16 16 TYR HD1 H 7.207 0.030 1 123 16 16 TYR HD2 H 7.207 0.030 1 124 16 16 TYR HE1 H 6.812 0.030 1 125 16 16 TYR HE2 H 6.812 0.030 1 126 16 16 TYR C C 174.060 0.300 1 127 16 16 TYR CA C 56.916 0.300 1 128 16 16 TYR CB C 40.700 0.300 1 129 16 16 TYR CD1 C 133.323 0.300 1 130 16 16 TYR CD2 C 133.323 0.300 1 131 16 16 TYR CE1 C 118.061 0.300 1 132 16 16 TYR CE2 C 118.061 0.300 1 133 16 16 TYR N N 124.120 0.300 1 134 17 17 ARG H H 9.009 0.030 1 135 17 17 ARG HA H 3.542 0.030 1 136 17 17 ARG HB2 H 1.582 0.030 2 137 17 17 ARG HB3 H 1.462 0.030 2 138 17 17 ARG HD2 H 2.744 0.030 2 139 17 17 ARG HD3 H 2.860 0.030 2 140 17 17 ARG HG2 H 0.703 0.030 2 141 17 17 ARG HG3 H 1.176 0.030 2 142 17 17 ARG C C 175.235 0.300 1 143 17 17 ARG CA C 58.605 0.300 1 144 17 17 ARG CB C 27.416 0.300 1 145 17 17 ARG CD C 43.962 0.300 1 146 17 17 ARG CG C 27.371 0.300 1 147 17 17 ARG N N 125.511 0.300 1 148 18 18 ASP H H 8.573 0.030 1 149 18 18 ASP HA H 4.489 0.030 1 150 18 18 ASP HB2 H 2.905 0.030 2 151 18 18 ASP HB3 H 2.691 0.030 2 152 18 18 ASP C C 175.115 0.300 1 153 18 18 ASP CA C 54.605 0.300 1 154 18 18 ASP CB C 40.093 0.300 1 155 18 18 ASP N N 118.587 0.300 1 156 19 19 ARG H H 8.418 0.030 1 157 19 19 ARG HA H 4.674 0.030 1 158 19 19 ARG HB2 H 1.893 0.030 2 159 19 19 ARG HB3 H 2.013 0.030 2 160 19 19 ARG HD2 H 3.197 0.030 2 161 19 19 ARG HD3 H 3.267 0.030 2 162 19 19 ARG HG2 H 1.723 0.030 1 163 19 19 ARG HG3 H 1.723 0.030 1 164 19 19 ARG C C 174.620 0.300 1 165 19 19 ARG CA C 54.983 0.300 1 166 19 19 ARG CB C 32.947 0.300 1 167 19 19 ARG CD C 43.704 0.300 1 168 19 19 ARG CG C 26.714 0.300 1 169 19 19 ARG N N 120.610 0.300 1 170 20 20 ASN H H 8.449 0.030 1 171 20 20 ASN HA H 5.609 0.030 1 172 20 20 ASN HB2 H 2.352 0.030 2 173 20 20 ASN HB3 H 2.504 0.030 2 174 20 20 ASN HD21 H 6.787 0.030 2 175 20 20 ASN HD22 H 7.293 0.030 2 176 20 20 ASN C C 174.567 0.300 1 177 20 20 ASN CA C 52.590 0.300 1 178 20 20 ASN CB C 42.141 0.300 1 179 20 20 ASN N N 119.045 0.300 1 180 20 20 ASN ND2 N 112.563 0.300 1 181 21 21 VAL H H 9.234 0.030 1 182 21 21 VAL HA H 4.376 0.030 1 183 21 21 VAL HB H 1.892 0.030 1 184 21 21 VAL HG1 H 0.791 0.030 1 185 21 21 VAL HG2 H 0.808 0.030 1 186 21 21 VAL C C 173.778 0.300 1 187 21 21 VAL CA C 60.765 0.300 1 188 21 21 VAL CB C 34.913 0.300 1 189 21 21 VAL CG1 C 20.629 0.300 2 190 21 21 VAL CG2 C 21.832 0.300 2 191 21 21 VAL N N 122.048 0.300 1 192 22 22 ASP H H 8.565 0.030 1 193 22 22 ASP HA H 5.710 0.030 1 194 22 22 ASP HB2 H 2.579 0.030 2 195 22 22 ASP HB3 H 2.510 0.030 2 196 22 22 ASP C C 175.636 0.300 1 197 22 22 ASP CA C 53.891 0.300 1 198 22 22 ASP CB C 42.420 0.300 1 199 22 22 ASP N N 126.124 0.300 1 200 23 23 VAL H H 9.418 0.030 1 201 23 23 VAL HA H 4.465 0.030 1 202 23 23 VAL HB H 2.114 0.030 1 203 23 23 VAL HG1 H 0.963 0.030 1 204 23 23 VAL HG2 H 0.850 0.030 1 205 23 23 VAL C C 174.137 0.300 1 206 23 23 VAL CA C 61.098 0.300 1 207 23 23 VAL CB C 35.239 0.300 1 208 23 23 VAL CG1 C 22.192 0.300 2 209 23 23 VAL CG2 C 20.712 0.300 2 210 23 23 VAL N N 123.313 0.300 1 211 24 24 VAL H H 8.458 0.030 1 212 24 24 VAL HA H 5.437 0.030 1 213 24 24 VAL HB H 1.940 0.030 1 214 24 24 VAL HG1 H 0.910 0.030 1 215 24 24 VAL C C 175.308 0.300 1 216 24 24 VAL CA C 60.752 0.300 1 217 24 24 VAL CB C 34.075 0.300 1 218 24 24 VAL CG1 C 20.958 0.300 2 219 24 24 VAL CG2 C 20.958 0.300 2 220 24 24 VAL N N 127.341 0.300 1 221 25 25 LEU H H 8.881 0.030 1 222 25 25 LEU HA H 4.833 0.030 1 223 25 25 LEU HB2 H 1.754 0.030 1 224 25 25 LEU HB3 H 1.754 0.030 1 225 25 25 LEU HD1 H 0.711 0.030 1 226 25 25 LEU HD2 H 0.914 0.030 1 227 25 25 LEU HG H 1.768 0.030 1 228 25 25 LEU C C 174.428 0.300 1 229 25 25 LEU CA C 54.618 0.300 1 230 25 25 LEU CB C 45.350 0.300 1 231 25 25 LEU CD1 C 26.849 0.300 2 232 25 25 LEU CD2 C 24.823 0.300 2 233 25 25 LEU CG C 27.125 0.300 1 234 25 25 LEU N N 126.804 0.300 1 235 26 26 GLU H H 8.546 0.030 1 236 26 26 GLU HA H 4.833 0.030 1 237 26 26 GLU HB2 H 2.092 0.030 2 238 26 26 GLU HB3 H 2.179 0.030 2 239 26 26 GLU HG2 H 2.514 0.030 2 240 26 26 GLU HG3 H 2.387 0.030 2 241 26 26 GLU C C 177.983 0.300 1 242 26 26 GLU CA C 56.992 0.300 1 243 26 26 GLU CB C 31.472 0.300 1 244 26 26 GLU CG C 38.063 0.300 1 245 26 26 GLU N N 121.992 0.300 1 246 27 27 ASP H H 8.786 0.030 1 247 27 27 ASP HA H 4.214 0.030 1 248 27 27 ASP HB2 H 2.586 0.030 2 249 27 27 ASP HB3 H 2.752 0.030 2 250 27 27 ASP C C 174.717 0.300 1 251 27 27 ASP CA C 55.544 0.300 1 252 27 27 ASP CB C 39.672 0.300 1 253 27 27 ASP N N 120.995 0.300 1 254 28 28 THR H H 7.135 0.030 1 255 28 28 THR HA H 4.099 0.030 1 256 28 28 THR HB H 4.466 0.030 1 257 28 28 THR HG2 H 1.305 0.030 1 258 28 28 THR C C 176.102 0.300 1 259 28 28 THR CA C 61.786 0.300 1 260 28 28 THR CB C 68.686 0.300 1 261 28 28 THR CG2 C 22.849 0.300 1 262 28 28 THR N N 107.334 0.300 1 263 29 29 CYS H H 7.952 0.030 1 264 29 29 CYS HA H 4.582 0.030 1 265 29 29 CYS HB2 H 3.042 0.030 2 266 29 29 CYS HB3 H 2.984 0.030 2 267 29 29 CYS C C 173.132 0.300 1 268 29 29 CYS CA C 60.293 0.300 1 269 29 29 CYS CB C 29.436 0.300 1 270 29 29 CYS N N 120.879 0.300 1 271 30 30 THR H H 8.393 0.030 1 272 30 30 THR HA H 5.262 0.030 1 273 30 30 THR HB H 4.689 0.030 1 274 30 30 THR HG2 H 1.155 0.030 1 275 30 30 THR C C 176.636 0.300 1 276 30 30 THR CA C 59.608 0.300 1 277 30 30 THR CB C 72.149 0.300 1 278 30 30 THR CG2 C 22.274 0.300 1 279 30 30 THR N N 109.339 0.300 1 280 31 31 VAL H H 8.033 0.030 1 281 31 31 VAL HA H 3.374 0.030 1 282 31 31 VAL HB H 2.231 0.030 1 283 31 31 VAL HG1 H 0.922 0.030 1 284 31 31 VAL HG2 H 0.606 0.030 1 285 31 31 VAL C C 179.140 0.300 1 286 31 31 VAL CA C 66.942 0.300 1 287 31 31 VAL CB C 31.903 0.300 1 288 31 31 VAL CG1 C 21.698 0.300 2 289 31 31 VAL CG2 C 23.589 0.300 2 290 31 31 VAL N N 121.273 0.300 1 291 32 32 GLY H H 9.547 0.030 1 292 32 32 GLY HA2 H 3.500 0.030 2 293 32 32 GLY HA3 H 3.964 0.030 2 294 32 32 GLY C C 176.521 0.300 1 295 32 32 GLY CA C 46.734 0.300 1 296 32 32 GLY N N 106.836 0.300 1 297 33 33 GLU H H 7.879 0.030 1 298 33 33 GLU HA H 4.017 0.030 1 299 33 33 GLU HB2 H 2.127 0.030 2 300 33 33 GLU HB3 H 2.411 0.030 2 301 33 33 GLU HG2 H 2.358 0.030 2 302 33 33 GLU HG3 H 2.318 0.030 2 303 33 33 GLU C C 179.459 0.300 1 304 33 33 GLU CA C 59.923 0.300 1 305 33 33 GLU CB C 29.328 0.300 1 306 33 33 GLU CG C 38.636 0.300 1 307 33 33 GLU N N 122.503 0.300 1 308 34 34 ILE H H 7.712 0.030 1 309 34 34 ILE HA H 3.462 0.030 1 310 34 34 ILE HB H 2.018 0.030 1 311 34 34 ILE HD1 H 0.214 0.030 1 312 34 34 ILE HG12 H 0.362 0.030 2 313 34 34 ILE HG13 H 1.661 0.030 2 314 34 34 ILE HG2 H 0.499 0.030 1 315 34 34 ILE C C 178.425 0.300 1 316 34 34 ILE CA C 66.130 0.300 1 317 34 34 ILE CB C 37.489 0.300 1 318 34 34 ILE CD1 C 13.500 0.300 1 319 34 34 ILE CG1 C 28.851 0.300 1 320 34 34 ILE CG2 C 16.518 0.300 1 321 34 34 ILE N N 119.579 0.300 1 322 35 35 LYS H H 7.070 0.030 1 323 35 35 LYS HA H 3.781 0.030 1 324 35 35 LYS HB2 H 2.078 0.030 2 325 35 35 LYS HB3 H 1.999 0.030 2 326 35 35 LYS HD2 H 1.767 0.030 1 327 35 35 LYS HD3 H 1.767 0.030 1 328 35 35 LYS HE2 H 2.859 0.030 2 329 35 35 LYS HE3 H 2.799 0.030 2 330 35 35 LYS HG2 H 1.146 0.030 2 331 35 35 LYS HG3 H 1.554 0.030 2 332 35 35 LYS C C 177.391 0.300 1 333 35 35 LYS CA C 60.706 0.300 1 334 35 35 LYS CB C 32.517 0.300 1 335 35 35 LYS CD C 30.380 0.300 1 336 35 35 LYS CE C 42.619 0.300 1 337 35 35 LYS CG C 27.618 0.300 1 338 35 35 LYS N N 115.779 0.300 1 339 36 36 GLN H H 7.673 0.030 1 340 36 36 GLN HA H 3.823 0.030 1 341 36 36 GLN HB2 H 2.187 0.030 2 342 36 36 GLN HB3 H 2.154 0.030 2 343 36 36 GLN HE21 H 6.901 0.030 2 344 36 36 GLN HE22 H 7.417 0.030 2 345 36 36 GLN HG2 H 2.427 0.030 1 346 36 36 GLN HG3 H 2.427 0.030 1 347 36 36 GLN C C 178.703 0.300 1 348 36 36 GLN CA C 59.100 0.300 1 349 36 36 GLN CB C 28.687 0.300 1 350 36 36 GLN CG C 34.203 0.300 1 351 36 36 GLN N N 117.027 0.300 1 352 36 36 GLN NE2 N 112.743 0.300 1 353 37 37 ILE H H 7.557 0.030 1 354 37 37 ILE HA H 3.873 0.030 1 355 37 37 ILE HB H 1.971 0.030 1 356 37 37 ILE HD1 H 0.933 0.030 1 357 37 37 ILE HG12 H 1.841 0.030 2 358 37 37 ILE HG13 H 1.276 0.030 2 359 37 37 ILE HG2 H 1.020 0.030 1 360 37 37 ILE C C 178.951 0.300 1 361 37 37 ILE CA C 65.016 0.300 1 362 37 37 ILE CB C 38.105 0.300 1 363 37 37 ILE CD1 C 14.052 0.300 1 364 37 37 ILE CG1 C 29.427 0.300 1 365 37 37 ILE CG2 C 17.998 0.300 1 366 37 37 ILE N N 120.914 0.300 1 367 38 38 LEU H H 8.116 0.030 1 368 38 38 LEU HA H 3.842 0.030 1 369 38 38 LEU HB2 H 2.040 0.030 2 370 38 38 LEU HB3 H 1.079 0.030 2 371 38 38 LEU HD1 H 0.718 0.030 1 372 38 38 LEU HD2 H 0.599 0.030 1 373 38 38 LEU HG H 1.892 0.030 1 374 38 38 LEU C C 178.201 0.300 1 375 38 38 LEU CA C 57.609 0.300 1 376 38 38 LEU CB C 41.594 0.300 1 377 38 38 LEU CD1 C 27.700 0.300 2 378 38 38 LEU CD2 C 21.863 0.300 2 379 38 38 LEU CG C 26.113 0.300 1 380 38 38 LEU N N 118.963 0.300 1 381 39 39 GLU H H 8.503 0.030 1 382 39 39 GLU HA H 4.271 0.030 1 383 39 39 GLU HB2 H 2.103 0.030 2 384 39 39 GLU HB3 H 2.166 0.030 2 385 39 39 GLU HG2 H 1.919 0.030 2 386 39 39 GLU HG3 H 2.446 0.030 2 387 39 39 GLU C C 179.317 0.300 1 388 39 39 GLU CA C 59.647 0.300 1 389 39 39 GLU CB C 29.291 0.300 1 390 39 39 GLU CG C 36.476 0.300 1 391 39 39 GLU N N 123.093 0.300 1 392 40 40 ASN H H 7.410 0.030 1 393 40 40 ASN HA H 4.484 0.030 1 394 40 40 ASN HB2 H 2.948 0.030 2 395 40 40 ASN HB3 H 3.040 0.030 2 396 40 40 ASN HD21 H 6.987 0.030 2 397 40 40 ASN HD22 H 7.746 0.030 2 398 40 40 ASN C C 177.132 0.300 1 399 40 40 ASN CA C 55.853 0.300 1 400 40 40 ASN CB C 38.840 0.300 1 401 40 40 ASN N N 116.339 0.300 1 402 40 40 ASN ND2 N 113.496 0.300 1 403 41 41 GLU H H 7.964 0.030 1 404 41 41 GLU HA H 4.261 0.030 1 405 41 41 GLU HB2 H 2.126 0.030 2 406 41 41 GLU HB3 H 1.824 0.030 2 407 41 41 GLU HG2 H 2.191 0.030 2 408 41 41 GLU HG3 H 2.452 0.030 2 409 41 41 GLU C C 178.150 0.300 1 410 41 41 GLU CA C 58.386 0.300 1 411 41 41 GLU CB C 30.890 0.300 1 412 41 41 GLU CG C 35.347 0.300 1 413 41 41 GLU N N 116.867 0.300 1 414 42 42 LEU H H 8.940 0.030 1 415 42 42 LEU HA H 4.326 0.030 1 416 42 42 LEU HB2 H 1.575 0.030 2 417 42 42 LEU HB3 H 1.269 0.030 2 418 42 42 LEU HD1 H 0.510 0.030 1 419 42 42 LEU HD2 H 0.800 0.030 1 420 42 42 LEU HG H 1.591 0.030 1 421 42 42 LEU C C 176.654 0.300 1 422 42 42 LEU CA C 54.558 0.300 1 423 42 42 LEU CB C 42.864 0.300 1 424 42 42 LEU CD1 C 25.692 0.300 2 425 42 42 LEU CD2 C 22.079 0.300 2 426 42 42 LEU CG C 26.825 0.300 1 427 42 42 LEU N N 114.675 0.300 1 428 43 43 GLN H H 7.751 0.030 1 429 43 43 GLN HA H 3.973 0.030 1 430 43 43 GLN HB2 H 2.341 0.030 2 431 43 43 GLN HB3 H 2.177 0.030 2 432 43 43 GLN HE21 H 5.574 0.030 2 433 43 43 GLN HE22 H 6.790 0.030 2 434 43 43 GLN HG2 H 2.267 0.030 2 435 43 43 GLN HG3 H 2.215 0.030 2 436 43 43 GLN C C 174.760 0.300 1 437 43 43 GLN CA C 56.817 0.300 1 438 43 43 GLN CB C 25.349 0.300 1 439 43 43 GLN CG C 34.442 0.300 1 440 43 43 GLN N N 113.496 0.300 1 441 43 43 GLN NE2 N 111.417 0.300 1 442 44 44 ILE H H 6.609 0.030 1 443 44 44 ILE HA H 4.528 0.030 1 444 44 44 ILE HB H 1.211 0.030 1 445 44 44 ILE HD1 H 0.277 0.030 1 446 44 44 ILE HG12 H 1.204 0.030 2 447 44 44 ILE HG13 H 0.725 0.030 2 448 44 44 ILE HG2 H 0.753 0.030 1 449 44 44 ILE C C 172.263 0.300 1 450 44 44 ILE CA C 57.021 0.300 1 451 44 44 ILE CB C 42.136 0.300 1 452 44 44 ILE CD1 C 13.933 0.300 1 453 44 44 ILE CG1 C 25.670 0.300 1 454 44 44 ILE CG2 C 17.333 0.300 1 455 44 44 ILE N N 116.793 0.300 1 456 45 45 PRO HA H 4.589 0.030 1 457 45 45 PRO HB2 H 2.360 0.030 2 458 45 45 PRO HB3 H 1.787 0.030 2 459 45 45 PRO HD2 H 3.349 0.030 2 460 45 45 PRO HD3 H 3.830 0.030 2 461 45 45 PRO HG2 H 1.979 0.030 1 462 45 45 PRO HG3 H 1.979 0.030 1 463 45 45 PRO C C 179.559 0.300 1 464 45 45 PRO CA C 62.334 0.300 1 465 45 45 PRO CB C 32.419 0.300 1 466 45 45 PRO CD C 50.640 0.300 1 467 45 45 PRO CG C 27.947 0.300 1 468 46 46 VAL H H 8.599 0.030 1 469 46 46 VAL HA H 3.700 0.030 1 470 46 46 VAL HB H 2.024 0.030 1 471 46 46 VAL HG1 H 0.948 0.030 1 472 46 46 VAL HG2 H 0.997 0.030 1 473 46 46 VAL C C 178.731 0.300 1 474 46 46 VAL CA C 66.573 0.300 1 475 46 46 VAL CB C 32.273 0.300 1 476 46 46 VAL CG1 C 21.832 0.300 2 477 46 46 VAL CG2 C 21.408 0.300 2 478 46 46 VAL N N 121.436 0.300 1 479 47 47 SER H H 8.303 0.030 1 480 47 47 SER HA H 4.187 0.030 1 481 47 47 SER HB2 H 3.973 0.030 2 482 47 47 SER HB3 H 3.917 0.030 2 483 47 47 SER C C 175.598 0.300 1 484 47 47 SER CA C 60.329 0.300 1 485 47 47 SER CB C 62.569 0.300 1 486 47 47 SER N N 112.569 0.300 1 487 48 48 LYS H H 7.746 0.030 1 488 48 48 LYS HA H 4.490 0.030 1 489 48 48 LYS HB2 H 1.954 0.030 2 490 48 48 LYS HB3 H 1.702 0.030 2 491 48 48 LYS HD2 H 1.672 0.030 2 492 48 48 LYS HD3 H 1.535 0.030 2 493 48 48 LYS HE2 H 2.988 0.030 2 494 48 48 LYS HE3 H 2.904 0.030 2 495 48 48 LYS HG2 H 1.385 0.030 2 496 48 48 LYS HG3 H 1.425 0.030 2 497 48 48 LYS C C 175.510 0.300 1 498 48 48 LYS CA C 54.496 0.300 1 499 48 48 LYS CB C 33.060 0.300 1 500 48 48 LYS CD C 28.718 0.300 1 501 48 48 LYS CE C 42.253 0.300 1 502 48 48 LYS CG C 24.905 0.300 1 503 48 48 LYS N N 119.143 0.300 1 504 49 49 MET H H 7.434 0.030 1 505 49 49 MET HA H 4.435 0.030 1 506 49 49 MET HB2 H 2.026 0.030 2 507 49 49 MET HB3 H 1.598 0.030 2 508 49 49 MET HE H 1.829 0.030 1 509 49 49 MET HG2 H 2.398 0.030 1 510 49 49 MET HG3 H 2.398 0.030 1 511 49 49 MET C C 174.917 0.300 1 512 49 49 MET CA C 56.263 0.300 1 513 49 49 MET CB C 36.304 0.300 1 514 49 49 MET CE C 17.305 0.300 1 515 49 49 MET CG C 32.058 0.300 1 516 49 49 MET N N 117.100 0.300 1 517 50 50 LEU H H 8.858 0.030 1 518 50 50 LEU HA H 4.685 0.030 1 519 50 50 LEU HB2 H 1.716 0.030 2 520 50 50 LEU HB3 H 1.439 0.030 2 521 50 50 LEU HD1 H 0.903 0.030 1 522 50 50 LEU HD2 H 0.903 0.030 1 523 50 50 LEU HG H 1.573 0.030 1 524 50 50 LEU C C 175.010 0.300 1 525 50 50 LEU CA C 53.901 0.300 1 526 50 50 LEU CB C 43.066 0.300 1 527 50 50 LEU CD1 C 25.234 0.300 2 528 50 50 LEU CD2 C 23.969 0.300 2 529 50 50 LEU CG C 27.371 0.300 1 530 50 50 LEU N N 124.227 0.300 1 531 51 51 LEU H H 8.709 0.030 1 532 51 51 LEU HA H 4.837 0.030 1 533 51 51 LEU HB2 H 1.843 0.030 2 534 51 51 LEU HB3 H 1.222 0.030 2 535 51 51 LEU HD1 H 0.781 0.030 1 536 51 51 LEU HD2 H 0.707 0.030 1 537 51 51 LEU HG H 1.380 0.030 1 538 51 51 LEU C C 175.090 0.300 1 539 51 51 LEU CA C 53.979 0.300 1 540 51 51 LEU CB C 44.248 0.300 1 541 51 51 LEU CD1 C 25.989 0.300 2 542 51 51 LEU CD2 C 25.152 0.300 2 543 51 51 LEU CG C 26.818 0.300 1 544 51 51 LEU N N 125.232 0.300 1 545 52 52 LYS H H 8.961 0.030 1 546 52 52 LYS HA H 4.756 0.030 1 547 52 52 LYS HB2 H 1.486 0.030 2 548 52 52 LYS HB3 H 0.526 0.030 2 549 52 52 LYS HD2 H 1.689 0.030 1 550 52 52 LYS HD3 H 1.689 0.030 1 551 52 52 LYS HE2 H 2.920 0.030 2 552 52 52 LYS HE3 H 3.066 0.030 2 553 52 52 LYS HG2 H 1.209 0.030 1 554 52 52 LYS HG3 H 1.209 0.030 1 555 52 52 LYS C C 174.053 0.300 1 556 52 52 LYS CA C 53.766 0.300 1 557 52 52 LYS CB C 35.329 0.300 1 558 52 52 LYS CD C 28.769 0.300 1 559 52 52 LYS CE C 42.007 0.300 1 560 52 52 LYS CG C 24.414 0.300 1 561 52 52 LYS N N 126.079 0.300 1 562 53 53 GLY H H 8.269 0.030 1 563 53 53 GLY HA2 H 3.707 0.030 2 564 53 53 GLY HA3 H 4.576 0.030 2 565 53 53 GLY C C 174.562 0.300 1 566 53 53 GLY CA C 44.570 0.300 1 567 53 53 GLY N N 104.247 0.300 1 568 54 54 TRP H H 6.991 0.030 1 569 54 54 TRP HA H 4.593 0.030 1 570 54 54 TRP HB2 H 3.412 0.030 2 571 54 54 TRP HB3 H 3.591 0.030 2 572 54 54 TRP HD1 H 7.497 0.030 1 573 54 54 TRP HE1 H 9.609 0.030 1 574 54 54 TRP HE3 H 7.858 0.030 1 575 54 54 TRP HH2 H 6.642 0.030 1 576 54 54 TRP HZ2 H 6.933 0.030 1 577 54 54 TRP HZ3 H 7.068 0.030 1 578 54 54 TRP C C 178.240 0.300 1 579 54 54 TRP CA C 55.054 0.300 1 580 54 54 TRP CB C 29.988 0.300 1 581 54 54 TRP CD1 C 127.726 0.300 1 582 54 54 TRP CE3 C 121.228 0.300 1 583 54 54 TRP CH2 C 124.173 0.300 1 584 54 54 TRP CZ2 C 114.492 0.300 1 585 54 54 TRP CZ3 C 121.239 0.300 1 586 54 54 TRP N N 121.889 0.300 1 587 54 54 TRP NE1 N 127.478 0.300 1 588 55 55 LYS H H 9.922 0.030 1 589 55 55 LYS HA H 4.327 0.030 1 590 55 55 LYS HB2 H 2.096 0.030 1 591 55 55 LYS HB3 H 2.096 0.030 1 592 55 55 LYS HD2 H 1.836 0.030 1 593 55 55 LYS HD3 H 1.836 0.030 1 594 55 55 LYS HE2 H 3.130 0.030 1 595 55 55 LYS HE3 H 3.130 0.030 1 596 55 55 LYS HG2 H 1.732 0.030 2 597 55 55 LYS HG3 H 1.650 0.030 2 598 55 55 LYS C C 177.705 0.300 1 599 55 55 LYS CA C 58.377 0.300 1 600 55 55 LYS CB C 32.475 0.300 1 601 55 55 LYS CD C 28.956 0.300 1 602 55 55 LYS CE C 42.500 0.300 1 603 55 55 LYS CG C 25.316 0.300 1 604 55 55 LYS N N 124.360 0.300 1 605 56 56 THR H H 7.617 0.030 1 606 56 56 THR HA H 4.500 0.030 1 607 56 56 THR HB H 4.388 0.030 1 608 56 56 THR HG2 H 1.226 0.030 1 609 56 56 THR C C 174.340 0.300 1 610 56 56 THR CA C 60.874 0.300 1 611 56 56 THR CB C 69.493 0.300 1 612 56 56 THR CG2 C 21.622 0.300 1 613 56 56 THR N N 107.408 0.300 1 614 57 57 GLY H H 7.902 0.030 1 615 57 57 GLY HA2 H 3.939 0.030 2 616 57 57 GLY HA3 H 4.206 0.030 2 617 57 57 GLY C C 173.215 0.300 1 618 57 57 GLY CA C 45.157 0.300 1 619 57 57 GLY N N 109.625 0.300 1 620 58 58 ASP H H 8.282 0.030 1 621 58 58 ASP HA H 4.756 0.030 1 622 58 58 ASP HB2 H 2.559 0.030 2 623 58 58 ASP HB3 H 2.657 0.030 2 624 58 58 ASP C C 175.677 0.300 1 625 58 58 ASP CA C 54.579 0.300 1 626 58 58 ASP CB C 40.947 0.300 1 627 58 58 ASP N N 120.153 0.300 1 628 59 59 VAL H H 7.674 0.030 1 629 59 59 VAL HA H 3.972 0.030 1 630 59 59 VAL HB H 1.291 0.030 1 631 59 59 VAL HG1 H 0.227 0.030 1 632 59 59 VAL HG2 H 0.174 0.030 1 633 59 59 VAL C C 175.438 0.300 1 634 59 59 VAL CA C 61.667 0.300 1 635 59 59 VAL CB C 33.836 0.300 1 636 59 59 VAL CG1 C 22.240 0.300 2 637 59 59 VAL CG2 C 20.645 0.300 2 638 59 59 VAL N N 119.529 0.300 1 639 60 60 GLU H H 8.570 0.030 1 640 60 60 GLU HA H 4.489 0.030 1 641 60 60 GLU HB2 H 2.189 0.030 2 642 60 60 GLU HB3 H 1.872 0.030 2 643 60 60 GLU HG2 H 2.249 0.030 2 644 60 60 GLU HG3 H 2.201 0.030 2 645 60 60 GLU C C 177.775 0.300 1 646 60 60 GLU CA C 55.409 0.300 1 647 60 60 GLU CB C 31.763 0.300 1 648 60 60 GLU CG C 36.333 0.300 1 649 60 60 GLU N N 124.952 0.300 1 650 61 61 ASP H H 8.947 0.030 1 651 61 61 ASP HA H 4.269 0.030 1 652 61 61 ASP HB2 H 2.644 0.030 2 653 61 61 ASP HB3 H 2.524 0.030 2 654 61 61 ASP C C 177.269 0.300 1 655 61 61 ASP CA C 57.231 0.300 1 656 61 61 ASP CB C 39.938 0.300 1 657 61 61 ASP N N 121.684 0.300 1 658 62 62 SER H H 7.753 0.030 1 659 62 62 SER HA H 4.286 0.030 1 660 62 62 SER HB2 H 4.059 0.030 2 661 62 62 SER HB3 H 3.822 0.030 2 662 62 62 SER C C 174.388 0.300 1 663 62 62 SER CA C 58.244 0.300 1 664 62 62 SER CB C 63.233 0.300 1 665 62 62 SER N N 109.365 0.300 1 666 63 63 THR H H 7.700 0.030 1 667 63 63 THR HA H 3.778 0.030 1 668 63 63 THR HB H 3.923 0.030 1 669 63 63 THR HG2 H 0.992 0.030 1 670 63 63 THR C C 173.292 0.300 1 671 63 63 THR CA C 64.746 0.300 1 672 63 63 THR CB C 69.135 0.300 1 673 63 63 THR CG2 C 21.926 0.300 1 674 63 63 THR N N 121.445 0.300 1 675 64 64 VAL H H 8.757 0.030 1 676 64 64 VAL HA H 3.922 0.030 1 677 64 64 VAL HB H 2.018 0.030 1 678 64 64 VAL HG1 H 1.090 0.030 1 679 64 64 VAL HG2 H 1.033 0.030 1 680 64 64 VAL C C 178.497 0.300 1 681 64 64 VAL CA C 62.709 0.300 1 682 64 64 VAL CB C 32.044 0.300 1 683 64 64 VAL CG1 C 22.021 0.300 2 684 64 64 VAL CG2 C 22.321 0.300 2 685 64 64 VAL N N 128.657 0.300 1 686 65 65 LEU H H 9.275 0.030 1 687 65 65 LEU HA H 3.762 0.030 1 688 65 65 LEU HB2 H 2.079 0.030 2 689 65 65 LEU HB3 H 1.272 0.030 2 690 65 65 LEU HD1 H 0.867 0.030 1 691 65 65 LEU HD2 H 0.826 0.030 1 692 65 65 LEU HG H 1.689 0.030 1 693 65 65 LEU C C 180.921 0.300 1 694 65 65 LEU CA C 59.340 0.300 1 695 65 65 LEU CB C 41.126 0.300 1 696 65 65 LEU CD1 C 26.056 0.300 2 697 65 65 LEU CD2 C 24.100 0.300 2 698 65 65 LEU CG C 27.125 0.300 1 699 65 65 LEU N N 131.344 0.300 1 700 66 66 LYS H H 8.847 0.030 1 701 66 66 LYS HA H 4.134 0.030 1 702 66 66 LYS HB2 H 1.641 0.030 2 703 66 66 LYS HB3 H 1.801 0.030 2 704 66 66 LYS HD2 H 1.580 0.030 2 705 66 66 LYS HD3 H 1.631 0.030 2 706 66 66 LYS HE2 H 2.944 0.030 1 707 66 66 LYS HE3 H 2.944 0.030 1 708 66 66 LYS HG2 H 1.346 0.030 1 709 66 66 LYS HG3 H 1.346 0.030 1 710 66 66 LYS C C 177.588 0.300 1 711 66 66 LYS CA C 59.236 0.300 1 712 66 66 LYS CB C 32.605 0.300 1 713 66 66 LYS CD C 29.430 0.300 1 714 66 66 LYS CE C 41.842 0.300 1 715 66 66 LYS CG C 24.000 0.300 1 716 66 66 LYS N N 120.616 0.300 1 717 67 67 SER H H 7.692 0.030 1 718 67 67 SER HA H 4.117 0.030 1 719 67 67 SER HB2 H 3.926 0.030 2 720 67 67 SER HB3 H 4.005 0.030 2 721 67 67 SER C C 174.354 0.300 1 722 67 67 SER CA C 60.510 0.300 1 723 67 67 SER CB C 63.673 0.300 1 724 67 67 SER N N 113.704 0.300 1 725 68 68 LEU H H 7.504 0.030 1 726 68 68 LEU HA H 4.285 0.030 1 727 68 68 LEU HB2 H 1.945 0.030 2 728 68 68 LEU HB3 H 1.602 0.030 2 729 68 68 LEU HD1 H 0.478 0.030 1 730 68 68 LEU HD2 H 0.659 0.030 1 731 68 68 LEU HG H 1.345 0.030 1 732 68 68 LEU C C 176.392 0.300 1 733 68 68 LEU CA C 54.594 0.300 1 734 68 68 LEU CB C 42.137 0.300 1 735 68 68 LEU CD1 C 26.014 0.300 2 736 68 68 LEU CD2 C 22.069 0.300 2 737 68 68 LEU CG C 26.581 0.300 1 738 68 68 LEU N N 119.484 0.300 1 739 69 69 HIS H H 7.379 0.030 1 740 69 69 HIS HA H 4.196 0.030 1 741 69 69 HIS HB2 H 3.152 0.030 2 742 69 69 HIS HB3 H 3.269 0.030 2 743 69 69 HIS HD2 H 7.063 0.030 1 744 69 69 HIS C C 174.694 0.300 1 745 69 69 HIS CA C 56.882 0.300 1 746 69 69 HIS CB C 27.328 0.300 1 747 69 69 HIS CD2 C 120.348 0.300 1 748 69 69 HIS N N 116.151 0.300 1 749 70 70 LEU H H 9.360 0.030 1 750 70 70 LEU HA H 4.469 0.030 1 751 70 70 LEU HB2 H 2.191 0.030 2 752 70 70 LEU HB3 H 1.822 0.030 2 753 70 70 LEU HD1 H 1.209 0.030 1 754 70 70 LEU HD2 H 1.273 0.030 1 755 70 70 LEU HG H 1.710 0.030 1 756 70 70 LEU C C 176.608 0.300 1 757 70 70 LEU CA C 53.889 0.300 1 758 70 70 LEU CB C 40.672 0.300 1 759 70 70 LEU CD1 C 22.307 0.300 2 760 70 70 LEU CD2 C 26.996 0.300 2 761 70 70 LEU CG C 26.996 0.300 1 762 70 70 LEU N N 121.466 0.300 1 763 71 71 PRO HA H 4.662 0.030 1 764 71 71 PRO HB2 H 2.302 0.030 2 765 71 71 PRO HB3 H 2.193 0.030 2 766 71 71 PRO HD2 H 3.773 0.030 2 767 71 71 PRO HD3 H 4.065 0.030 2 768 71 71 PRO HG2 H 1.964 0.030 2 769 71 71 PRO HG3 H 2.022 0.030 2 770 71 71 PRO C C 173.664 0.300 1 771 71 71 PRO CA C 62.048 0.300 1 772 71 71 PRO CB C 32.075 0.300 1 773 71 71 PRO CD C 49.595 0.300 1 774 71 71 PRO CG C 26.419 0.300 1 775 72 72 LYS H H 8.116 0.030 1 776 72 72 LYS HA H 3.828 0.030 1 777 72 72 LYS HB2 H 1.692 0.030 2 778 72 72 LYS HB3 H 1.835 0.030 2 779 72 72 LYS HD2 H 1.770 0.030 2 780 72 72 LYS HD3 H 1.640 0.030 2 781 72 72 LYS HE2 H 2.981 0.030 1 782 72 72 LYS HE3 H 2.981 0.030 1 783 72 72 LYS HG2 H 1.483 0.030 2 784 72 72 LYS HG3 H 1.443 0.030 2 785 72 72 LYS C C 175.036 0.300 1 786 72 72 LYS CA C 59.795 0.300 1 787 72 72 LYS CB C 32.877 0.300 1 788 72 72 LYS CD C 29.193 0.300 1 789 72 72 LYS CE C 42.418 0.300 1 790 72 72 LYS CG C 24.905 0.300 1 791 72 72 LYS N N 116.960 0.300 1 792 73 73 ASN H H 7.526 0.030 1 793 73 73 ASN HA H 5.037 0.030 1 794 73 73 ASN HB2 H 2.480 0.030 2 795 73 73 ASN HB3 H 2.594 0.030 2 796 73 73 ASN HD21 H 6.851 0.030 2 797 73 73 ASN HD22 H 7.617 0.030 2 798 73 73 ASN C C 174.023 0.300 1 799 73 73 ASN CA C 52.935 0.300 1 800 73 73 ASN CB C 40.325 0.300 1 801 73 73 ASN N N 110.958 0.300 1 802 73 73 ASN ND2 N 112.813 0.300 1 803 74 74 ASN H H 7.965 0.030 1 804 74 74 ASN HA H 4.870 0.030 1 805 74 74 ASN HB2 H 2.247 0.030 2 806 74 74 ASN HB3 H 2.044 0.030 2 807 74 74 ASN HD21 H 7.570 0.030 2 808 74 74 ASN HD22 H 6.791 0.030 2 809 74 74 ASN C C 173.901 0.300 1 810 74 74 ASN CA C 53.108 0.300 1 811 74 74 ASN CB C 44.894 0.300 1 812 74 74 ASN N N 120.189 0.300 1 813 74 74 ASN ND2 N 113.698 0.300 1 814 75 75 SER H H 8.904 0.030 1 815 75 75 SER HA H 5.483 0.030 1 816 75 75 SER HB2 H 3.766 0.030 2 817 75 75 SER HB3 H 3.908 0.030 2 818 75 75 SER C C 173.017 0.300 1 819 75 75 SER CA C 57.707 0.300 1 820 75 75 SER CB C 64.708 0.300 1 821 75 75 SER N N 119.409 0.300 1 822 76 76 LEU H H 8.778 0.030 1 823 76 76 LEU HA H 4.974 0.030 1 824 76 76 LEU HB2 H 1.300 0.030 2 825 76 76 LEU HB3 H 1.451 0.030 2 826 76 76 LEU HD1 H 0.185 0.030 1 827 76 76 LEU HD2 H -0.493 0.030 1 828 76 76 LEU HG H 1.095 0.030 1 829 76 76 LEU C C 175.491 0.300 1 830 76 76 LEU CA C 52.976 0.300 1 831 76 76 LEU CB C 48.388 0.300 1 832 76 76 LEU CD1 C 27.125 0.300 2 833 76 76 LEU CD2 C 20.218 0.300 2 834 76 76 LEU CG C 27.040 0.300 1 835 76 76 LEU N N 124.094 0.300 1 836 77 77 TYR H H 8.687 0.030 1 837 77 77 TYR HA H 5.590 0.030 1 838 77 77 TYR HB2 H 2.993 0.030 2 839 77 77 TYR HB3 H 3.135 0.030 2 840 77 77 TYR HD1 H 6.903 0.030 1 841 77 77 TYR HD2 H 6.903 0.030 1 842 77 77 TYR HE1 H 6.653 0.030 1 843 77 77 TYR HE2 H 6.653 0.030 1 844 77 77 TYR C C 172.667 0.300 1 845 77 77 TYR CA C 56.368 0.300 1 846 77 77 TYR CB C 40.988 0.300 1 847 77 77 TYR CD1 C 133.865 0.300 1 848 77 77 TYR CD2 C 133.865 0.300 1 849 77 77 TYR CE1 C 117.677 0.300 1 850 77 77 TYR CE2 C 117.677 0.300 1 851 77 77 TYR N N 117.080 0.300 1 852 78 78 VAL H H 8.621 0.030 1 853 78 78 VAL HA H 5.068 0.030 1 854 78 78 VAL HB H 1.874 0.030 1 855 78 78 VAL HG1 H 0.653 0.030 1 856 78 78 VAL HG2 H 0.695 0.030 1 857 78 78 VAL C C 174.961 0.300 1 858 78 78 VAL CA C 59.871 0.300 1 859 78 78 VAL CB C 34.651 0.300 1 860 78 78 VAL CG1 C 22.356 0.300 2 861 78 78 VAL CG2 C 23.121 0.300 2 862 78 78 VAL N N 119.917 0.300 1 863 79 79 LEU H H 8.899 0.030 1 864 79 79 LEU HA H 5.174 0.030 1 865 79 79 LEU HB2 H 1.698 0.030 2 866 79 79 LEU HB3 H 1.773 0.030 2 867 79 79 LEU HD1 H 1.080 0.030 1 868 79 79 LEU HD2 H 1.166 0.030 1 869 79 79 LEU HG H 1.774 0.030 1 870 79 79 LEU C C 176.554 0.300 1 871 79 79 LEU CA C 53.293 0.300 1 872 79 79 LEU CB C 45.578 0.300 1 873 79 79 LEU CD1 C 25.974 0.300 2 874 79 79 LEU CD2 C 23.139 0.300 2 875 79 79 LEU CG C 27.300 0.300 1 876 79 79 LEU N N 125.059 0.300 1 877 80 80 THR H H 9.054 0.030 1 878 80 80 THR HA H 5.306 0.030 1 879 80 80 THR HB H 4.332 0.030 1 880 80 80 THR HG2 H 1.053 0.030 1 881 80 80 THR C C 174.846 0.300 1 882 80 80 THR CA C 56.246 0.300 1 883 80 80 THR CB C 70.877 0.300 1 884 80 80 THR CG2 C 20.453 0.300 1 885 80 80 THR N N 110.144 0.300 1 886 81 81 PRO HA H 4.401 0.030 1 887 81 81 PRO HB2 H 2.404 0.030 2 888 81 81 PRO HB3 H 1.984 0.030 2 889 81 81 PRO HD2 H 3.492 0.030 2 890 81 81 PRO HD3 H 3.785 0.030 2 891 81 81 PRO HG2 H 1.981 0.030 2 892 81 81 PRO HG3 H 2.062 0.030 2 893 81 81 PRO C C 176.905 0.300 1 894 81 81 PRO CA C 64.535 0.300 1 895 81 81 PRO CB C 32.108 0.300 1 896 81 81 PRO CD C 50.716 0.300 1 897 81 81 PRO CG C 27.371 0.300 1 898 82 82 ASP H H 8.726 0.030 1 899 82 82 ASP HA H 4.797 0.030 1 900 82 82 ASP HB2 H 2.809 0.030 2 901 82 82 ASP HB3 H 2.571 0.030 2 902 82 82 ASP C C 175.789 0.300 1 903 82 82 ASP CA C 54.241 0.300 1 904 82 82 ASP CB C 41.106 0.300 1 905 82 82 ASP N N 116.479 0.300 1 906 83 83 LEU H H 7.757 0.030 1 907 83 83 LEU HA H 4.829 0.030 1 908 83 83 LEU HB2 H 1.668 0.030 1 909 83 83 LEU HB3 H 1.668 0.030 1 910 83 83 LEU HD1 H 0.961 0.030 1 911 83 83 LEU HD2 H 0.992 0.030 1 912 83 83 LEU HG H 1.640 0.030 1 913 83 83 LEU C C 174.093 0.300 1 914 83 83 LEU CA C 52.280 0.300 1 915 83 83 LEU CB C 42.124 0.300 1 916 83 83 LEU CD1 C 23.801 0.300 2 917 83 83 LEU CD2 C 25.423 0.300 2 918 83 83 LEU CG C 27.258 0.300 1 919 83 83 LEU N N 122.004 0.300 1 920 84 84 PRO HA H 4.870 0.030 1 921 84 84 PRO HB2 H 1.937 0.030 2 922 84 84 PRO HD2 H 3.690 0.030 2 923 84 84 PRO HD3 H 3.830 0.030 2 924 84 84 PRO HG2 H 2.040 0.030 1 925 84 84 PRO HG3 H 2.040 0.030 1 926 84 84 PRO CD C 50.700 0.300 1 927 84 84 PRO CG C 27.293 0.300 1 928 91 91 HIS HA H 4.630 0.030 1 929 91 91 HIS HB2 H 3.075 0.030 2 930 91 91 HIS HB3 H 3.175 0.030 2 931 91 91 HIS C C 175.161 0.300 1 932 91 91 HIS CA C 56.283 0.300 1 933 91 91 HIS CB C 30.692 0.300 1 934 92 92 ALA H H 8.268 0.030 1 935 92 92 ALA HA H 4.306 0.030 1 936 92 92 ALA HB H 1.377 0.030 1 937 92 92 ALA C C 178.206 0.300 1 938 92 92 ALA CA C 52.950 0.300 1 939 92 92 ALA CB C 19.191 0.300 1 940 92 92 ALA N N 125.294 0.300 1 941 93 93 GLY H H 8.383 0.030 1 942 93 93 GLY HA2 H 3.941 0.030 1 943 93 93 GLY HA3 H 3.941 0.030 1 944 93 93 GLY C C 173.986 0.300 1 945 93 93 GLY CA C 45.257 0.300 1 946 93 93 GLY N N 108.490 0.300 1 947 94 94 ALA H H 8.083 0.030 1 948 94 94 ALA HA H 4.314 0.030 1 949 94 94 ALA HB H 1.372 0.030 1 950 94 94 ALA C C 177.929 0.300 1 951 94 94 ALA CA C 52.570 0.300 1 952 94 94 ALA CB C 19.271 0.300 1 953 94 94 ALA N N 123.621 0.300 1 954 95 95 LEU H H 8.252 0.030 1 955 95 95 LEU HA H 4.334 0.030 1 956 95 95 LEU HB2 H 1.665 0.030 1 957 95 95 LEU HB3 H 1.665 0.030 1 958 95 95 LEU HD1 H 0.931 0.030 1 959 95 95 LEU HD2 H 0.887 0.030 1 960 95 95 LEU HG H 1.587 0.030 1 961 95 95 LEU C C 177.509 0.300 1 962 95 95 LEU CA C 55.352 0.300 1 963 95 95 LEU CB C 42.237 0.300 1 964 95 95 LEU CD1 C 24.905 0.300 2 965 95 95 LEU CD2 C 24.000 0.300 2 966 95 95 LEU CG C 27.043 0.300 1 967 95 95 LEU N N 121.266 0.300 1 968 96 96 GLN H H 8.342 0.030 1 969 96 96 GLN HA H 4.315 0.030 1 970 96 96 GLN HB2 H 2.079 0.030 1 971 96 96 GLN HB3 H 2.079 0.030 1 972 96 96 GLN HG2 H 2.358 0.030 1 973 96 96 GLN HG3 H 2.358 0.030 1 974 96 96 GLN C C 175.983 0.300 1 975 96 96 GLN CA C 55.977 0.300 1 976 96 96 GLN CB C 29.428 0.300 1 977 96 96 GLN CG C 33.823 0.300 1 978 96 96 GLN N N 121.198 0.300 1 979 97 97 GLU H H 8.439 0.030 1 980 97 97 GLU HA H 4.286 0.030 1 981 97 97 GLU HB2 H 2.060 0.030 1 982 97 97 GLU HB3 H 2.060 0.030 1 983 97 97 GLU HG2 H 2.250 0.030 1 984 97 97 GLU HG3 H 2.250 0.030 1 985 97 97 GLU C C 176.437 0.300 1 986 97 97 GLU CA C 56.817 0.300 1 987 97 97 GLU CB C 30.458 0.300 1 988 97 97 GLU CG C 36.580 0.300 1 989 97 97 GLU N N 122.256 0.300 1 990 98 98 SER H H 8.355 0.030 1 991 98 98 SER HA H 4.468 0.030 1 992 98 98 SER HB2 H 3.858 0.030 1 993 98 98 SER HB3 H 3.858 0.030 1 994 98 98 SER C C 174.322 0.300 1 995 98 98 SER CA C 58.259 0.300 1 996 98 98 SER CB C 63.909 0.300 1 997 98 98 SER N N 116.690 0.300 1 998 99 99 LEU H H 8.329 0.030 1 999 99 99 LEU HA H 4.419 0.030 1 1000 99 99 LEU HB2 H 1.665 0.030 1 1001 99 99 LEU HB3 H 1.665 0.030 1 1002 99 99 LEU HD1 H 0.933 0.030 1 1003 99 99 LEU HD2 H 0.874 0.030 1 1004 99 99 LEU HG H 1.649 0.030 1 1005 99 99 LEU C C 176.365 0.300 1 1006 99 99 LEU CA C 55.276 0.300 1 1007 99 99 LEU CB C 42.474 0.300 1 1008 99 99 LEU CD1 C 25.234 0.300 2 1009 99 99 LEU CD2 C 23.178 0.300 2 1010 99 99 LEU CG C 27.289 0.300 1 1011 99 99 LEU N N 124.692 0.300 1 1012 100 100 ASN H H 7.945 0.030 1 1013 100 100 ASN C C 179.502 0.300 1 1014 100 100 ASN CA C 54.758 0.300 1 1015 100 100 ASN CB C 40.607 0.300 1 1016 100 100 ASN N N 124.114 0.300 1 stop_ save_