data_11254 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Solution Structure of a N-terminal Ubiquitin-like Domain in Mouse Tubulin-specific Chaperone B ; _BMRB_accession_number 11254 _BMRB_flat_file_name bmr11254.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 Kigawa T. . . 3 Saito K. . . 4 Koshiba S. . . 5 Inoue M. . . 6 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" 524 "13C chemical shifts" 402 "15N chemical shifts" 96 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2011-08-17 original author . stop_ _Original_release_date 2011-08-17 save_ ############################# # Citation for this entry # ############################# save_citation_1 _Saveframe_category entry_citation _Citation_full . _Citation_title ; Solution Structure of a N-terminal Ubiquitin-like Domain in Mouse Tubulin-specific Chaperone B ; _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 Kigawa T. . . 3 Saito K. . . 4 Koshiba S. . . 5 Inoue M. . . 6 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 'cytoskeleton-associated protein 1' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label 'Ubiquitin-like domain' $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' _Molecular_mass . _Mol_thiol_state 'all free' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 95 _Mol_residue_sequence ; GSSGSSGVMVFISSSLNSFR SEKRYSRSLTIAEFKCKLEL VVGSPASCMELELYGADDKF YSKLDQEDALLGSYPVDDGC RIHVIDHSGSGPSSG ; loop_ _Residue_seq_code _Residue_label 1 GLY 2 SER 3 SER 4 GLY 5 SER 6 SER 7 GLY 8 VAL 9 MET 10 VAL 11 PHE 12 ILE 13 SER 14 SER 15 SER 16 LEU 17 ASN 18 SER 19 PHE 20 ARG 21 SER 22 GLU 23 LYS 24 ARG 25 TYR 26 SER 27 ARG 28 SER 29 LEU 30 THR 31 ILE 32 ALA 33 GLU 34 PHE 35 LYS 36 CYS 37 LYS 38 LEU 39 GLU 40 LEU 41 VAL 42 VAL 43 GLY 44 SER 45 PRO 46 ALA 47 SER 48 CYS 49 MET 50 GLU 51 LEU 52 GLU 53 LEU 54 TYR 55 GLY 56 ALA 57 ASP 58 ASP 59 LYS 60 PHE 61 TYR 62 SER 63 LYS 64 LEU 65 ASP 66 GLN 67 GLU 68 ASP 69 ALA 70 LEU 71 LEU 72 GLY 73 SER 74 TYR 75 PRO 76 VAL 77 ASP 78 ASP 79 GLY 80 CYS 81 ARG 82 ILE 83 HIS 84 VAL 85 ILE 86 ASP 87 HIS 88 SER 89 GLY 90 SER 91 GLY 92 PRO 93 SER 94 SER 95 GLY stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2015-08-20 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 1V6E "Solution Structure Of A N-Terminal Ubiquitin-Like Domain In Mouse Tubulin-Specific Chaperone B" 100.00 95 100.00 100.00 1.12e-59 DBJ BAB22009 "unnamed protein product [Mus musculus]" 86.32 244 100.00 100.00 5.22e-50 DBJ BAB22918 "unnamed protein product [Mus musculus]" 86.32 244 100.00 100.00 5.22e-50 DBJ BAB26939 "unnamed protein product [Mus musculus]" 86.32 244 98.78 98.78 7.17e-49 GB AAH10684 "Tubulin folding cofactor B [Mus musculus]" 86.32 244 100.00 100.00 5.22e-50 GB EDL24039 "cytoskeleton-associated protein 1, isoform CRA_a [Mus musculus]" 86.32 244 100.00 100.00 5.22e-50 GB EDL24040 "cytoskeleton-associated protein 1, isoform CRA_b [Mus musculus]" 86.32 244 100.00 100.00 5.22e-50 GB ELK17774 "Tubulin-folding cofactor B [Pteropus alecto]" 87.37 244 97.59 98.80 2.12e-49 REF NP_079824 "tubulin-folding cofactor B [Mus musculus]" 86.32 244 100.00 100.00 5.22e-50 REF XP_005361319 "PREDICTED: tubulin-folding cofactor B isoform X1 [Microtus ochrogaster]" 86.32 244 97.56 98.78 7.99e-49 REF XP_006906006 "PREDICTED: tubulin-folding cofactor B isoform X1 [Pteropus alecto]" 87.37 244 97.59 98.80 2.12e-49 REF XP_007096876 "PREDICTED: tubulin-folding cofactor B [Panthera tigris altaica]" 87.37 244 97.59 98.80 2.05e-49 REF XP_011380142 "PREDICTED: tubulin-folding cofactor B isoform X1 [Pteropus vampyrus]" 87.37 244 97.59 98.80 2.12e-49 SP Q9D1E6 "RecName: Full=Tubulin-folding cofactor B; AltName: Full=Cytoskeleton-associated protein 1; AltName: Full=Cytoskeleton-associate" 86.32 244 100.00 100.00 5.22e-50 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 'house mouse' 10090 Eukaryota Metazoa Mus musculus 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 P030414-64 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Saveframe_category sample _Sample_type solution _Details ; 1.15mM Protein U-15N, {13C;} 20mM Phosphate Na {(pH6.0);} 100mM {NaCl;} 1mM {d-DTT;} 0.02% {NaN3;} 90% H2O, 10% D2O ; loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $entity_1 1.15 mM '[U-13C; U-15N]' 'Phosphate Na' 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 20020425 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 0.860 loop_ _Vendor _Address _Electronic_address 'Kobayashi, N.' . . stop_ loop_ _Task 'data analysis' stop_ _Details . save_ save_CYANA _Saveframe_category software _Name CYANA _Version 1.0.7 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 6.0 0.05 pH pressure 1 0.001 atm temperature 298.0 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' _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 2 2 SER HA H 4.581 0.030 1 2 2 2 SER HB2 H 3.906 0.030 1 3 2 2 SER HB3 H 3.906 0.030 1 4 2 2 SER C C 174.838 0.300 1 5 2 2 SER CA C 58.368 0.300 1 6 2 2 SER CB C 64.043 0.300 1 7 3 3 SER H H 8.588 0.030 1 8 3 3 SER HA H 4.506 0.030 1 9 3 3 SER HB2 H 3.918 0.030 1 10 3 3 SER HB3 H 3.918 0.030 1 11 3 3 SER C C 175.188 0.300 1 12 3 3 SER CA C 58.697 0.300 1 13 3 3 SER CB C 63.878 0.300 1 14 3 3 SER N N 118.209 0.300 1 15 4 4 GLY H H 8.505 0.030 1 16 4 4 GLY HA2 H 4.018 0.030 1 17 4 4 GLY HA3 H 4.018 0.030 1 18 4 4 GLY C C 174.426 0.300 1 19 4 4 GLY CA C 45.515 0.300 1 20 4 4 GLY N N 111.007 0.300 1 21 5 5 SER H H 8.126 0.030 1 22 5 5 SER HA H 4.531 0.030 1 23 5 5 SER HB2 H 3.918 0.030 1 24 5 5 SER HB3 H 3.918 0.030 1 25 5 5 SER C C 174.721 0.300 1 26 5 5 SER CA C 58.438 0.300 1 27 5 5 SER CB C 64.005 0.300 1 28 5 5 SER N N 115.543 0.300 1 29 6 6 SER H H 8.423 0.030 1 30 6 6 SER HA H 4.519 0.030 1 31 6 6 SER HB2 H 3.956 0.030 1 32 6 6 SER HB3 H 3.956 0.030 1 33 6 6 SER C C 174.690 0.300 1 34 6 6 SER CA C 58.798 0.300 1 35 6 6 SER CB C 63.824 0.300 1 36 6 6 SER N N 117.888 0.300 1 37 7 7 GLY H H 8.235 0.030 1 38 7 7 GLY HA2 H 3.743 0.030 2 39 7 7 GLY HA3 H 4.531 0.030 2 40 7 7 GLY C C 172.441 0.300 1 41 7 7 GLY CA C 44.771 0.300 1 42 7 7 GLY N N 110.465 0.300 1 43 8 8 VAL H H 9.047 0.030 1 44 8 8 VAL HA H 4.631 0.030 1 45 8 8 VAL HB H 1.738 0.030 1 46 8 8 VAL HG1 H 0.846 0.030 1 47 8 8 VAL HG2 H 0.804 0.030 1 48 8 8 VAL C C 172.397 0.300 1 49 8 8 VAL CA C 59.430 0.300 1 50 8 8 VAL CB C 35.053 0.300 1 51 8 8 VAL CG1 C 21.026 0.300 2 52 8 8 VAL CG2 C 19.052 0.300 2 53 8 8 VAL N N 119.804 0.300 1 54 9 9 MET H H 8.845 0.030 1 55 9 9 MET HA H 4.806 0.030 1 56 9 9 MET HB2 H 2.018 0.030 2 57 9 9 MET HB3 H 1.692 0.030 2 58 9 9 MET HE H 1.769 0.030 1 59 9 9 MET HG2 H 2.255 0.030 1 60 9 9 MET HG3 H 2.255 0.030 1 61 9 9 MET C C 174.873 0.300 1 62 9 9 MET CA C 54.621 0.300 1 63 9 9 MET CB C 32.612 0.300 1 64 9 9 MET CE C 17.274 0.300 1 65 9 9 MET CG C 32.377 0.300 1 66 9 9 MET N N 128.832 0.300 1 67 10 10 VAL H H 8.897 0.030 1 68 10 10 VAL HA H 5.067 0.030 1 69 10 10 VAL HB H 2.243 0.030 1 70 10 10 VAL HG1 H 0.820 0.030 1 71 10 10 VAL HG2 H 1.023 0.030 1 72 10 10 VAL C C 174.893 0.300 1 73 10 10 VAL CA C 58.439 0.300 1 74 10 10 VAL CB C 35.393 0.300 1 75 10 10 VAL CG1 C 23.000 0.300 2 76 10 10 VAL CG2 C 19.149 0.300 2 77 10 10 VAL N N 120.257 0.300 1 78 11 11 PHE H H 8.947 0.030 1 79 11 11 PHE HA H 5.319 0.030 1 80 11 11 PHE HB2 H 2.743 0.030 1 81 11 11 PHE HB3 H 2.743 0.030 1 82 11 11 PHE HD1 H 7.090 0.030 1 83 11 11 PHE HD2 H 7.090 0.030 1 84 11 11 PHE HE1 H 7.377 0.030 1 85 11 11 PHE HE2 H 7.377 0.030 1 86 11 11 PHE C C 175.402 0.300 1 87 11 11 PHE CA C 57.326 0.300 1 88 11 11 PHE CB C 41.281 0.300 1 89 11 11 PHE CD1 C 131.536 0.300 1 90 11 11 PHE CD2 C 131.536 0.300 1 91 11 11 PHE CE1 C 131.532 0.300 1 92 11 11 PHE CE2 C 131.532 0.300 1 93 11 11 PHE N N 118.254 0.300 1 94 12 12 ILE H H 9.277 0.030 1 95 12 12 ILE HA H 5.480 0.030 1 96 12 12 ILE HB H 1.980 0.030 1 97 12 12 ILE HD1 H 0.978 0.030 1 98 12 12 ILE HG12 H 1.490 0.030 2 99 12 12 ILE HG13 H 1.596 0.030 2 100 12 12 ILE HG2 H 0.890 0.030 1 101 12 12 ILE C C 176.153 0.300 1 102 12 12 ILE CA C 58.518 0.300 1 103 12 12 ILE CB C 38.773 0.300 1 104 12 12 ILE CD1 C 12.966 0.300 1 105 12 12 ILE CG1 C 26.956 0.300 1 106 12 12 ILE CG2 C 18.620 0.300 1 107 12 12 ILE N N 122.365 0.300 1 108 13 13 SER H H 9.464 0.030 1 109 13 13 SER HA H 5.142 0.030 1 110 13 13 SER HB2 H 4.668 0.030 2 111 13 13 SER HB3 H 3.468 0.030 2 112 13 13 SER C C 172.868 0.300 1 113 13 13 SER CA C 56.737 0.300 1 114 13 13 SER CB C 67.313 0.300 1 115 13 13 SER N N 123.523 0.300 1 116 14 14 SER H H 9.756 0.030 1 117 14 14 SER HA H 5.277 0.030 1 118 14 14 SER HB2 H 3.962 0.030 2 119 14 14 SER HB3 H 3.688 0.030 2 120 14 14 SER C C 174.998 0.300 1 121 14 14 SER CA C 56.967 0.300 1 122 14 14 SER CB C 67.454 0.300 1 123 14 14 SER N N 113.862 0.300 1 124 15 15 SER H H 8.437 0.030 1 125 15 15 SER HA H 4.405 0.030 1 126 15 15 SER HB2 H 4.340 0.030 2 127 15 15 SER HB3 H 3.741 0.030 2 128 15 15 SER C C 175.214 0.300 1 129 15 15 SER CA C 59.854 0.300 1 130 15 15 SER CB C 63.687 0.300 1 131 15 15 SER N N 116.173 0.300 1 132 16 16 LEU H H 8.352 0.030 1 133 16 16 LEU HA H 4.256 0.030 1 134 16 16 LEU HB2 H 1.738 0.030 2 135 16 16 LEU HB3 H 1.584 0.030 2 136 16 16 LEU HD1 H 0.876 0.030 1 137 16 16 LEU HD2 H 0.867 0.030 1 138 16 16 LEU HG H 1.589 0.030 1 139 16 16 LEU C C 177.383 0.300 1 140 16 16 LEU CA C 56.500 0.300 1 141 16 16 LEU CB C 43.658 0.300 1 142 16 16 LEU CD1 C 25.221 0.300 2 143 16 16 LEU CD2 C 23.247 0.300 2 144 16 16 LEU CG C 27.289 0.300 1 145 16 16 LEU N N 121.373 0.300 1 146 17 17 ASN H H 7.575 0.030 1 147 17 17 ASN HA H 4.694 0.030 1 148 17 17 ASN HB2 H 3.085 0.030 2 149 17 17 ASN HB3 H 2.751 0.030 2 150 17 17 ASN HD21 H 7.705 0.030 2 151 17 17 ASN HD22 H 7.059 0.030 2 152 17 17 ASN C C 174.677 0.300 1 153 17 17 ASN CA C 52.741 0.300 1 154 17 17 ASN CB C 39.081 0.300 1 155 17 17 ASN N N 111.937 0.300 1 156 17 17 ASN ND2 N 115.875 0.300 1 157 18 18 SER H H 8.343 0.030 1 158 18 18 SER HA H 4.669 0.030 1 159 18 18 SER HB2 H 3.911 0.030 2 160 18 18 SER HB3 H 3.951 0.030 2 161 18 18 SER C C 174.678 0.300 1 162 18 18 SER CA C 58.281 0.300 1 163 18 18 SER CB C 63.733 0.300 1 164 18 18 SER N N 111.964 0.300 1 165 19 19 PHE H H 8.199 0.030 1 166 19 19 PHE HA H 4.644 0.030 1 167 19 19 PHE HB2 H 3.060 0.030 2 168 19 19 PHE HB3 H 3.159 0.030 2 169 19 19 PHE HD1 H 7.231 0.030 1 170 19 19 PHE HD2 H 7.231 0.030 1 171 19 19 PHE HE1 H 7.320 0.030 1 172 19 19 PHE HE2 H 7.320 0.030 1 173 19 19 PHE C C 176.073 0.300 1 174 19 19 PHE CA C 58.002 0.300 1 175 19 19 PHE CB C 39.443 0.300 1 176 19 19 PHE CD1 C 131.536 0.300 1 177 19 19 PHE CD2 C 131.536 0.300 1 178 19 19 PHE CE1 C 129.855 0.300 1 179 19 19 PHE CE2 C 129.855 0.300 1 180 19 19 PHE N N 123.381 0.300 1 181 20 20 ARG H H 8.420 0.030 1 182 20 20 ARG HA H 5.355 0.030 1 183 20 20 ARG HB2 H 1.664 0.030 2 184 20 20 ARG HB3 H 1.771 0.030 2 185 20 20 ARG HD2 H 2.855 0.030 2 186 20 20 ARG HD3 H 3.017 0.030 2 187 20 20 ARG HE H 7.307 0.030 1 188 20 20 ARG HG2 H 1.710 0.030 2 189 20 20 ARG HG3 H 1.509 0.030 2 190 20 20 ARG C C 175.427 0.300 1 191 20 20 ARG CA C 54.977 0.300 1 192 20 20 ARG CB C 33.960 0.300 1 193 20 20 ARG CD C 44.101 0.300 1 194 20 20 ARG CG C 27.676 0.300 1 195 20 20 ARG N N 123.595 0.300 1 196 20 20 ARG NE N 83.853 0.300 1 197 21 21 SER H H 8.333 0.030 1 198 21 21 SER HA H 4.844 0.030 1 199 21 21 SER HB2 H 3.766 0.030 2 200 21 21 SER HB3 H 3.685 0.030 2 201 21 21 SER C C 172.431 0.300 1 202 21 21 SER CA C 57.381 0.300 1 203 21 21 SER CB C 65.772 0.300 1 204 21 21 SER N N 116.927 0.300 1 205 22 22 GLU H H 8.648 0.030 1 206 22 22 GLU HA H 4.931 0.030 1 207 22 22 GLU HB2 H 1.843 0.030 2 208 22 22 GLU HB3 H 1.642 0.030 2 209 22 22 GLU HG2 H 1.557 0.030 2 210 22 22 GLU HG3 H 1.722 0.030 2 211 22 22 GLU C C 175.724 0.300 1 212 22 22 GLU CA C 55.502 0.300 1 213 22 22 GLU CB C 31.503 0.300 1 214 22 22 GLU CG C 35.750 0.300 1 215 22 22 GLU N N 125.558 0.300 1 216 23 23 LYS H H 9.015 0.030 1 217 23 23 LYS HA H 4.456 0.030 1 218 23 23 LYS HB2 H 1.630 0.030 2 219 23 23 LYS HB3 H 1.442 0.030 2 220 23 23 LYS HD2 H 1.638 0.030 2 221 23 23 LYS HD3 H 1.779 0.030 2 222 23 23 LYS HE2 H 2.933 0.030 2 223 23 23 LYS HE3 H 2.898 0.030 2 224 23 23 LYS HG2 H 1.203 0.030 2 225 23 23 LYS HG3 H 1.438 0.030 2 226 23 23 LYS C C 173.284 0.300 1 227 23 23 LYS CA C 54.249 0.300 1 228 23 23 LYS CB C 38.854 0.300 1 229 23 23 LYS CD C 28.264 0.300 1 230 23 23 LYS CE C 42.247 0.300 1 231 23 23 LYS CG C 24.512 0.300 1 232 23 23 LYS N N 126.928 0.300 1 233 24 24 ARG H H 7.681 0.030 1 234 24 24 ARG HA H 5.269 0.030 1 235 24 24 ARG HB2 H 1.425 0.030 2 236 24 24 ARG HB3 H 1.523 0.030 2 237 24 24 ARG HD2 H 2.991 0.030 2 238 24 24 ARG HD3 H 3.053 0.030 2 239 24 24 ARG HE H 7.257 0.030 1 240 24 24 ARG HG2 H 1.276 0.030 2 241 24 24 ARG HG3 H 1.150 0.030 2 242 24 24 ARG C C 175.925 0.300 1 243 24 24 ARG CA C 54.601 0.300 1 244 24 24 ARG CB C 32.192 0.300 1 245 24 24 ARG CD C 43.151 0.300 1 246 24 24 ARG CG C 28.017 0.300 1 247 24 24 ARG N N 119.977 0.300 1 248 24 24 ARG NE N 84.276 0.300 1 249 25 25 TYR H H 8.556 0.030 1 250 25 25 TYR HA H 4.744 0.030 1 251 25 25 TYR HB2 H 2.880 0.030 2 252 25 25 TYR HB3 H 2.030 0.030 2 253 25 25 TYR HD1 H 7.046 0.030 1 254 25 25 TYR HD2 H 7.046 0.030 1 255 25 25 TYR HE1 H 6.662 0.030 1 256 25 25 TYR HE2 H 6.662 0.030 1 257 25 25 TYR C C 174.552 0.300 1 258 25 25 TYR CA C 57.401 0.300 1 259 25 25 TYR CB C 43.431 0.300 1 260 25 25 TYR CD1 C 132.855 0.300 1 261 25 25 TYR CD2 C 132.855 0.300 1 262 25 25 TYR CE1 C 118.188 0.300 1 263 25 25 TYR CE2 C 118.188 0.300 1 264 25 25 TYR N N 121.940 0.300 1 265 26 26 SER H H 8.573 0.030 1 266 26 26 SER HA H 4.469 0.030 1 267 26 26 SER HB2 H 4.043 0.030 2 268 26 26 SER HB3 H 3.788 0.030 2 269 26 26 SER C C 175.710 0.300 1 270 26 26 SER CA C 57.925 0.300 1 271 26 26 SER CB C 63.960 0.300 1 272 26 26 SER N N 114.504 0.300 1 273 27 27 ARG H H 8.670 0.030 1 274 27 27 ARG HA H 3.775 0.030 1 275 27 27 ARG HB2 H 1.718 0.030 2 276 27 27 ARG HB3 H 1.881 0.030 2 277 27 27 ARG HD2 H 3.258 0.030 1 278 27 27 ARG HD3 H 3.258 0.030 1 279 27 27 ARG HE H 7.302 0.030 1 280 27 27 ARG HG2 H 1.192 0.030 1 281 27 27 ARG HG3 H 1.192 0.030 1 282 27 27 ARG C C 176.758 0.300 1 283 27 27 ARG CA C 59.107 0.300 1 284 27 27 ARG CB C 30.817 0.300 1 285 27 27 ARG CD C 43.151 0.300 1 286 27 27 ARG CG C 30.814 0.300 1 287 27 27 ARG N N 123.690 0.300 1 288 27 27 ARG NE N 84.640 0.300 1 289 28 28 SER H H 8.369 0.030 1 290 28 28 SER HA H 4.444 0.030 1 291 28 28 SER HB2 H 3.944 0.030 1 292 28 28 SER HB3 H 3.944 0.030 1 293 28 28 SER C C 173.752 0.300 1 294 28 28 SER CA C 58.771 0.300 1 295 28 28 SER CB C 63.392 0.300 1 296 28 28 SER N N 112.651 0.300 1 297 29 29 LEU H H 6.852 0.030 1 298 29 29 LEU HA H 4.419 0.030 1 299 29 29 LEU HB2 H 1.580 0.030 1 300 29 29 LEU HB3 H 1.580 0.030 1 301 29 29 LEU HD1 H 1.130 0.030 1 302 29 29 LEU HD2 H 0.957 0.030 1 303 29 29 LEU HG H 2.022 0.030 1 304 29 29 LEU C C 177.722 0.300 1 305 29 29 LEU CA C 55.237 0.300 1 306 29 29 LEU CB C 43.961 0.300 1 307 29 29 LEU CD1 C 27.291 0.300 2 308 29 29 LEU CD2 C 23.675 0.300 2 309 29 29 LEU CG C 27.171 0.300 1 310 29 29 LEU N N 121.294 0.300 1 311 30 30 THR H H 8.572 0.030 1 312 30 30 THR HA H 5.156 0.030 1 313 30 30 THR HB H 4.806 0.030 1 314 30 30 THR HG2 H 1.306 0.030 1 315 30 30 THR C C 176.538 0.300 1 316 30 30 THR CA C 60.964 0.300 1 317 30 30 THR CB C 71.301 0.300 1 318 30 30 THR CG2 C 22.296 0.300 1 319 30 30 THR N N 112.429 0.300 1 320 31 31 ILE H H 8.525 0.030 1 321 31 31 ILE HA H 3.956 0.030 1 322 31 31 ILE HB H 2.668 0.030 1 323 31 31 ILE HD1 H 0.706 0.030 1 324 31 31 ILE HG12 H 2.041 0.030 2 325 31 31 ILE HG13 H 1.367 0.030 2 326 31 31 ILE HG2 H 0.867 0.030 1 327 31 31 ILE C C 178.580 0.300 1 328 31 31 ILE CA C 62.559 0.300 1 329 31 31 ILE CB C 33.869 0.300 1 330 31 31 ILE CD1 C 9.264 0.300 1 331 31 31 ILE CG1 C 28.100 0.300 1 332 31 31 ILE CG2 C 18.147 0.300 1 333 31 31 ILE N N 122.471 0.300 1 334 32 32 ALA H H 8.939 0.030 1 335 32 32 ALA HA H 4.118 0.030 1 336 32 32 ALA HB H 1.520 0.030 1 337 32 32 ALA C C 181.135 0.300 1 338 32 32 ALA CA C 56.250 0.300 1 339 32 32 ALA CB C 18.961 0.300 1 340 32 32 ALA N N 122.127 0.300 1 341 33 33 GLU H H 7.925 0.030 1 342 33 33 GLU HA H 4.056 0.030 1 343 33 33 GLU HB2 H 2.048 0.030 2 344 33 33 GLU HB3 H 2.410 0.030 2 345 33 33 GLU HG2 H 2.335 0.030 2 346 33 33 GLU HG3 H 2.438 0.030 2 347 33 33 GLU C C 179.974 0.300 1 348 33 33 GLU CA C 59.027 0.300 1 349 33 33 GLU CB C 30.962 0.300 1 350 33 33 GLU CG C 37.287 0.300 1 351 33 33 GLU N N 118.446 0.300 1 352 34 34 PHE H H 9.312 0.030 1 353 34 34 PHE HA H 4.445 0.030 1 354 34 34 PHE HB2 H 3.531 0.030 2 355 34 34 PHE HB3 H 3.168 0.030 2 356 34 34 PHE HD1 H 6.720 0.030 1 357 34 34 PHE HD2 H 6.720 0.030 1 358 34 34 PHE HE1 H 6.236 0.030 1 359 34 34 PHE HE2 H 6.236 0.030 1 360 34 34 PHE HZ H 6.677 0.030 1 361 34 34 PHE C C 177.478 0.300 1 362 34 34 PHE CA C 58.223 0.300 1 363 34 34 PHE CB C 38.990 0.300 1 364 34 34 PHE CD1 C 130.146 0.300 1 365 34 34 PHE CD2 C 130.146 0.300 1 366 34 34 PHE CE1 C 131.171 0.300 1 367 34 34 PHE CE2 C 131.171 0.300 1 368 34 34 PHE CZ C 128.141 0.300 1 369 34 34 PHE N N 122.571 0.300 1 370 35 35 LYS H H 8.829 0.030 1 371 35 35 LYS HA H 3.656 0.030 1 372 35 35 LYS HB2 H 2.080 0.030 1 373 35 35 LYS HB3 H 2.080 0.030 1 374 35 35 LYS HD2 H 1.818 0.030 2 375 35 35 LYS HD3 H 1.881 0.030 2 376 35 35 LYS HE2 H 2.757 0.030 2 377 35 35 LYS HE3 H 2.656 0.030 2 378 35 35 LYS HG2 H 1.117 0.030 2 379 35 35 LYS HG3 H 1.854 0.030 2 380 35 35 LYS C C 178.134 0.300 1 381 35 35 LYS CA C 61.061 0.300 1 382 35 35 LYS CB C 33.053 0.300 1 383 35 35 LYS CD C 30.320 0.300 1 384 35 35 LYS CE C 42.740 0.300 1 385 35 35 LYS CG C 27.935 0.300 1 386 35 35 LYS N N 118.477 0.300 1 387 36 36 CYS H H 7.231 0.030 1 388 36 36 CYS HA H 4.093 0.030 1 389 36 36 CYS HB2 H 3.052 0.030 2 390 36 36 CYS HB3 H 3.176 0.030 2 391 36 36 CYS C C 178.268 0.300 1 392 36 36 CYS CA C 63.679 0.300 1 393 36 36 CYS CB C 26.307 0.300 1 394 36 36 CYS N N 114.654 0.300 1 395 37 37 LYS H H 7.855 0.030 1 396 37 37 LYS HA H 4.244 0.030 1 397 37 37 LYS HB2 H 2.160 0.030 2 398 37 37 LYS HB3 H 2.249 0.030 2 399 37 37 LYS HD2 H 1.928 0.030 2 400 37 37 LYS HD3 H 1.890 0.030 2 401 37 37 LYS HE2 H 3.293 0.030 2 402 37 37 LYS HE3 H 3.106 0.030 2 403 37 37 LYS HG2 H 1.815 0.030 1 404 37 37 LYS HG3 H 1.815 0.030 1 405 37 37 LYS C C 180.471 0.300 1 406 37 37 LYS CA C 58.953 0.300 1 407 37 37 LYS CB C 32.160 0.300 1 408 37 37 LYS CD C 28.922 0.300 1 409 37 37 LYS CE C 42.576 0.300 1 410 37 37 LYS CG C 25.468 0.300 1 411 37 37 LYS N N 118.859 0.300 1 412 38 38 LEU H H 8.512 0.030 1 413 38 38 LEU HA H 3.963 0.030 1 414 38 38 LEU HB2 H 0.955 0.030 2 415 38 38 LEU HB3 H 1.733 0.030 2 416 38 38 LEU HD1 H -0.144 0.030 1 417 38 38 LEU HD2 H 0.471 0.030 1 418 38 38 LEU HG H 0.901 0.030 1 419 38 38 LEU C C 179.290 0.300 1 420 38 38 LEU CA C 56.997 0.300 1 421 38 38 LEU CB C 41.890 0.300 1 422 38 38 LEU CD1 C 25.710 0.300 2 423 38 38 LEU CD2 C 22.366 0.300 2 424 38 38 LEU CG C 25.797 0.300 1 425 38 38 LEU N N 120.704 0.300 1 426 39 39 GLU H H 7.991 0.030 1 427 39 39 GLU HA H 4.099 0.030 1 428 39 39 GLU HB2 H 2.037 0.030 2 429 39 39 GLU HB3 H 2.293 0.030 2 430 39 39 GLU HG2 H 2.295 0.030 2 431 39 39 GLU HG3 H 2.608 0.030 2 432 39 39 GLU C C 179.134 0.300 1 433 39 39 GLU CA C 59.823 0.300 1 434 39 39 GLU CB C 29.790 0.300 1 435 39 39 GLU CG C 35.996 0.300 1 436 39 39 GLU N N 122.877 0.300 1 437 40 40 LEU H H 7.156 0.030 1 438 40 40 LEU HA H 4.195 0.030 1 439 40 40 LEU HB2 H 1.913 0.030 2 440 40 40 LEU HB3 H 1.719 0.030 2 441 40 40 LEU HD1 H 1.050 0.030 1 442 40 40 LEU HD2 H 0.946 0.030 1 443 40 40 LEU HG H 1.858 0.030 1 444 40 40 LEU C C 177.814 0.300 1 445 40 40 LEU CA C 56.473 0.300 1 446 40 40 LEU CB C 41.981 0.300 1 447 40 40 LEU CD1 C 25.177 0.300 2 448 40 40 LEU CD2 C 22.933 0.300 2 449 40 40 LEU CG C 27.359 0.300 1 450 40 40 LEU N N 115.281 0.300 1 451 41 41 VAL H H 7.434 0.030 1 452 41 41 VAL HA H 4.006 0.030 1 453 41 41 VAL HB H 2.168 0.030 1 454 41 41 VAL HG1 H 1.005 0.030 1 455 41 41 VAL HG2 H 1.137 0.030 1 456 41 41 VAL C C 177.229 0.300 1 457 41 41 VAL CA C 64.410 0.300 1 458 41 41 VAL CB C 33.371 0.300 1 459 41 41 VAL CG1 C 21.384 0.300 2 460 41 41 VAL CG2 C 21.918 0.300 2 461 41 41 VAL N N 117.645 0.300 1 462 42 42 VAL H H 8.185 0.030 1 463 42 42 VAL HA H 4.306 0.030 1 464 42 42 VAL HB H 2.230 0.030 1 465 42 42 VAL HG1 H 0.892 0.030 1 466 42 42 VAL HG2 H 0.903 0.030 1 467 42 42 VAL C C 177.143 0.300 1 468 42 42 VAL CA C 61.884 0.300 1 469 42 42 VAL CB C 33.144 0.300 1 470 42 42 VAL CG1 C 22.260 0.300 2 471 42 42 VAL CG2 C 20.450 0.300 2 472 42 42 VAL N N 111.274 0.300 1 473 43 43 GLY H H 7.693 0.030 1 474 43 43 GLY HA2 H 3.861 0.030 2 475 43 43 GLY HA3 H 4.025 0.030 2 476 43 43 GLY C C 173.472 0.300 1 477 43 43 GLY CA C 46.513 0.300 1 478 43 43 GLY N N 108.206 0.300 1 479 44 44 SER H H 6.944 0.030 1 480 44 44 SER HA H 4.728 0.030 1 481 44 44 SER HB2 H 3.412 0.030 2 482 44 44 SER HB3 H 3.607 0.030 2 483 44 44 SER C C 170.418 0.300 1 484 44 44 SER CA C 56.286 0.300 1 485 44 44 SER CB C 64.040 0.300 1 486 44 44 SER N N 115.855 0.300 1 487 45 45 PRO HA H 4.306 0.030 1 488 45 45 PRO HB2 H 2.347 0.030 2 489 45 45 PRO HB3 H 1.898 0.030 2 490 45 45 PRO HD2 H 3.490 0.030 2 491 45 45 PRO HD3 H 3.787 0.030 2 492 45 45 PRO HG2 H 2.020 0.030 1 493 45 45 PRO HG3 H 2.020 0.030 1 494 45 45 PRO C C 179.686 0.300 1 495 45 45 PRO CA C 62.920 0.300 1 496 45 45 PRO CB C 32.157 0.300 1 497 45 45 PRO CD C 50.636 0.300 1 498 45 45 PRO CG C 28.100 0.300 1 499 46 46 ALA H H 9.911 0.030 1 500 46 46 ALA HA H 4.194 0.030 1 501 46 46 ALA HB H 1.445 0.030 1 502 46 46 ALA C C 179.868 0.300 1 503 46 46 ALA CA C 55.110 0.300 1 504 46 46 ALA CB C 19.079 0.300 1 505 46 46 ALA N N 130.526 0.300 1 506 47 47 SER H H 8.310 0.030 1 507 47 47 SER HA H 4.200 0.030 1 508 47 47 SER HB2 H 4.018 0.030 2 509 47 47 SER HB3 H 3.930 0.030 2 510 47 47 SER C C 175.470 0.300 1 511 47 47 SER CA C 60.120 0.300 1 512 47 47 SER CB C 62.782 0.300 1 513 47 47 SER N N 109.410 0.300 1 514 48 48 CYS H H 7.621 0.030 1 515 48 48 CYS HA H 4.844 0.030 1 516 48 48 CYS HB2 H 2.951 0.030 2 517 48 48 CYS HB3 H 2.668 0.030 2 518 48 48 CYS C C 173.077 0.300 1 519 48 48 CYS CA C 57.576 0.300 1 520 48 48 CYS CB C 29.383 0.300 1 521 48 48 CYS N N 117.369 0.300 1 522 49 49 MET H H 7.214 0.030 1 523 49 49 MET HA H 4.644 0.030 1 524 49 49 MET HB2 H 1.914 0.030 2 525 49 49 MET HB3 H 1.596 0.030 2 526 49 49 MET HE H 1.702 0.030 1 527 49 49 MET HG2 H 2.631 0.030 2 528 49 49 MET HG3 H 2.010 0.030 2 529 49 49 MET C C 175.979 0.300 1 530 49 49 MET CA C 56.955 0.300 1 531 49 49 MET CB C 35.591 0.300 1 532 49 49 MET CE C 17.033 0.300 1 533 49 49 MET CG C 32.706 0.300 1 534 49 49 MET N N 119.395 0.300 1 535 50 50 GLU H H 8.927 0.030 1 536 50 50 GLU HA H 4.644 0.030 1 537 50 50 GLU HB2 H 2.036 0.030 2 538 50 50 GLU HB3 H 2.210 0.030 2 539 50 50 GLU HG2 H 2.424 0.030 2 540 50 50 GLU HG3 H 2.046 0.030 2 541 50 50 GLU C C 174.020 0.300 1 542 50 50 GLU CA C 54.503 0.300 1 543 50 50 GLU CB C 32.827 0.300 1 544 50 50 GLU CG C 35.913 0.300 1 545 50 50 GLU N N 124.758 0.300 1 546 51 51 LEU H H 8.723 0.030 1 547 51 51 LEU HA H 5.424 0.030 1 548 51 51 LEU HB2 H 2.055 0.030 2 549 51 51 LEU HB3 H 1.105 0.030 2 550 51 51 LEU HD1 H 0.809 0.030 1 551 51 51 LEU HD2 H 0.718 0.030 1 552 51 51 LEU HG H 1.505 0.030 1 553 51 51 LEU C C 176.931 0.300 1 554 51 51 LEU CA C 53.270 0.300 1 555 51 51 LEU CB C 45.202 0.300 1 556 51 51 LEU CD1 C 26.503 0.300 2 557 51 51 LEU CD2 C 25.300 0.300 2 558 51 51 LEU CG C 27.291 0.300 1 559 51 51 LEU N N 123.571 0.300 1 560 52 52 GLU H H 9.248 0.030 1 561 52 52 GLU HA H 4.844 0.030 1 562 52 52 GLU HB2 H 2.603 0.030 2 563 52 52 GLU HB3 H 1.986 0.030 2 564 52 52 GLU HG2 H 2.479 0.030 2 565 52 52 GLU HG3 H 2.226 0.030 2 566 52 52 GLU C C 173.565 0.300 1 567 52 52 GLU CA C 54.924 0.300 1 568 52 52 GLU CB C 35.999 0.300 1 569 52 52 GLU CG C 37.641 0.300 1 570 52 52 GLU N N 120.527 0.300 1 571 53 53 LEU H H 8.702 0.030 1 572 53 53 LEU HA H 5.225 0.030 1 573 53 53 LEU HB2 H 1.751 0.030 2 574 53 53 LEU HB3 H 1.091 0.030 2 575 53 53 LEU HD1 H 0.970 0.030 1 576 53 53 LEU HD2 H 0.744 0.030 1 577 53 53 LEU HG H 1.355 0.030 1 578 53 53 LEU C C 173.564 0.300 1 579 53 53 LEU CA C 53.705 0.300 1 580 53 53 LEU CB C 44.977 0.300 1 581 53 53 LEU CD1 C 24.464 0.300 2 582 53 53 LEU CD2 C 26.818 0.300 2 583 53 53 LEU CG C 28.058 0.300 1 584 53 53 LEU N N 122.545 0.300 1 585 54 54 TYR H H 9.805 0.030 1 586 54 54 TYR HA H 4.856 0.030 1 587 54 54 TYR HB2 H 2.905 0.030 2 588 54 54 TYR HB3 H 2.743 0.030 2 589 54 54 TYR HD1 H 6.889 0.030 1 590 54 54 TYR HD2 H 6.889 0.030 1 591 54 54 TYR HE1 H 6.917 0.030 1 592 54 54 TYR HE2 H 6.917 0.030 1 593 54 54 TYR C C 176.059 0.300 1 594 54 54 TYR CA C 56.265 0.300 1 595 54 54 TYR CB C 42.524 0.300 1 596 54 54 TYR CD1 C 132.619 0.300 1 597 54 54 TYR CD2 C 132.619 0.300 1 598 54 54 TYR CE1 C 118.397 0.300 1 599 54 54 TYR CE2 C 118.397 0.300 1 600 54 54 TYR N N 126.773 0.300 1 601 55 55 GLY H H 8.723 0.030 1 602 55 55 GLY HA2 H 4.469 0.030 2 603 55 55 GLY HA3 H 3.781 0.030 2 604 55 55 GLY C C 175.683 0.300 1 605 55 55 GLY CA C 45.124 0.300 1 606 55 55 GLY N N 105.567 0.300 1 607 56 56 ALA H H 9.148 0.030 1 608 56 56 ALA HA H 4.265 0.030 1 609 56 56 ALA HB H 1.434 0.030 1 610 56 56 ALA C C 177.503 0.300 1 611 56 56 ALA CA C 54.562 0.300 1 612 56 56 ALA CB C 18.045 0.300 1 613 56 56 ALA N N 125.091 0.300 1 614 57 57 ASP H H 8.254 0.030 1 615 57 57 ASP HA H 4.433 0.030 1 616 57 57 ASP HB2 H 2.612 0.030 2 617 57 57 ASP HB3 H 3.040 0.030 2 618 57 57 ASP C C 176.164 0.300 1 619 57 57 ASP CA C 52.891 0.300 1 620 57 57 ASP CB C 39.828 0.300 1 621 57 57 ASP N N 115.355 0.300 1 622 58 58 ASP H H 8.294 0.030 1 623 58 58 ASP HA H 4.406 0.030 1 624 58 58 ASP HB2 H 2.943 0.030 2 625 58 58 ASP HB3 H 2.668 0.030 2 626 58 58 ASP C C 174.787 0.300 1 627 58 58 ASP CA C 56.311 0.300 1 628 58 58 ASP CB C 40.363 0.300 1 629 58 58 ASP N N 115.679 0.300 1 630 59 59 LYS H H 7.621 0.030 1 631 59 59 LYS HA H 4.445 0.030 1 632 59 59 LYS HB2 H 1.874 0.030 1 633 59 59 LYS HB3 H 1.874 0.030 1 634 59 59 LYS HD2 H 1.791 0.030 1 635 59 59 LYS HD3 H 1.791 0.030 1 636 59 59 LYS HE2 H 3.060 0.030 1 637 59 59 LYS HE3 H 3.060 0.030 1 638 59 59 LYS HG2 H 1.399 0.030 2 639 59 59 LYS HG3 H 1.484 0.030 2 640 59 59 LYS C C 176.689 0.300 1 641 59 59 LYS CA C 56.137 0.300 1 642 59 59 LYS CB C 33.189 0.300 1 643 59 59 LYS CD C 29.087 0.300 1 644 59 59 LYS CE C 42.411 0.300 1 645 59 59 LYS CG C 25.303 0.300 1 646 59 59 LYS N N 118.897 0.300 1 647 60 60 PHE H H 9.002 0.030 1 648 60 60 PHE HA H 3.618 0.030 1 649 60 60 PHE HB2 H 3.043 0.030 2 650 60 60 PHE HB3 H 2.793 0.030 2 651 60 60 PHE HD1 H 6.642 0.030 1 652 60 60 PHE HD2 H 6.642 0.030 1 653 60 60 PHE HE1 H 6.998 0.030 1 654 60 60 PHE HE2 H 6.998 0.030 1 655 60 60 PHE HZ H 7.114 0.030 1 656 60 60 PHE C C 175.214 0.300 1 657 60 60 PHE CA C 59.692 0.300 1 658 60 60 PHE CB C 39.036 0.300 1 659 60 60 PHE CD1 C 131.575 0.300 1 660 60 60 PHE CD2 C 131.575 0.300 1 661 60 60 PHE CE1 C 130.814 0.300 1 662 60 60 PHE CE2 C 130.814 0.300 1 663 60 60 PHE CZ C 128.878 0.300 1 664 60 60 PHE N N 125.702 0.300 1 665 61 61 TYR H H 8.578 0.030 1 666 61 61 TYR HA H 4.706 0.030 1 667 61 61 TYR HB2 H 2.597 0.030 2 668 61 61 TYR HB3 H 2.707 0.030 2 669 61 61 TYR HD1 H 6.911 0.030 1 670 61 61 TYR HD2 H 6.911 0.030 1 671 61 61 TYR HE1 H 6.959 0.030 1 672 61 61 TYR HE2 H 6.959 0.030 1 673 61 61 TYR C C 175.352 0.300 1 674 61 61 TYR CA C 56.911 0.300 1 675 61 61 TYR CB C 38.657 0.300 1 676 61 61 TYR CD1 C 131.382 0.300 1 677 61 61 TYR CD2 C 131.382 0.300 1 678 61 61 TYR CE1 C 118.358 0.300 1 679 61 61 TYR CE2 C 118.358 0.300 1 680 61 61 TYR N N 126.901 0.300 1 681 62 62 SER H H 6.575 0.030 1 682 62 62 SER HA H 4.281 0.030 1 683 62 62 SER HB2 H 3.718 0.030 2 684 62 62 SER HB3 H 3.443 0.030 2 685 62 62 SER C C 173.739 0.300 1 686 62 62 SER CA C 58.654 0.300 1 687 62 62 SER CB C 65.908 0.300 1 688 62 62 SER N N 108.120 0.300 1 689 63 63 LYS H H 8.881 0.030 1 690 63 63 LYS HA H 4.869 0.030 1 691 63 63 LYS HB2 H 1.980 0.030 1 692 63 63 LYS HB3 H 1.980 0.030 1 693 63 63 LYS HD2 H 1.924 0.030 2 694 63 63 LYS HD3 H 1.831 0.030 2 695 63 63 LYS HE2 H 3.056 0.030 1 696 63 63 LYS HE3 H 3.056 0.030 1 697 63 63 LYS HG2 H 1.751 0.030 2 698 63 63 LYS HG3 H 1.792 0.030 2 699 63 63 LYS C C 177.642 0.300 1 700 63 63 LYS CA C 55.951 0.300 1 701 63 63 LYS CB C 33.235 0.300 1 702 63 63 LYS CD C 29.251 0.300 1 703 63 63 LYS CE C 42.247 0.300 1 704 63 63 LYS CG C 25.733 0.300 1 705 63 63 LYS N N 122.362 0.300 1 706 64 64 LEU H H 8.046 0.030 1 707 64 64 LEU HA H 4.344 0.030 1 708 64 64 LEU HB2 H 1.730 0.030 2 709 64 64 LEU HB3 H 0.942 0.030 2 710 64 64 LEU HD1 H -0.124 0.030 1 711 64 64 LEU HD2 H 0.542 0.030 1 712 64 64 LEU HG H 0.836 0.030 1 713 64 64 LEU C C 175.907 0.300 1 714 64 64 LEU CA C 52.976 0.300 1 715 64 64 LEU CB C 38.856 0.300 1 716 64 64 LEU CD1 C 22.736 0.300 2 717 64 64 LEU CD2 C 26.264 0.300 2 718 64 64 LEU CG C 26.043 0.300 1 719 64 64 LEU N N 124.826 0.300 1 720 65 65 ASP H H 7.718 0.030 1 721 65 65 ASP HA H 4.620 0.030 1 722 65 65 ASP HB2 H 3.081 0.030 2 723 65 65 ASP HB3 H 2.467 0.030 2 724 65 65 ASP C C 175.646 0.300 1 725 65 65 ASP CA C 53.517 0.300 1 726 65 65 ASP CB C 41.302 0.300 1 727 65 65 ASP N N 118.293 0.300 1 728 66 66 GLN H H 7.273 0.030 1 729 66 66 GLN HA H 4.719 0.030 1 730 66 66 GLN HB2 H 2.126 0.030 2 731 66 66 GLN HB3 H 2.218 0.030 2 732 66 66 GLN HE21 H 6.814 0.030 2 733 66 66 GLN HE22 H 7.781 0.030 2 734 66 66 GLN HG2 H 2.417 0.030 2 735 66 66 GLN HG3 H 2.466 0.030 2 736 66 66 GLN C C 176.234 0.300 1 737 66 66 GLN CA C 54.601 0.300 1 738 66 66 GLN CB C 28.930 0.300 1 739 66 66 GLN CG C 33.446 0.300 1 740 66 66 GLN N N 120.430 0.300 1 741 66 66 GLN NE2 N 113.240 0.300 1 742 67 67 GLU H H 8.714 0.030 1 743 67 67 GLU HA H 3.931 0.030 1 744 67 67 GLU HB2 H 2.185 0.030 2 745 67 67 GLU HB3 H 1.946 0.030 2 746 67 67 GLU HG2 H 2.447 0.030 2 747 67 67 GLU HG3 H 2.285 0.030 2 748 67 67 GLU C C 176.433 0.300 1 749 67 67 GLU CA C 59.689 0.300 1 750 67 67 GLU CB C 30.149 0.300 1 751 67 67 GLU CG C 36.242 0.300 1 752 67 67 GLU N N 123.868 0.300 1 753 68 68 ASP H H 8.437 0.030 1 754 68 68 ASP HA H 4.731 0.030 1 755 68 68 ASP HB2 H 2.833 0.030 2 756 68 68 ASP HB3 H 2.717 0.030 2 757 68 68 ASP C C 176.380 0.300 1 758 68 68 ASP CA C 52.937 0.300 1 759 68 68 ASP CB C 40.519 0.300 1 760 68 68 ASP N N 111.872 0.300 1 761 69 69 ALA H H 7.503 0.030 1 762 69 69 ALA HA H 4.331 0.030 1 763 69 69 ALA HB H 1.517 0.030 1 764 69 69 ALA C C 176.575 0.300 1 765 69 69 ALA CA C 51.478 0.300 1 766 69 69 ALA CB C 20.274 0.300 1 767 69 69 ALA N N 122.966 0.300 1 768 70 70 LEU H H 8.333 0.030 1 769 70 70 LEU HA H 4.821 0.030 1 770 70 70 LEU HB2 H 1.617 0.030 1 771 70 70 LEU HB3 H 1.617 0.030 1 772 70 70 LEU HD1 H 0.905 0.030 1 773 70 70 LEU HD2 H 0.778 0.030 1 774 70 70 LEU HG H 1.792 0.030 1 775 70 70 LEU C C 180.599 0.300 1 776 70 70 LEU CA C 53.699 0.300 1 777 70 70 LEU CB C 40.984 0.300 1 778 70 70 LEU CD1 C 25.385 0.300 2 779 70 70 LEU CD2 C 22.675 0.300 2 780 70 70 LEU CG C 27.195 0.300 1 781 70 70 LEU N N 116.927 0.300 1 782 71 71 LEU H H 9.583 0.030 1 783 71 71 LEU HA H 4.030 0.030 1 784 71 71 LEU HB2 H 1.667 0.030 2 785 71 71 LEU HB3 H 1.005 0.030 2 786 71 71 LEU HD1 H 0.030 0.030 1 787 71 71 LEU HD2 H 0.404 0.030 1 788 71 71 LEU HG H 1.192 0.030 1 789 71 71 LEU C C 177.599 0.300 1 790 71 71 LEU CA C 58.850 0.300 1 791 71 71 LEU CB C 42.175 0.300 1 792 71 71 LEU CD1 C 24.093 0.300 2 793 71 71 LEU CD2 C 23.056 0.300 2 794 71 71 LEU CG C 27.084 0.300 1 795 71 71 LEU N N 127.596 0.300 1 796 72 72 GLY H H 8.624 0.030 1 797 72 72 GLY HA2 H 4.118 0.030 2 798 72 72 GLY HA3 H 3.893 0.030 2 799 72 72 GLY C C 173.995 0.300 1 800 72 72 GLY CA C 45.457 0.300 1 801 72 72 GLY N N 123.159 0.300 1 802 73 73 SER H H 8.117 0.030 1 803 73 73 SER HA H 4.344 0.030 1 804 73 73 SER HB2 H 3.842 0.030 2 805 73 73 SER HB3 H 3.881 0.030 2 806 73 73 SER C C 174.205 0.300 1 807 73 73 SER CA C 59.907 0.300 1 808 73 73 SER CB C 63.506 0.300 1 809 73 73 SER N N 115.774 0.300 1 810 74 74 TYR H H 7.656 0.030 1 811 74 74 TYR HA H 4.611 0.030 1 812 74 74 TYR HB2 H 2.979 0.030 2 813 74 74 TYR HB3 H 2.679 0.030 2 814 74 74 TYR HD1 H 7.212 0.030 1 815 74 74 TYR HD2 H 7.212 0.030 1 816 74 74 TYR HE1 H 6.819 0.030 1 817 74 74 TYR HE2 H 6.819 0.030 1 818 74 74 TYR C C 175.459 0.300 1 819 74 74 TYR CA C 57.412 0.300 1 820 74 74 TYR CB C 38.446 0.300 1 821 74 74 TYR CD1 C 133.795 0.300 1 822 74 74 TYR CD2 C 133.795 0.300 1 823 74 74 TYR CE1 C 118.618 0.300 1 824 74 74 TYR CE2 C 118.618 0.300 1 825 74 74 TYR N N 122.922 0.300 1 826 75 75 PRO HA H 4.744 0.030 1 827 75 75 PRO HB2 H 2.193 0.030 2 828 75 75 PRO HB3 H 1.782 0.030 2 829 75 75 PRO HD2 H 3.482 0.030 2 830 75 75 PRO HD3 H 3.790 0.030 2 831 75 75 PRO HG2 H 1.621 0.030 2 832 75 75 PRO HG3 H 1.901 0.030 2 833 75 75 PRO C C 175.209 0.300 1 834 75 75 PRO CA C 63.038 0.300 1 835 75 75 PRO CB C 27.263 0.300 1 836 75 75 PRO CD C 50.307 0.300 1 837 75 75 PRO CG C 27.359 0.300 1 838 76 76 VAL H H 8.545 0.030 1 839 76 76 VAL HA H 4.265 0.030 1 840 76 76 VAL HB H 1.808 0.030 1 841 76 76 VAL HG1 H 0.823 0.030 1 842 76 76 VAL HG2 H 0.858 0.030 1 843 76 76 VAL C C 173.329 0.300 1 844 76 76 VAL CA C 60.827 0.300 1 845 76 76 VAL CB C 33.441 0.300 1 846 76 76 VAL CG1 C 21.137 0.300 2 847 76 76 VAL CG2 C 21.652 0.300 2 848 76 76 VAL N N 120.741 0.300 1 849 77 77 ASP H H 7.740 0.030 1 850 77 77 ASP HA H 4.794 0.030 1 851 77 77 ASP HB2 H 2.581 0.030 2 852 77 77 ASP HB3 H 2.766 0.030 2 853 77 77 ASP C C 174.409 0.300 1 854 77 77 ASP CA C 52.604 0.300 1 855 77 77 ASP CB C 44.571 0.300 1 856 77 77 ASP N N 125.487 0.300 1 857 78 78 ASP H H 8.640 0.030 1 858 78 78 ASP HA H 5.196 0.030 1 859 78 78 ASP HB2 H 2.703 0.030 2 860 78 78 ASP HB3 H 2.585 0.030 2 861 78 78 ASP C C 178.339 0.300 1 862 78 78 ASP CA C 55.616 0.300 1 863 78 78 ASP CB C 40.576 0.300 1 864 78 78 ASP N N 120.584 0.300 1 865 79 79 GLY H H 9.220 0.030 1 866 79 79 GLY HA2 H 4.481 0.030 2 867 79 79 GLY HA3 H 3.731 0.030 2 868 79 79 GLY C C 175.414 0.300 1 869 79 79 GLY CA C 45.085 0.300 1 870 79 79 GLY N N 110.966 0.300 1 871 80 80 CYS H H 7.875 0.030 1 872 80 80 CYS HA H 4.419 0.030 1 873 80 80 CYS HB2 H 3.307 0.030 2 874 80 80 CYS HB3 H 3.237 0.030 2 875 80 80 CYS C C 170.643 0.300 1 876 80 80 CYS CA C 61.120 0.300 1 877 80 80 CYS CB C 28.703 0.300 1 878 80 80 CYS N N 115.887 0.300 1 879 81 81 ARG H H 8.897 0.030 1 880 81 81 ARG HA H 5.782 0.030 1 881 81 81 ARG HB2 H 1.937 0.030 2 882 81 81 ARG HB3 H 1.758 0.030 2 883 81 81 ARG HD2 H 2.815 0.030 2 884 81 81 ARG HD3 H 3.145 0.030 2 885 81 81 ARG HE H 7.443 0.030 1 886 81 81 ARG HG2 H 1.392 0.030 2 887 81 81 ARG HG3 H 1.314 0.030 2 888 81 81 ARG C C 174.262 0.300 1 889 81 81 ARG CA C 54.071 0.300 1 890 81 81 ARG CB C 35.749 0.300 1 891 81 81 ARG CD C 43.464 0.300 1 892 81 81 ARG CG C 27.771 0.300 1 893 81 81 ARG N N 120.365 0.300 1 894 81 81 ARG NE N 80.487 0.300 1 895 82 82 ILE H H 9.466 0.030 1 896 82 82 ILE HA H 5.179 0.030 1 897 82 82 ILE HB H 2.168 0.030 1 898 82 82 ILE HD1 H 0.876 0.030 1 899 82 82 ILE HG12 H 1.576 0.030 1 900 82 82 ILE HG13 H 1.576 0.030 1 901 82 82 ILE HG2 H 0.867 0.030 1 902 82 82 ILE C C 172.934 0.300 1 903 82 82 ILE CA C 58.615 0.300 1 904 82 82 ILE CB C 37.915 0.300 1 905 82 82 ILE CD1 C 12.674 0.300 1 906 82 82 ILE CG1 C 28.264 0.300 1 907 82 82 ILE CG2 C 18.061 0.300 1 908 82 82 ILE N N 128.018 0.300 1 909 83 83 HIS H H 9.579 0.030 1 910 83 83 HIS HA H 5.347 0.030 1 911 83 83 HIS HB2 H 3.418 0.030 2 912 83 83 HIS HB3 H 2.668 0.030 2 913 83 83 HIS HD2 H 6.998 0.030 1 914 83 83 HIS HE1 H 7.264 0.030 1 915 83 83 HIS C C 174.571 0.300 1 916 83 83 HIS CA C 54.229 0.300 1 917 83 83 HIS CB C 35.183 0.300 1 918 83 83 HIS CD2 C 117.591 0.300 1 919 83 83 HIS CE1 C 137.782 0.300 1 920 83 83 HIS N N 128.272 0.300 1 921 84 84 VAL H H 8.528 0.030 1 922 84 84 VAL HA H 4.106 0.030 1 923 84 84 VAL HB H 2.093 0.030 1 924 84 84 VAL HG1 H 0.708 0.030 1 925 84 84 VAL HG2 H 0.879 0.030 1 926 84 84 VAL C C 174.945 0.300 1 927 84 84 VAL CA C 61.807 0.300 1 928 84 84 VAL CB C 31.664 0.300 1 929 84 84 VAL CG1 C 21.191 0.300 2 930 84 84 VAL CG2 C 21.191 0.300 2 931 84 84 VAL N N 127.156 0.300 1 932 85 85 ILE H H 9.247 0.030 1 933 85 85 ILE HA H 3.843 0.030 1 934 85 85 ILE HB H 1.837 0.030 1 935 85 85 ILE HD1 H 0.836 0.030 1 936 85 85 ILE HG12 H 1.441 0.030 2 937 85 85 ILE HG13 H 0.870 0.030 2 938 85 85 ILE HG2 H 0.468 0.030 1 939 85 85 ILE C C 174.945 0.300 1 940 85 85 ILE CA C 61.043 0.300 1 941 85 85 ILE CB C 38.749 0.300 1 942 85 85 ILE CD1 C 13.870 0.300 1 943 85 85 ILE CG1 C 28.429 0.300 1 944 85 85 ILE CG2 C 17.613 0.300 1 945 85 85 ILE N N 129.349 0.300 1 946 86 86 ASP H H 7.670 0.030 1 947 86 86 ASP HA H 4.694 0.030 1 948 86 86 ASP HB2 H 2.419 0.030 2 949 86 86 ASP HB3 H 2.485 0.030 2 950 86 86 ASP C C 176.611 0.300 1 951 86 86 ASP CA C 53.465 0.300 1 952 86 86 ASP CB C 42.933 0.300 1 953 86 86 ASP N N 125.833 0.300 1 954 87 87 HIS H H 8.608 0.030 1 955 87 87 HIS HA H 4.931 0.030 1 956 87 87 HIS HB2 H 3.503 0.030 2 957 87 87 HIS HB3 H 3.143 0.030 2 958 87 87 HIS HD2 H 7.110 0.030 1 959 87 87 HIS HE1 H 8.503 0.030 1 960 87 87 HIS C C 175.238 0.300 1 961 87 87 HIS CA C 55.364 0.300 1 962 87 87 HIS CB C 28.250 0.300 1 963 87 87 HIS CD2 C 120.117 0.300 1 964 87 87 HIS CE1 C 136.834 0.300 1 965 87 87 HIS N N 123.159 0.300 1 966 88 88 SER H H 8.718 0.030 1 967 88 88 SER HA H 4.395 0.030 1 968 88 88 SER HB2 H 4.014 0.030 1 969 88 88 SER HB3 H 4.014 0.030 1 970 88 88 SER C C 175.346 0.300 1 971 88 88 SER CA C 61.128 0.300 1 972 88 88 SER CB C 63.642 0.300 1 973 88 88 SER N N 118.530 0.300 1 974 89 89 GLY H H 8.534 0.030 1 975 89 89 GLY HA2 H 4.006 0.030 1 976 89 89 GLY HA3 H 4.006 0.030 1 977 89 89 GLY C C 174.407 0.300 1 978 89 89 GLY CA C 45.476 0.300 1 979 89 89 GLY N N 110.699 0.300 1 980 90 90 SER H H 8.270 0.030 1 981 90 90 SER HA H 4.519 0.030 1 982 90 90 SER HB2 H 3.906 0.030 1 983 90 90 SER HB3 H 3.906 0.030 1 984 90 90 SER C C 174.757 0.300 1 985 90 90 SER CA C 58.380 0.300 1 986 90 90 SER CB C 63.950 0.300 1 987 90 90 SER N N 115.584 0.300 1 988 91 91 GLY H H 8.312 0.030 1 989 91 91 GLY HA2 H 4.091 0.030 2 990 91 91 GLY HA3 H 4.169 0.030 2 991 91 91 GLY C C 171.811 0.300 1 992 91 91 GLY CA C 44.688 0.300 1 993 91 91 GLY N N 110.822 0.300 1 994 92 92 PRO HA H 4.483 0.030 1 995 92 92 PRO HB2 H 1.979 0.030 2 996 92 92 PRO HB3 H 2.300 0.030 2 997 92 92 PRO HD2 H 3.642 0.030 1 998 92 92 PRO HD3 H 3.642 0.030 1 999 92 92 PRO HG2 H 2.020 0.030 1 1000 92 92 PRO HG3 H 2.020 0.030 1 1001 92 92 PRO C C 177.420 0.300 1 1002 92 92 PRO CA C 63.196 0.300 1 1003 92 92 PRO CB C 32.248 0.300 1 1004 92 92 PRO CD C 49.879 0.300 1 1005 93 93 SER H H 8.527 0.030 1 1006 93 93 SER HA H 4.469 0.030 1 1007 93 93 SER C C 174.611 0.300 1 1008 93 93 SER CA C 58.361 0.300 1 1009 93 93 SER CB C 63.931 0.300 1 1010 93 93 SER N N 116.471 0.300 1 1011 94 94 SER H H 8.459 0.030 1 1012 94 94 SER HA H 4.556 0.030 1 1013 94 94 SER HB2 H 3.918 0.030 1 1014 94 94 SER HB3 H 3.918 0.030 1 1015 94 94 SER C C 173.946 0.300 1 1016 94 94 SER CA C 58.435 0.300 1 1017 94 94 SER CB C 64.015 0.300 1 1018 94 94 SER N N 118.100 0.300 1 1019 95 95 GLY H H 8.050 0.030 1 1020 95 95 GLY C C 178.980 0.300 1 1021 95 95 GLY CA C 46.242 0.300 1 1022 95 95 GLY N N 116.903 0.300 1 stop_ save_