data_16989 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Solution structure of the RRM domain of CYP33 ; _BMRB_accession_number 16989 _BMRB_flat_file_name bmr16989.str _Entry_type original _Submission_date 2010-06-09 _Accession_date 2010-06-09 _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 Park Sangho . . 2 Bushweller John H. . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 436 "13C chemical shifts" 330 "15N chemical shifts" 77 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2010-08-12 original author . stop_ _Original_release_date 2010-08-12 save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title 'The PHD3 Domain of MLL Acts as a CYP33-Regulated Switch between MLL-Mediated Activation and Repression .' _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 20677832 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Park Sangho . . 2 Osmers Ute . . 3 Raman Gayathree . . 4 Schwantes Rebecca H. . 5 Diaz Manuel O. . 6 Bushweller John H. . stop_ _Journal_abbreviation Biochemistry _Journal_name_full Biochemistry _Journal_volume 49 _Journal_issue 31 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 6576 _Page_last 6586 _Year 2010 _Details . save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name CYP33 _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label CYP33 $CYP33 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_CYP33 _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common CYP33 _Molecular_mass 9211.386 _Mol_thiol_state 'not present' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 83 _Mol_residue_sequence ; GSTTKRVLYVGGLAEEVDDK VLHAAFIPFGDITDIQIPLD YETEKHRGFAFVEFELAEDA AAAIDNMNESELFGRTIRVN LAK ; loop_ _Residue_seq_code _Residue_label 1 GLY 2 SER 3 THR 4 THR 5 LYS 6 ARG 7 VAL 8 LEU 9 TYR 10 VAL 11 GLY 12 GLY 13 LEU 14 ALA 15 GLU 16 GLU 17 VAL 18 ASP 19 ASP 20 LYS 21 VAL 22 LEU 23 HIS 24 ALA 25 ALA 26 PHE 27 ILE 28 PRO 29 PHE 30 GLY 31 ASP 32 ILE 33 THR 34 ASP 35 ILE 36 GLN 37 ILE 38 PRO 39 LEU 40 ASP 41 TYR 42 GLU 43 THR 44 GLU 45 LYS 46 HIS 47 ARG 48 GLY 49 PHE 50 ALA 51 PHE 52 VAL 53 GLU 54 PHE 55 GLU 56 LEU 57 ALA 58 GLU 59 ASP 60 ALA 61 ALA 62 ALA 63 ALA 64 ILE 65 ASP 66 ASN 67 MET 68 ASN 69 GLU 70 SER 71 GLU 72 LEU 73 PHE 74 GLY 75 ARG 76 THR 77 ILE 78 ARG 79 VAL 80 ASN 81 LEU 82 ALA 83 LYS 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 2CQB "Solution Structure Of The Rna Recognition Motif In Peptidyl- Prolyl Cis-Trans Isomerase E" 98.80 102 98.78 100.00 1.30e-50 PDB 2KU7 "Solution Structure Of Mll1 Phd3-Cyp33 Rrm Chimeric Protein" 97.59 140 98.77 100.00 1.19e-49 PDB 2KYX "Solution Structure Of The Rrm Domain Of Cyp33" 100.00 83 100.00 100.00 1.12e-51 PDB 3LPY "Crystal Structure Of The Rrm Domain Of Cyp33" 95.18 79 98.73 100.00 4.92e-48 PDB 3MDF "Crystal Structure Of The Rrm Domain Of Cyclophilin 33" 98.80 85 98.78 100.00 2.36e-50 DBJ BAB25512 "unnamed protein product [Mus musculus]" 98.80 301 98.78 100.00 4.01e-48 DBJ BAE01400 "unnamed protein product [Macaca fascicularis]" 98.80 301 97.56 100.00 2.09e-47 DBJ BAF85783 "unnamed protein product [Homo sapiens]" 97.59 301 98.77 100.00 2.42e-47 DBJ BAG36418 "unnamed protein product [Homo sapiens]" 98.80 301 98.78 100.00 4.86e-48 DBJ BAG73521 "peptidylprolyl isomerase E [synthetic construct]" 98.80 314 98.78 100.00 4.20e-48 EMBL CAH92437 "hypothetical protein [Pongo abelii]" 98.80 301 98.78 100.00 4.92e-48 GB AAC00006 "cyclophilin-33A [Homo sapiens]" 98.80 301 98.78 100.00 4.92e-48 GB AAC00007 "cyclophilin-33B [Homo sapiens]" 98.80 296 98.78 100.00 7.20e-48 GB AAD19906 "peptidyl-prolyl cis-trans isomerase E [Homo sapiens]" 98.80 301 98.78 100.00 4.86e-48 GB AAD19907 "peptidyl-prolyl cis-trans isomerase E [Homo sapiens]" 98.80 296 98.78 100.00 7.20e-48 GB AAF01030 "cyclophilin-33 [Mus musculus]" 96.39 298 98.75 98.75 2.73e-46 REF NP_001041333 "peptidyl-prolyl cis-trans isomerase E [Rattus norvegicus]" 98.80 255 98.78 100.00 6.38e-49 REF NP_001091630 "peptidyl-prolyl cis-trans isomerase E [Bos taurus]" 98.80 301 98.78 100.00 8.13e-48 REF NP_001126436 "peptidyl-prolyl cis-trans isomerase E [Pongo abelii]" 98.80 301 98.78 100.00 4.92e-48 REF NP_001156520 "peptidyl-prolyl cis-trans isomerase E [Ovis aries]" 98.80 301 98.78 100.00 8.13e-48 REF NP_001181936 "peptidyl-prolyl cis-trans isomerase E isoform 4 [Homo sapiens]" 98.80 314 98.78 100.00 4.20e-48 SP A4FV72 "RecName: Full=Peptidyl-prolyl cis-trans isomerase E; Short=PPIase E; AltName: Full=Cyclophilin E; AltName: Full=Rotamase E" 98.80 301 98.78 100.00 8.13e-48 SP Q5R723 "RecName: Full=Peptidyl-prolyl cis-trans isomerase E; Short=PPIase E; AltName: Full=Cyclophilin E; AltName: Full=Rotamase E" 98.80 301 98.78 100.00 4.92e-48 SP Q9QZH3 "RecName: Full=Peptidyl-prolyl cis-trans isomerase E; Short=PPIase E; AltName: Full=Cyclophilin E; AltName: Full=Cyclophilin-33;" 98.80 301 98.78 100.00 4.01e-48 SP Q9UNP9 "RecName: Full=Peptidyl-prolyl cis-trans isomerase E; Short=PPIase E; AltName: Full=Cyclophilin E; AltName: Full=Cyclophilin-33;" 98.80 301 98.78 100.00 4.86e-48 TPG DAA31059 "TPA: peptidylprolyl isomerase E [Bos taurus]" 98.80 301 98.78 100.00 6.56e-48 stop_ save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species $CYP33 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_name $CYP33 'recombinant technology' . Escherichia coli . 'pGEX 4T' stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling 'potassium phosphate' 25 mM 'natural abundance' 'sodium chloride' 50 mM 'natural abundance' DTT 1 mM 'natural abundance' 'sodium azide' 1 mM 'natural abundance' H2O 95 % 'natural abundance' D2O 5 % 'natural abundance' stop_ save_ ############################ # Computer software used # ############################ save_CNS _Saveframe_category software _Name CNS _Version . loop_ _Vendor _Address _Electronic_address 'Brunger, Adams, Clore, Gros, Nilges and Read' . . stop_ loop_ _Task 'structure solution' stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Varian _Model INOVA _Field_strength 600 _Details . save_ ############################# # NMR applied experiments # ############################# save_2D_1H-15N_HSQC_1 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N HSQC' _Sample_label $sample_1 save_ save_2D_1H-13C_HSQC_2 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-13C HSQC' _Sample_label $sample_1 save_ save_3D_CBCA(CO)NH_3 _Saveframe_category NMR_applied_experiment _Experiment_name '3D CBCA(CO)NH' _Sample_label $sample_1 save_ save_3D_C(CO)NH_4 _Saveframe_category NMR_applied_experiment _Experiment_name '3D C(CO)NH' _Sample_label $sample_1 save_ save_3D_HNCO_5 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCO' _Sample_label $sample_1 save_ save_3D_HNCAB_6 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCAB' _Sample_label $sample_1 save_ save_3D_H(CCO)NH_7 _Saveframe_category NMR_applied_experiment _Experiment_name '3D H(CCO)NH' _Sample_label $sample_1 save_ save_3D_HCCH-TOCSY_8 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HCCH-TOCSY' _Sample_label $sample_1 save_ save_3D_1H-13C_NOESY_9 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-13C NOESY' _Sample_label $sample_1 save_ save_3D_1H-15N_NOESY_10 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-15N NOESY' _Sample_label $sample_1 save_ save_3D_TROSY_HNCO_11 _Saveframe_category NMR_applied_experiment _Experiment_name '3D TROSY_HNCO' _Sample_label $sample_1 save_ save_3D_TROSY_HNCO_12 _Saveframe_category NMR_applied_experiment _Experiment_name '3D TROSY_HNCO' _Sample_label $sample_1 save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units pH 6.9 . pH temperature 303 . K stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference_1 _Saveframe_category chemical_shift_reference _Details . loop_ _Mol_common_name _Atom_type _Atom_isotope_number _Atom_group _Chem_shift_units _Chem_shift_value _Reference_method _Reference_type _External_reference_sample_geometry _External_reference_location _External_reference_axis _Indirect_shift_ratio DSS C 13 'methyl protons' ppm 0.00 na indirect . . . 0.251449530 DSS H 1 'methyl protons' ppm 0.00 internal direct . . . 1.000000000 DSS N 15 'methyl protons' ppm 0.00 na indirect . . . 0.101329118 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chem_shift_list_1 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Experiment_label '2D 1H-15N HSQC' '2D 1H-13C HSQC' '3D CBCA(CO)NH' '3D C(CO)NH' '3D HNCAB' '3D H(CCO)NH' '3D HCCH-TOCSY' stop_ loop_ _Sample_label $sample_1 stop_ _Sample_conditions_label $sample_conditions_1 _Chem_shift_reference_set_label $chemical_shift_reference_1 _Mol_system_component_name CYP33 _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 3 3 THR HA H 4.471 . 1 2 3 3 THR HB H 4.338 . 1 3 3 3 THR HG2 H 1.228 . . 4 3 3 THR CA C 61.874 . 1 5 3 3 THR CB C 69.543 . 1 6 4 4 THR HA H 4.363 . 1 7 4 4 THR HB H 4.311 . 1 8 4 4 THR HG2 H 1.243 . . 9 4 4 THR C C 174.551 . 1 10 4 4 THR CA C 62.039 . 1 11 4 4 THR CB C 69.980 . 1 12 4 4 THR CG2 C 22.006 . 1 13 5 5 LYS H H 8.439 . 1 14 5 5 LYS HA H 4.334 . 1 15 5 5 LYS HB2 H 1.984 . 2 16 5 5 LYS HB3 H 1.852 . 2 17 5 5 LYS HD2 H 1.644 . 2 18 5 5 LYS HD3 H 1.644 . 2 19 5 5 LYS HE2 H 2.944 . 2 20 5 5 LYS HE3 H 2.944 . 2 21 5 5 LYS HG2 H 1.463 . 2 22 5 5 LYS HG3 H 1.381 . 2 23 5 5 LYS C C 175.574 . 1 24 5 5 LYS CA C 57.047 . 1 25 5 5 LYS CB C 31.783 . 1 26 5 5 LYS CD C 29.294 . 1 27 5 5 LYS CE C 42.299 . 1 28 5 5 LYS CG C 25.296 . 1 29 5 5 LYS N N 120.413 . 1 30 6 6 ARG H H 8.086 . 1 31 6 6 ARG HA H 4.387 . 1 32 6 6 ARG HB2 H 2.175 . 2 33 6 6 ARG HB3 H 1.679 . 2 34 6 6 ARG HD2 H 3.330 . 2 35 6 6 ARG HD3 H 3.093 . 2 36 6 6 ARG HG2 H 1.644 . 2 37 6 6 ARG HG3 H 1.282 . 2 38 6 6 ARG C C 174.196 . 1 39 6 6 ARG CA C 56.045 . 1 40 6 6 ARG CB C 32.481 . 1 41 6 6 ARG CD C 43.866 . 1 42 6 6 ARG CG C 27.408 . 1 43 6 6 ARG N N 115.849 . 1 44 7 7 VAL H H 7.762 . 1 45 7 7 VAL HA H 4.692 . 1 46 7 7 VAL HB H 2.010 . 1 47 7 7 VAL HG1 H 0.893 . . 48 7 7 VAL HG2 H 0.863 . . 49 7 7 VAL C C 175.224 . 1 50 7 7 VAL CA C 61.635 . 1 51 7 7 VAL CB C 32.858 . 1 52 7 7 VAL CG1 C 21.607 . 2 53 7 7 VAL CG2 C 21.706 . 2 54 7 7 VAL N N 118.027 . 1 55 8 8 LEU H H 9.697 . 1 56 8 8 LEU HA H 4.974 . 1 57 8 8 LEU HB2 H 1.690 . 2 58 8 8 LEU HB3 H 1.265 . 2 59 8 8 LEU HD1 H 0.835 . . 60 8 8 LEU HD2 H 0.703 . . 61 8 8 LEU HG H 1.801 . 1 62 8 8 LEU C C 176.514 . 1 63 8 8 LEU CA C 53.517 . 1 64 8 8 LEU CB C 43.149 . 1 65 8 8 LEU CD1 C 26.486 . 2 66 8 8 LEU CD2 C 25.045 . 2 67 8 8 LEU CG C 27.042 . 1 68 8 8 LEU N N 127.735 . 1 69 9 9 TYR H H 9.200 . 1 70 9 9 TYR HA H 4.658 . 1 71 9 9 TYR HB2 H 2.783 . 2 72 9 9 TYR HB3 H 2.783 . 2 73 9 9 TYR HD1 H 6.676 . 3 74 9 9 TYR HD2 H 6.676 . 3 75 9 9 TYR HE1 H 6.177 . 3 76 9 9 TYR HE2 H 6.177 . 3 77 9 9 TYR C C 173.379 . 1 78 9 9 TYR CA C 57.561 . 1 79 9 9 TYR CB C 39.985 . 1 80 9 9 TYR CE1 C 117.494 . 3 81 9 9 TYR N N 123.740 . 1 82 10 10 VAL H H 8.208 . 1 83 10 10 VAL HA H 4.766 . 1 84 10 10 VAL HB H 1.573 . 1 85 10 10 VAL HG1 H 0.791 . . 86 10 10 VAL HG2 H 0.516 . . 87 10 10 VAL C C 174.134 . 1 88 10 10 VAL CA C 60.071 . 1 89 10 10 VAL CB C 33.176 . 1 90 10 10 VAL CG1 C 22.103 . 2 91 10 10 VAL CG2 C 21.101 . 2 92 10 10 VAL N N 127.466 . 1 93 11 11 GLY H H 9.274 . 1 94 11 11 GLY HA2 H 4.805 . 2 95 11 11 GLY HA3 H 3.690 . 2 96 11 11 GLY C C 173.721 . 1 97 11 11 GLY CA C 43.194 . 1 98 11 11 GLY N N 112.226 . 1 99 12 12 GLY H H 8.061 . 1 100 12 12 GLY HA2 H 4.418 . 2 101 12 12 GLY HA3 H 3.748 . 2 102 12 12 GLY C C 175.102 . 1 103 12 12 GLY CA C 45.965 . 1 104 12 12 GLY N N 107.212 . 1 105 13 13 LEU H H 7.850 . 1 106 13 13 LEU HA H 4.056 . 1 107 13 13 LEU HB2 H 1.137 . 2 108 13 13 LEU HB3 H 0.853 . 2 109 13 13 LEU HD1 H 0.209 . . 110 13 13 LEU HD2 H 0.519 . . 111 13 13 LEU HG H 1.291 . 1 112 13 13 LEU C C 177.396 . 1 113 13 13 LEU CA C 53.941 . 1 114 13 13 LEU CB C 42.197 . 1 115 13 13 LEU CD1 C 25.526 . 2 116 13 13 LEU CD2 C 22.501 . 2 117 13 13 LEU CG C 26.316 . 1 118 13 13 LEU N N 116.147 . 1 119 14 14 ALA H H 8.543 . 1 120 14 14 ALA HA H 4.264 . 1 121 14 14 ALA HB H 1.653 . . 122 14 14 ALA C C 178.006 . 1 123 14 14 ALA CA C 51.510 . 1 124 14 14 ALA CB C 19.745 . 1 125 14 14 ALA N N 126.725 . 1 126 15 15 GLU H H 9.050 . 1 127 15 15 GLU HA H 3.568 . 1 128 15 15 GLU HB2 H 1.928 . 2 129 15 15 GLU HB3 H 1.858 . 2 130 15 15 GLU HG2 H 2.202 . 2 131 15 15 GLU HG3 H 2.202 . 2 132 15 15 GLU C C 177.369 . 1 133 15 15 GLU CA C 60.122 . 1 134 15 15 GLU CB C 29.426 . 1 135 15 15 GLU CG C 36.740 . 1 136 15 15 GLU N N 122.580 . 1 137 16 16 GLU H H 8.957 . 1 138 16 16 GLU HA H 3.970 . 1 139 16 16 GLU HB2 H 1.765 . 2 140 16 16 GLU HB3 H 1.497 . 2 141 16 16 GLU HG2 H 2.229 . 2 142 16 16 GLU HG3 H 2.086 . 2 143 16 16 GLU C C 176.502 . 1 144 16 16 GLU CA C 58.090 . 1 145 16 16 GLU CB C 29.040 . 1 146 16 16 GLU CG C 37.022 . 1 147 16 16 GLU N N 114.200 . 1 148 17 17 VAL H H 7.485 . 1 149 17 17 VAL HA H 3.104 . 1 150 17 17 VAL HB H 2.058 . 1 151 17 17 VAL HG1 H 0.801 . . 152 17 17 VAL HG2 H 0.728 . . 153 17 17 VAL C C 173.344 . 1 154 17 17 VAL CA C 65.274 . 1 155 17 17 VAL CB C 30.834 . 1 156 17 17 VAL CG1 C 23.268 . 2 157 17 17 VAL CG2 C 22.329 . 2 158 17 17 VAL N N 119.129 . 1 159 18 18 ASP H H 6.720 . 1 160 18 18 ASP HA H 4.675 . 1 161 18 18 ASP HB2 H 3.161 . 2 162 18 18 ASP HB3 H 2.736 . 2 163 18 18 ASP C C 175.751 . 1 164 18 18 ASP CA C 51.466 . 1 165 18 18 ASP CB C 42.803 . 1 166 18 18 ASP N N 125.048 . 1 167 19 19 ASP H H 8.744 . 1 168 19 19 ASP HA H 3.909 . 1 169 19 19 ASP HB2 H 2.587 . 2 170 19 19 ASP HB3 H 2.587 . 2 171 19 19 ASP C C 177.325 . 1 172 19 19 ASP CA C 57.598 . 1 173 19 19 ASP CB C 39.206 . 1 174 19 19 ASP N N 115.935 . 1 175 20 20 LYS H H 7.607 . 1 176 20 20 LYS HA H 4.082 . 1 177 20 20 LYS HB2 H 2.116 . 2 178 20 20 LYS HB3 H 1.867 . 2 179 20 20 LYS HD2 H 1.670 . 2 180 20 20 LYS HD3 H 1.670 . 2 181 20 20 LYS HE2 H 3.005 . 2 182 20 20 LYS HE3 H 3.005 . 2 183 20 20 LYS HG2 H 1.520 . 2 184 20 20 LYS HG3 H 1.427 . 2 185 20 20 LYS C C 180.400 . 1 186 20 20 LYS CA C 59.311 . 1 187 20 20 LYS CB C 31.536 . 1 188 20 20 LYS CD C 28.697 . 1 189 20 20 LYS CE C 41.992 . 1 190 20 20 LYS CG C 24.978 . 1 191 20 20 LYS N N 121.329 . 1 192 21 21 VAL H H 8.282 . 1 193 21 21 VAL HA H 3.799 . 1 194 21 21 VAL HB H 2.171 . 1 195 21 21 VAL HG1 H 1.250 . . 196 21 21 VAL HG2 H 0.955 . . 197 21 21 VAL C C 179.014 . 1 198 21 21 VAL CA C 65.928 . 1 199 21 21 VAL CB C 32.445 . 1 200 21 21 VAL CG1 C 22.449 . 2 201 21 21 VAL CG2 C 22.446 . 2 202 21 21 VAL N N 122.249 . 1 203 22 22 LEU H H 8.026 . 1 204 22 22 LEU HA H 4.061 . 1 205 22 22 LEU HB2 H 1.710 . 2 206 22 22 LEU HB3 H 1.267 . 2 207 22 22 LEU HD1 H 0.457 . . 208 22 22 LEU HD2 H 0.587 . . 209 22 22 LEU HG H 1.520 . 1 210 22 22 LEU C C 178.092 . 1 211 22 22 LEU CA C 57.951 . 1 212 22 22 LEU CB C 42.613 . 1 213 22 22 LEU CD1 C 26.044 . 2 214 22 22 LEU CD2 C 23.893 . 2 215 22 22 LEU CG C 26.300 . 1 216 22 22 LEU N N 118.642 . 1 217 23 23 HIS H H 8.584 . 1 218 23 23 HIS HA H 3.805 . 1 219 23 23 HIS HB2 H 3.194 . 2 220 23 23 HIS HB3 H 3.129 . 2 221 23 23 HIS HD2 H 6.837 . 1 222 23 23 HIS C C 176.475 . 1 223 23 23 HIS CA C 62.003 . 1 224 23 23 HIS CB C 30.737 . 1 225 23 23 HIS CD2 C 118.391 . 1 226 23 23 HIS N N 119.239 . 1 227 24 24 ALA H H 7.784 . 1 228 24 24 ALA HA H 4.117 . 1 229 24 24 ALA HB H 1.553 . . 230 24 24 ALA C C 179.697 . 1 231 24 24 ALA CA C 54.802 . 1 232 24 24 ALA CB C 18.166 . 1 233 24 24 ALA N N 117.598 . 1 234 25 25 ALA H H 7.838 . 1 235 25 25 ALA HA H 4.146 . 1 236 25 25 ALA HB H 1.354 . . 237 25 25 ALA C C 177.582 . 1 238 25 25 ALA CA C 53.614 . 1 239 25 25 ALA CB C 18.723 . 1 240 25 25 ALA N N 117.250 . 1 241 26 26 PHE H H 7.825 . 1 242 26 26 PHE HA H 4.972 . 1 243 26 26 PHE HB2 H 3.403 . 2 244 26 26 PHE HB3 H 2.854 . 2 245 26 26 PHE HD1 H 7.683 . 3 246 26 26 PHE HD2 H 7.688 . 3 247 26 26 PHE HE1 H 6.898 . 3 248 26 26 PHE HE2 H 6.886 . 3 249 26 26 PHE C C 175.668 . 1 250 26 26 PHE CA C 60.366 . 1 251 26 26 PHE CB C 40.681 . 1 252 26 26 PHE CD1 C 131.786 . 3 253 26 26 PHE CD2 C 138.249 . 3 254 26 26 PHE CE1 C 128.433 . 3 255 26 26 PHE CE2 C 130.838 . 3 256 26 26 PHE N N 112.300 . 1 257 27 27 ILE H H 8.663 . 1 258 27 27 ILE HA H 4.673 . 1 259 27 27 ILE HB H 1.551 . 1 260 27 27 ILE HD1 H 1.073 . . 261 27 27 ILE HG12 H 1.378 . 2 262 27 27 ILE HG13 H 1.316 . 2 263 27 27 ILE HG2 H 0.924 . . 264 27 27 ILE CA C 60.743 . 1 265 27 27 ILE CB C 38.386 . 1 266 27 27 ILE CD1 C 14.504 . 1 267 27 27 ILE CG1 C 29.631 . 1 268 27 27 ILE CG2 C 19.504 . 1 269 27 27 ILE N N 123.368 . 1 270 28 28 PRO HA H 4.106 . 1 271 28 28 PRO HB2 H 1.929 . 2 272 28 28 PRO HB3 H 0.390 . 2 273 28 28 PRO HD2 H 3.774 . 2 274 28 28 PRO HD3 H 2.904 . 2 275 28 28 PRO HG2 H 1.624 . 2 276 28 28 PRO HG3 H 1.624 . 2 277 28 28 PRO C C 177.891 . 1 278 28 28 PRO CA C 65.353 . 1 279 28 28 PRO CB C 30.812 . 1 280 28 28 PRO CD C 52.218 . 1 281 28 28 PRO CG C 28.334 . 1 282 29 29 PHE H H 7.543 . 1 283 29 29 PHE HA H 4.164 . 1 284 29 29 PHE HB2 H 3.293 . 2 285 29 29 PHE HB3 H 2.984 . 2 286 29 29 PHE HD1 H 7.546 . 3 287 29 29 PHE HD2 H 7.546 . 3 288 29 29 PHE HE1 H 7.335 . 3 289 29 29 PHE HE2 H 7.335 . 3 290 29 29 PHE C C 174.533 . 1 291 29 29 PHE CA C 59.610 . 1 292 29 29 PHE CB C 38.803 . 1 293 29 29 PHE CD1 C 131.702 . 3 294 29 29 PHE CE1 C 131.653 . 3 295 29 29 PHE N N 112.082 . 1 296 30 30 GLY H H 7.569 . 1 297 30 30 GLY HA2 H 4.985 . 2 298 30 30 GLY HA3 H 3.740 . 2 299 30 30 GLY C C 170.952 . 1 300 30 30 GLY CA C 44.376 . 1 301 30 30 GLY N N 106.056 . 1 302 31 31 ASP H H 7.969 . 1 303 31 31 ASP HA H 4.457 . 1 304 31 31 ASP HB2 H 2.589 . 2 305 31 31 ASP HB3 H 2.589 . 2 306 31 31 ASP C C 176.671 . 1 307 31 31 ASP CA C 56.523 . 1 308 31 31 ASP CB C 41.143 . 1 309 31 31 ASP N N 114.241 . 1 310 32 32 ILE H H 7.464 . 1 311 32 32 ILE HA H 4.107 . 1 312 32 32 ILE HB H 1.366 . 1 313 32 32 ILE HD1 H 0.348 . . 314 32 32 ILE HG12 H 1.652 . 2 315 32 32 ILE HG13 H -0.259 . 2 316 32 32 ILE HG2 H 0.628 . . 317 32 32 ILE C C 176.762 . 1 318 32 32 ILE CA C 60.704 . 1 319 32 32 ILE CB C 41.655 . 1 320 32 32 ILE CD1 C 14.443 . 1 321 32 32 ILE CG1 C 27.610 . 1 322 32 32 ILE CG2 C 17.197 . 1 323 32 32 ILE N N 124.418 . 1 324 33 33 THR H H 8.979 . 1 325 33 33 THR HA H 4.218 . 1 326 33 33 THR HB H 3.934 . 1 327 33 33 THR HG2 H 1.024 . . 328 33 33 THR C C 175.020 . 1 329 33 33 THR CA C 63.098 . 1 330 33 33 THR CB C 68.700 . 1 331 33 33 THR CG2 C 22.625 . 1 332 33 33 THR N N 121.505 . 1 333 34 34 ASP H H 7.493 . 1 334 34 34 ASP HA H 4.733 . 1 335 34 34 ASP HB2 H 2.699 . 2 336 34 34 ASP HB3 H 2.322 . 2 337 34 34 ASP C C 173.621 . 1 338 34 34 ASP CA C 55.141 . 1 339 34 34 ASP CB C 44.363 . 1 340 34 34 ASP N N 119.802 . 1 341 35 35 ILE H H 7.874 . 1 342 35 35 ILE HA H 4.637 . 1 343 35 35 ILE HB H 1.680 . 1 344 35 35 ILE HD1 H 0.905 . . 345 35 35 ILE HG12 H 1.676 . . 346 35 35 ILE HG13 H 1.676 . . 347 35 35 ILE HG2 H 0.668 . . 348 35 35 ILE C C 174.470 . 1 349 35 35 ILE CA C 61.418 . 1 350 35 35 ILE CB C 41.438 . 1 351 35 35 ILE CD1 C 13.612 . 1 352 35 35 ILE CG1 C 28.646 . 1 353 35 35 ILE CG2 C 17.078 . 1 354 35 35 ILE N N 123.048 . 1 355 36 36 GLN H H 8.970 . 1 356 36 36 GLN HA H 4.647 . 1 357 36 36 GLN HB2 H 2.150 . 2 358 36 36 GLN HB3 H 1.980 . 2 359 36 36 GLN HG2 H 2.314 . 2 360 36 36 GLN HG3 H 2.261 . 2 361 36 36 GLN C C 174.450 . 1 362 36 36 GLN CA C 54.153 . 1 363 36 36 GLN CB C 32.081 . 1 364 36 36 GLN CG C 33.171 . 1 365 36 36 GLN N N 126.092 . 1 366 37 37 ILE H H 8.715 . 1 367 37 37 ILE HA H 4.402 . 1 368 37 37 ILE HB H 1.716 . 1 369 37 37 ILE HD1 H 0.496 . . 370 37 37 ILE HG12 H 1.273 . 2 371 37 37 ILE HG13 H 0.518 . 2 372 37 37 ILE HG2 H 0.587 . . 373 37 37 ILE CA C 58.352 . 1 374 37 37 ILE CB C 38.654 . 1 375 37 37 ILE CD1 C 13.196 . 1 376 37 37 ILE CG1 C 26.641 . 1 377 37 37 ILE CG2 C 17.423 . 1 378 37 37 ILE N N 123.907 . 1 379 38 38 PRO HA H 4.258 . 1 380 38 38 PRO HB2 H 2.353 . 2 381 38 38 PRO HB3 H 1.596 . 2 382 38 38 PRO HD2 H 3.562 . 2 383 38 38 PRO HD3 H 3.163 . 2 384 38 38 PRO HG2 H 1.942 . 2 385 38 38 PRO HG3 H 1.942 . 2 386 38 38 PRO C C 175.992 . 1 387 38 38 PRO CA C 63.284 . 1 388 38 38 PRO CB C 32.277 . 1 389 38 38 PRO CD C 50.358 . 1 390 38 38 PRO CG C 27.865 . 1 391 39 39 LEU H H 8.245 . 1 392 39 39 LEU HA H 4.428 . 1 393 39 39 LEU HB2 H 1.383 . 2 394 39 39 LEU HB3 H 0.909 . 2 395 39 39 LEU HD1 H 0.750 . . 396 39 39 LEU HD2 H 0.578 . . 397 39 39 LEU HG H 1.598 . 1 398 39 39 LEU C C 177.489 . 1 399 39 39 LEU CA C 53.450 . 1 400 39 39 LEU CB C 44.088 . 1 401 39 39 LEU CD1 C 24.981 . 2 402 39 39 LEU CD2 C 22.747 . 2 403 39 39 LEU CG C 26.398 . 1 404 39 39 LEU N N 121.470 . 1 405 40 40 ASP H H 8.452 . 1 406 40 40 ASP HA H 4.574 . 1 407 40 40 ASP HB2 H 3.161 . 2 408 40 40 ASP HB3 H 2.345 . 2 409 40 40 ASP C C 177.154 . 1 410 40 40 ASP CA C 53.765 . 1 411 40 40 ASP CB C 42.279 . 1 412 40 40 ASP N N 122.183 . 1 413 41 41 TYR H H 8.475 . 1 414 41 41 TYR HA H 4.166 . 1 415 41 41 TYR HB2 H 3.068 . 2 416 41 41 TYR HB3 H 3.001 . 2 417 41 41 TYR HD1 H 7.155 . 3 418 41 41 TYR HD2 H 7.155 . 3 419 41 41 TYR HE1 H 6.860 . 3 420 41 41 TYR HE2 H 6.860 . 3 421 41 41 TYR C C 176.754 . 1 422 41 41 TYR CA C 60.635 . 1 423 41 41 TYR CB C 37.989 . 1 424 41 41 TYR CD1 C 133.038 . 3 425 41 41 TYR N N 125.482 . 1 426 42 42 GLU H H 8.531 . 1 427 42 42 GLU HA H 4.160 . 1 428 42 42 GLU HB2 H 2.110 . 2 429 42 42 GLU HB3 H 2.110 . 2 430 42 42 GLU HG2 H 2.202 . 2 431 42 42 GLU HG3 H 2.202 . 2 432 42 42 GLU C C 178.090 . 1 433 42 42 GLU CA C 58.613 . 1 434 42 42 GLU CB C 30.175 . 1 435 42 42 GLU CG C 36.846 . 1 436 42 42 GLU N N 117.755 . 1 437 43 43 THR H H 7.718 . 1 438 43 43 THR HA H 4.282 . 1 439 43 43 THR HB H 4.230 . 1 440 43 43 THR HG2 H 1.149 . . 441 43 43 THR C C 175.290 . 1 442 43 43 THR CA C 61.702 . 1 443 43 43 THR CB C 70.524 . 1 444 43 43 THR CG2 C 21.693 . 1 445 43 43 THR N N 107.362 . 1 446 44 44 GLU H H 8.297 . 1 447 44 44 GLU HA H 3.726 . 1 448 44 44 GLU HB2 H 2.204 . 2 449 44 44 GLU HB3 H 2.204 . 2 450 44 44 GLU HG2 H 2.093 . 2 451 44 44 GLU HG3 H 2.093 . 2 452 44 44 GLU C C 174.432 . 1 453 44 44 GLU CA C 58.177 . 1 454 44 44 GLU CB C 27.420 . 1 455 44 44 GLU CG C 37.285 . 1 456 44 44 GLU N N 116.190 . 1 457 45 45 LYS H H 7.669 . 1 458 45 45 LYS HA H 4.588 . 1 459 45 45 LYS HB2 H 1.768 . 2 460 45 45 LYS HB3 H 1.536 . 2 461 45 45 LYS HD2 H 1.550 . 2 462 45 45 LYS HD3 H 1.550 . 2 463 45 45 LYS HE2 H 2.918 . 2 464 45 45 LYS HE3 H 2.918 . 2 465 45 45 LYS HG2 H 1.331 . 2 466 45 45 LYS HG3 H 1.331 . 2 467 45 45 LYS C C 176.181 . 1 468 45 45 LYS CA C 54.498 . 1 469 45 45 LYS CB C 35.387 . 1 470 45 45 LYS CD C 29.030 . 1 471 45 45 LYS CE C 42.241 . 1 472 45 45 LYS CG C 24.706 . 1 473 45 45 LYS N N 117.703 . 1 474 46 46 HIS H H 8.032 . 1 475 46 46 HIS HA H 4.893 . 1 476 46 46 HIS HB2 H 3.455 . 2 477 46 46 HIS HB3 H 2.731 . 2 478 46 46 HIS HD2 H 7.091 . 1 479 46 46 HIS C C 175.857 . 1 480 46 46 HIS CA C 55.705 . 1 481 46 46 HIS CB C 31.061 . 1 482 46 46 HIS CD2 C 119.378 . 1 483 46 46 HIS N N 117.769 . 1 484 47 47 ARG H H 8.761 . 1 485 47 47 ARG HA H 4.498 . 1 486 47 47 ARG HB2 H 2.378 . 2 487 47 47 ARG HB3 H 1.594 . 2 488 47 47 ARG HD2 H 3.122 . 2 489 47 47 ARG HD3 H 3.122 . 2 490 47 47 ARG HG2 H 1.579 . 2 491 47 47 ARG HG3 H 1.579 . 2 492 47 47 ARG C C 177.960 . 1 493 47 47 ARG CA C 55.707 . 1 494 47 47 ARG CB C 31.359 . 1 495 47 47 ARG CD C 44.170 . 1 496 47 47 ARG CG C 27.675 . 1 497 47 47 ARG N N 118.910 . 1 498 48 48 GLY H H 10.884 . 1 499 48 48 GLY HA2 H 4.458 . 2 500 48 48 GLY HA3 H 3.914 . 2 501 48 48 GLY C C 173.106 . 1 502 48 48 GLY CA C 45.677 . 1 503 48 48 GLY N N 113.228 . 1 504 49 49 PHE H H 6.995 . 1 505 49 49 PHE HA H 5.555 . 1 506 49 49 PHE HB2 H 2.906 . 2 507 49 49 PHE HB3 H 2.541 . 2 508 49 49 PHE HD1 H 6.628 . 3 509 49 49 PHE HD2 H 6.628 . 3 510 49 49 PHE HE1 H 7.251 . 3 511 49 49 PHE HE2 H 7.251 . 3 512 49 49 PHE C C 171.627 . 1 513 49 49 PHE CA C 54.871 . 1 514 49 49 PHE CB C 42.074 . 1 515 49 49 PHE CD1 C 132.679 . 3 516 49 49 PHE CE1 C 139.018 . 3 517 49 49 PHE N N 114.999 . 1 518 50 50 ALA H H 8.660 . 1 519 50 50 ALA HA H 4.467 . 1 520 50 50 ALA HB H 0.839 . . 521 50 50 ALA C C 173.844 . 1 522 50 50 ALA CA C 49.876 . 1 523 50 50 ALA CB C 25.985 . 1 524 50 50 ALA N N 119.664 . 1 525 51 51 PHE H H 8.712 . 1 526 51 51 PHE HA H 5.876 . 1 527 51 51 PHE HB2 H 2.816 . 2 528 51 51 PHE HB3 H 2.658 . 2 529 51 51 PHE HD1 H 7.154 . 3 530 51 51 PHE HD2 H 7.154 . 3 531 51 51 PHE HE1 H 7.471 . 3 532 51 51 PHE HE2 H 7.471 . 3 533 51 51 PHE C C 175.817 . 1 534 51 51 PHE CA C 55.822 . 1 535 51 51 PHE CB C 41.720 . 1 536 51 51 PHE CD1 C 131.739 . 3 537 51 51 PHE CE1 C 131.646 . 3 538 51 51 PHE N N 114.448 . 1 539 52 52 VAL H H 8.709 . 1 540 52 52 VAL HA H 4.276 . 1 541 52 52 VAL HB H 1.377 . 1 542 52 52 VAL HG1 H 0.225 . . 543 52 52 VAL HG2 H 0.247 . . 544 52 52 VAL C C 172.966 . 1 545 52 52 VAL CA C 61.247 . 1 546 52 52 VAL CB C 34.881 . 1 547 52 52 VAL CG1 C 21.105 . 2 548 52 52 VAL CG2 C 20.316 . 2 549 52 52 VAL N N 122.739 . 1 550 53 53 GLU H H 9.015 . 1 551 53 53 GLU HA H 5.134 . 1 552 53 53 GLU HB2 H 2.039 . 2 553 53 53 GLU HB3 H 1.725 . 2 554 53 53 GLU HG2 H 2.014 . 2 555 53 53 GLU HG3 H 1.894 . 2 556 53 53 GLU C C 175.000 . 1 557 53 53 GLU CA C 54.417 . 1 558 53 53 GLU CB C 33.182 . 1 559 53 53 GLU CG C 36.830 . 1 560 53 53 GLU N N 129.414 . 1 561 54 54 PHE H H 8.621 . 1 562 54 54 PHE HA H 4.827 . 1 563 54 54 PHE HB2 H 3.716 . 2 564 54 54 PHE HB3 H 2.640 . 2 565 54 54 PHE HD1 H 7.165 . 3 566 54 54 PHE HD2 H 7.165 . 3 567 54 54 PHE HE1 H 7.185 . 3 568 54 54 PHE HE2 H 7.185 . 3 569 54 54 PHE C C 175.749 . 1 570 54 54 PHE CA C 58.152 . 1 571 54 54 PHE CB C 41.465 . 1 572 54 54 PHE N N 126.301 . 1 573 55 55 GLU H H 8.088 . 1 574 55 55 GLU HA H 3.930 . 1 575 55 55 GLU HB2 H 2.255 . 2 576 55 55 GLU HB3 H 1.985 . 2 577 55 55 GLU HG2 H 2.193 . 2 578 55 55 GLU HG3 H 2.193 . 2 579 55 55 GLU C C 176.527 . 1 580 55 55 GLU CA C 59.784 . 1 581 55 55 GLU CB C 29.951 . 1 582 55 55 GLU CG C 36.163 . 1 583 55 55 GLU N N 121.200 . 1 584 56 56 LEU H H 9.341 . 1 585 56 56 LEU HA H 4.829 . 1 586 56 56 LEU HB2 H 1.843 . 2 587 56 56 LEU HB3 H 1.596 . 2 588 56 56 LEU HD1 H 1.028 . . 589 56 56 LEU HD2 H 0.956 . . 590 56 56 LEU HG H 1.697 . 1 591 56 56 LEU C C 178.101 . 1 592 56 56 LEU CA C 52.983 . 1 593 56 56 LEU CB C 43.165 . 1 594 56 56 LEU CD1 C 25.154 . 2 595 56 56 LEU CD2 C 23.141 . 2 596 56 56 LEU CG C 26.825 . 1 597 56 56 LEU N N 116.287 . 1 598 57 57 ALA H H 8.968 . 1 599 57 57 ALA HA H 3.925 . 1 600 57 57 ALA HB H 1.389 . . 601 57 57 ALA C C 180.496 . 1 602 57 57 ALA CA C 55.245 . 1 603 57 57 ALA CB C 18.606 . 1 604 57 57 ALA N N 127.071 . 1 605 58 58 GLU H H 9.941 . 1 606 58 58 GLU HA H 4.066 . 1 607 58 58 GLU HB2 H 2.014 . 2 608 58 58 GLU HB3 H 2.014 . 2 609 58 58 GLU HG2 H 2.420 . 2 610 58 58 GLU HG3 H 2.335 . 2 611 58 58 GLU C C 178.449 . 1 612 58 58 GLU CA C 59.765 . 1 613 58 58 GLU CB C 28.521 . 1 614 58 58 GLU CG C 36.667 . 1 615 58 58 GLU N N 118.481 . 1 616 59 59 ASP H H 6.786 . 1 617 59 59 ASP HA H 4.420 . 1 618 59 59 ASP HB2 H 2.913 . 2 619 59 59 ASP HB3 H 2.587 . 2 620 59 59 ASP C C 176.720 . 1 621 59 59 ASP CA C 56.515 . 1 622 59 59 ASP CB C 39.943 . 1 623 59 59 ASP N N 124.040 . 1 624 60 60 ALA H H 6.963 . 1 625 60 60 ALA HA H 3.121 . 1 626 60 60 ALA HB H 1.350 . . 627 60 60 ALA C C 178.759 . 1 628 60 60 ALA CA C 54.523 . 1 629 60 60 ALA CB C 17.382 . 1 630 60 60 ALA N N 121.523 . 1 631 61 61 ALA H H 7.747 . 1 632 61 61 ALA HA H 3.870 . 1 633 61 61 ALA HB H 1.414 . . 634 61 61 ALA C C 179.892 . 1 635 61 61 ALA CA C 54.995 . 1 636 61 61 ALA CB C 17.826 . 1 637 61 61 ALA N N 117.499 . 1 638 62 62 ALA H H 7.309 . 1 639 62 62 ALA HA H 4.103 . 1 640 62 62 ALA HB H 1.630 . . 641 62 62 ALA C C 180.255 . 1 642 62 62 ALA CA C 54.766 . 1 643 62 62 ALA CB C 18.167 . 1 644 62 62 ALA N N 121.261 . 1 645 63 63 ALA H H 7.831 . 1 646 63 63 ALA HA H 2.388 . 1 647 63 63 ALA HB H 1.159 . . 648 63 63 ALA C C 179.636 . 1 649 63 63 ALA CA C 54.655 . 1 650 63 63 ALA CB C 19.082 . 1 651 63 63 ALA N N 121.947 . 1 652 64 64 ILE H H 7.815 . 1 653 64 64 ILE HA H 3.214 . 1 654 64 64 ILE HB H 1.827 . 1 655 64 64 ILE HD1 H 0.785 . . 656 64 64 ILE HG12 H 1.841 . 2 657 64 64 ILE HG13 H 0.523 . 2 658 64 64 ILE HG2 H 0.918 . . 659 64 64 ILE C C 177.913 . 1 660 64 64 ILE CA C 66.597 . 1 661 64 64 ILE CB C 38.433 . 1 662 64 64 ILE CD1 C 14.204 . 1 663 64 64 ILE CG1 C 30.298 . 1 664 64 64 ILE CG2 C 17.377 . 1 665 64 64 ILE N N 118.528 . 1 666 65 65 ASP H H 7.414 . 1 667 65 65 ASP HA H 4.278 . 1 668 65 65 ASP HB2 H 2.608 . 2 669 65 65 ASP HB3 H 2.608 . 2 670 65 65 ASP C C 177.932 . 1 671 65 65 ASP CA C 57.122 . 1 672 65 65 ASP CB C 40.863 . 1 673 65 65 ASP N N 116.586 . 1 674 66 66 ASN H H 7.387 . 1 675 66 66 ASN HA H 4.609 . 1 676 66 66 ASN HB2 H 2.552 . 2 677 66 66 ASN HB3 H 2.347 . 2 678 66 66 ASN C C 176.013 . 1 679 66 66 ASN CA C 55.455 . 1 680 66 66 ASN CB C 42.359 . 1 681 66 66 ASN N N 112.689 . 1 682 67 67 MET H H 8.230 . 1 683 67 67 MET HA H 4.855 . 1 684 67 67 MET HB2 H 2.079 . 2 685 67 67 MET HB3 H 1.702 . 2 686 67 67 MET HG2 H 2.006 . 2 687 67 67 MET HG3 H 1.793 . 2 688 67 67 MET C C 179.121 . 1 689 67 67 MET CA C 53.804 . 1 690 67 67 MET CB C 32.956 . 1 691 67 67 MET CG C 33.485 . 1 692 67 67 MET N N 113.548 . 1 693 68 68 ASN H H 8.188 . 1 694 68 68 ASN HA H 4.369 . 1 695 68 68 ASN HB2 H 3.224 . 2 696 68 68 ASN HB3 H 2.974 . 2 697 68 68 ASN C C 175.255 . 1 698 68 68 ASN CA C 56.928 . 1 699 68 68 ASN CB C 38.727 . 1 700 68 68 ASN N N 119.504 . 1 701 69 69 GLU H H 8.623 . 1 702 69 69 GLU HA H 3.939 . 1 703 69 69 GLU HB2 H 2.290 . 2 704 69 69 GLU HB3 H 2.189 . 2 705 69 69 GLU HG2 H 2.262 . 2 706 69 69 GLU HG3 H 2.122 . 2 707 69 69 GLU C C 174.961 . 1 708 69 69 GLU CA C 58.934 . 1 709 69 69 GLU CB C 26.626 . 1 710 69 69 GLU CG C 37.199 . 1 711 69 69 GLU N N 121.496 . 1 712 70 70 SER H H 7.656 . 1 713 70 70 SER HA H 4.600 . 1 714 70 70 SER HB2 H 4.065 . 2 715 70 70 SER HB3 H 3.834 . 2 716 70 70 SER C C 171.842 . 1 717 70 70 SER CA C 58.025 . 1 718 70 70 SER CB C 65.048 . 1 719 70 70 SER N N 115.058 . 1 720 71 71 GLU H H 8.291 . 1 721 71 71 GLU HA H 4.965 . 1 722 71 71 GLU HB2 H 1.810 . 2 723 71 71 GLU HB3 H 1.810 . 2 724 71 71 GLU HG2 H 2.062 . 2 725 71 71 GLU HG3 H 1.888 . 2 726 71 71 GLU C C 176.961 . 1 727 71 71 GLU CA C 55.293 . 1 728 71 71 GLU CB C 31.950 . 1 729 71 71 GLU CG C 36.744 . 1 730 71 71 GLU N N 117.692 . 1 731 72 72 LEU H H 9.021 . 1 732 72 72 LEU HA H 4.575 . 1 733 72 72 LEU HB2 H 1.743 . 2 734 72 72 LEU HB3 H 1.357 . 2 735 72 72 LEU HD1 H 0.710 . . 736 72 72 LEU HD2 H 0.832 . . 737 72 72 LEU HG H 1.366 . 1 738 72 72 LEU C C 176.067 . 1 739 72 72 LEU CA C 54.666 . 1 740 72 72 LEU CB C 44.919 . 1 741 72 72 LEU CD1 C 25.181 . 2 742 72 72 LEU CD2 C 23.589 . 2 743 72 72 LEU CG C 27.380 . 1 744 72 72 LEU N N 126.712 . 1 745 73 73 PHE H H 9.797 . 1 746 73 73 PHE HA H 3.934 . 1 747 73 73 PHE HB2 H 3.484 . 2 748 73 73 PHE HB3 H 2.719 . 2 749 73 73 PHE HD1 H 7.107 . 3 750 73 73 PHE HD2 H 7.107 . 3 751 73 73 PHE HE1 H 7.280 . 3 752 73 73 PHE HE2 H 7.280 . 3 753 73 73 PHE C C 175.637 . 1 754 73 73 PHE CA C 59.385 . 1 755 73 73 PHE CB C 37.165 . 1 756 73 73 PHE CD1 C 131.392 . 3 757 73 73 PHE N N 128.784 . 1 758 74 74 GLY H H 8.669 . 1 759 74 74 GLY HA2 H 4.056 . 2 760 74 74 GLY HA3 H 3.642 . 2 761 74 74 GLY C C 173.780 . 1 762 74 74 GLY CA C 45.814 . 1 763 74 74 GLY N N 103.926 . 1 764 75 75 ARG H H 7.558 . 1 765 75 75 ARG HA H 4.785 . 1 766 75 75 ARG HB2 H 2.049 . 2 767 75 75 ARG HB3 H 1.830 . 2 768 75 75 ARG HD2 H 3.174 . 2 769 75 75 ARG HD3 H 3.174 . 2 770 75 75 ARG HG2 H 1.704 . 2 771 75 75 ARG HG3 H 1.704 . 2 772 75 75 ARG C C 174.686 . 1 773 75 75 ARG CA C 53.665 . 1 774 75 75 ARG CB C 33.133 . 1 775 75 75 ARG CD C 43.033 . 1 776 75 75 ARG CG C 26.656 . 1 777 75 75 ARG N N 119.085 . 1 778 76 76 THR H H 8.404 . 1 779 76 76 THR HA H 4.592 . 1 780 76 76 THR HB H 3.880 . 1 781 76 76 THR HG2 H 1.088 . . 782 76 76 THR C C 175.060 . 1 783 76 76 THR CA C 63.008 . 1 784 76 76 THR CB C 69.431 . 1 785 76 76 THR CG2 C 22.111 . 1 786 76 76 THR N N 119.131 . 1 787 77 77 ILE H H 8.797 . 1 788 77 77 ILE HA H 5.125 . 1 789 77 77 ILE HB H 1.909 . 1 790 77 77 ILE HD1 H 0.647 . . 791 77 77 ILE HG12 H 1.492 . 2 792 77 77 ILE HG13 H 1.204 . 2 793 77 77 ILE HG2 H 0.827 . . 794 77 77 ILE C C 175.300 . 1 795 77 77 ILE CA C 59.971 . 1 796 77 77 ILE CB C 40.580 . 1 797 77 77 ILE CD1 C 14.259 . 1 798 77 77 ILE CG1 C 24.814 . 1 799 77 77 ILE CG2 C 19.061 . 1 800 77 77 ILE N N 121.568 . 1 801 78 78 ARG H H 8.176 . 1 802 78 78 ARG HA H 4.982 . 1 803 78 78 ARG HD2 H 3.253 . 2 804 78 78 ARG HD3 H 3.253 . 2 805 78 78 ARG C C 174.970 . 1 806 78 78 ARG CA C 53.574 . 1 807 78 78 ARG CB C 32.372 . 1 808 78 78 ARG CD C 43.068 . 1 809 78 78 ARG CG C 27.188 . 1 810 78 78 ARG N N 121.628 . 1 811 79 79 VAL H H 8.963 . 1 812 79 79 VAL HA H 5.397 . 1 813 79 79 VAL HB H 1.794 . 1 814 79 79 VAL HG1 H 0.987 . . 815 79 79 VAL HG2 H 1.012 . . 816 79 79 VAL C C 174.121 . 1 817 79 79 VAL CA C 60.390 . 1 818 79 79 VAL CB C 35.241 . 1 819 79 79 VAL CG1 C 24.473 . 2 820 79 79 VAL CG2 C 22.458 . 2 821 79 79 VAL N N 122.947 . 1 822 80 80 ASN H H 8.922 . 1 823 80 80 ASN HA H 4.815 . 1 824 80 80 ASN HB2 H 2.869 . 2 825 80 80 ASN HB3 H 2.745 . 2 826 80 80 ASN C C 173.446 . 1 827 80 80 ASN CA C 51.918 . 1 828 80 80 ASN CB C 42.397 . 1 829 80 80 ASN N N 120.579 . 1 830 81 81 LEU H H 8.890 . 1 831 81 81 LEU HA H 4.459 . 1 832 81 81 LEU C C 177.394 . 1 833 81 81 LEU CA C 56.197 . 1 834 81 81 LEU CB C 42.338 . 1 835 81 81 LEU N N 121.725 . 1 836 82 82 ALA H H 8.949 . 1 837 82 82 ALA HA H 4.350 . 1 838 82 82 ALA HB H 1.457 . . 839 82 82 ALA CA C 52.932 . 1 840 82 82 ALA CB C 19.741 . 1 841 82 82 ALA N N 127.802 . 1 842 83 83 LYS H H 7.944 . 1 843 83 83 LYS N N 124.461 . 1 stop_ save_