data_11269 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Solution Structure of the N-terminal CUE Domain in the Human Mitogen-activated Protein Kinase Kinase Kinase 7 Interacting Protein 2 (MAP3K7IP2) ; _BMRB_accession_number 11269 _BMRB_flat_file_name bmr11269.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 Sato M. . . 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" 377 "13C chemical shifts" 284 "15N chemical shifts" 74 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 N-terminal CUE Domain in the Human Mitogen-activated Protein Kinase Kinase Kinase 7 Interacting Protein 2 (MAP3K7IP2) ; _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 Sato M. . . 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 'KIAA0733 protein' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label 'CUE 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 'CUE domain' _Molecular_mass . _Mol_thiol_state 'all free' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 75 _Mol_residue_sequence ; GSSGSSGQIDFQVLHDLRQK FPEVPEVVVSRCMLQNNNNL DACCAVLSQESTRYLYGEGD LNFSDDSGISGPSSG ; loop_ _Residue_seq_code _Residue_label 1 GLY 2 SER 3 SER 4 GLY 5 SER 6 SER 7 GLY 8 GLN 9 ILE 10 ASP 11 PHE 12 GLN 13 VAL 14 LEU 15 HIS 16 ASP 17 LEU 18 ARG 19 GLN 20 LYS 21 PHE 22 PRO 23 GLU 24 VAL 25 PRO 26 GLU 27 VAL 28 VAL 29 VAL 30 SER 31 ARG 32 CYS 33 MET 34 LEU 35 GLN 36 ASN 37 ASN 38 ASN 39 ASN 40 LEU 41 ASP 42 ALA 43 CYS 44 CYS 45 ALA 46 VAL 47 LEU 48 SER 49 GLN 50 GLU 51 SER 52 THR 53 ARG 54 TYR 55 LEU 56 TYR 57 GLY 58 GLU 59 GLY 60 ASP 61 LEU 62 ASN 63 PHE 64 SER 65 ASP 66 ASP 67 SER 68 GLY 69 ILE 70 SER 71 GLY 72 PRO 73 SER 74 SER 75 GLY stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2015-01-31 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 2DAE "Solution Structure Of The N-Terminal Cue Domain In The Human Mitogen-Activated Protein Kinase Kinase Kinase 7 Interacting Prote" 100.00 75 100.00 100.00 5.35e-46 DBJ BAA34453 "KIAA0733 protein [Homo sapiens]" 88.00 698 98.48 98.48 6.33e-37 DBJ BAC41446 "mKIAA0733 protein [Mus musculus]" 82.67 685 98.39 100.00 9.48e-35 DBJ BAE28166 "unnamed protein product [Mus musculus]" 88.00 595 96.97 98.48 2.64e-37 DBJ BAG09824 "mitogen-activated protein kinase kinase kinase 7-interacting protein 2 [synthetic construct]" 88.00 693 98.48 98.48 5.89e-37 DBJ BAG37521 "unnamed protein product [Homo sapiens]" 88.00 536 98.48 98.48 7.94e-38 EMBL CAB55907 "hypothetical protein [Homo sapiens]" 88.00 536 98.48 98.48 7.94e-38 EMBL CAG33668 "MAP3K7IP2 [Homo sapiens]" 88.00 536 98.48 98.48 8.02e-38 GB AAF67176 "TAK1-binding protein 2 [Homo sapiens]" 88.00 693 98.48 98.48 5.89e-37 GB AAH04813 "Mitogen-activated protein kinase kinase kinase 7 interacting protein 2 [Mus musculus]" 88.00 693 96.97 98.48 1.88e-36 GB AAH35910 "Mitogen-activated protein kinase kinase kinase 7 interacting protein 2 [Homo sapiens]" 88.00 693 98.48 98.48 5.89e-37 GB AAH85788 "Mitogen-activated protein kinase kinase kinase 7 interacting protein 2 [Rattus norvegicus]" 88.00 627 96.97 98.48 5.75e-37 GB AAM10487 "TAB2 [Mus musculus]" 88.00 693 96.97 98.48 1.88e-36 REF NP_001012062 "TGF-beta-activated kinase 1 and MAP3K7-binding protein 2 [Rattus norvegicus]" 88.00 627 96.97 98.48 5.75e-37 REF NP_001179301 "TGF-beta-activated kinase 1 and MAP3K7-binding protein 2 [Bos taurus]" 88.00 693 98.48 98.48 5.01e-37 REF NP_001244719 "TGF-beta-activated kinase 1 and MAP3K7-binding protein 2 [Macaca mulatta]" 88.00 693 98.48 98.48 5.89e-37 REF NP_001278963 "TGF-beta-activated kinase 1 and MAP3K7-binding protein 2 isoform a [Homo sapiens]" 88.00 693 98.48 98.48 5.89e-37 REF NP_001278964 "TGF-beta-activated kinase 1 and MAP3K7-binding protein 2 isoform b [Homo sapiens]" 50.67 661 97.37 100.00 4.66e-16 SP Q5U303 "RecName: Full=TGF-beta-activated kinase 1 and MAP3K7-binding protein 2; AltName: Full=Mitogen-activated protein kinase kinase k" 88.00 693 96.97 98.48 1.56e-36 SP Q99K90 "RecName: Full=TGF-beta-activated kinase 1 and MAP3K7-binding protein 2; AltName: Full=Mitogen-activated protein kinase kinase k" 88.00 693 96.97 98.48 1.88e-36 SP Q9NYJ8 "RecName: Full=TGF-beta-activated kinase 1 and MAP3K7-binding protein 2; AltName: Full=Mitogen-activated protein kinase kinase k" 88.00 693 98.48 98.48 5.89e-37 TPG DAA26041 "TPA: mitogen-activated protein kinase kinase kinase 7 interacting protein 2 [Bos taurus]" 88.00 693 98.48 98.48 5.01e-37 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 P050725-14 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Saveframe_category sample _Sample_type solution _Details ; 1.30mM CUE domain U-15N, {13C;} 20mM d-Tris-HCl(pH {7.0);} 100mM {NaCl;} 1mM {d-DTT;} 0.02% {NaN3;} 90% H2O, 10%D2O ; loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $entity_1 1.30 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 20030801 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 0.9321 loop_ _Vendor _Address _Electronic_address 'Kobayashi, N.' . . stop_ loop_ _Task 'data analysis' stop_ _Details . save_ save_CYANA _Saveframe_category software _Name CYANA _Version 1.0.8 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 700 _Details . save_ ############################# # NMR applied experiments # ############################# save_3D_15N-separated_NOESY_1 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 15N-separated NOESY' _Sample_label $sample_1 save_ save_3D_13C-separated_NOESY_2 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 13C-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 15N-separated NOESY' '3D 13C-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 'CUE 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 7 7 GLY HA2 H 3.941 0.030 1 2 7 7 GLY HA3 H 3.941 0.030 1 3 7 7 GLY C C 173.616 0.300 1 4 7 7 GLY CA C 45.416 0.300 1 5 8 8 GLN H H 8.091 0.030 1 6 8 8 GLN HA H 4.396 0.030 1 7 8 8 GLN HB2 H 1.935 0.030 2 8 8 8 GLN HB3 H 2.064 0.030 2 9 8 8 GLN HE21 H 7.558 0.030 2 10 8 8 GLN HE22 H 6.878 0.030 2 11 8 8 GLN HG2 H 2.313 0.030 1 12 8 8 GLN HG3 H 2.313 0.030 1 13 8 8 GLN C C 175.602 0.300 1 14 8 8 GLN CA C 55.338 0.300 1 15 8 8 GLN CB C 29.956 0.300 1 16 8 8 GLN CG C 33.821 0.300 1 17 8 8 GLN N N 119.217 0.300 1 18 8 8 GLN NE2 N 112.680 0.300 1 19 9 9 ILE H H 8.157 0.030 1 20 9 9 ILE HA H 4.089 0.030 1 21 9 9 ILE HB H 1.619 0.030 1 22 9 9 ILE HD1 H 0.804 0.030 1 23 9 9 ILE HG12 H 1.114 0.030 2 24 9 9 ILE HG13 H 1.363 0.030 2 25 9 9 ILE HG2 H 0.503 0.030 1 26 9 9 ILE C C 174.948 0.300 1 27 9 9 ILE CA C 60.264 0.300 1 28 9 9 ILE CB C 39.248 0.300 1 29 9 9 ILE CD1 C 12.930 0.300 1 30 9 9 ILE CG1 C 27.371 0.300 1 31 9 9 ILE CG2 C 17.473 0.300 1 32 9 9 ILE N N 122.868 0.300 1 33 10 10 ASP H H 7.087 0.030 1 34 10 10 ASP HA H 4.618 0.030 1 35 10 10 ASP HB2 H 2.423 0.030 2 36 10 10 ASP HB3 H 2.659 0.030 2 37 10 10 ASP C C 176.256 0.300 1 38 10 10 ASP CA C 53.121 0.300 1 39 10 10 ASP CB C 41.448 0.300 1 40 10 10 ASP N N 124.099 0.300 1 41 11 11 PHE H H 8.601 0.030 1 42 11 11 PHE HA H 4.113 0.030 1 43 11 11 PHE HB2 H 3.057 0.030 2 44 11 11 PHE HB3 H 3.147 0.030 2 45 11 11 PHE HD1 H 7.293 0.030 1 46 11 11 PHE HD2 H 7.293 0.030 1 47 11 11 PHE HE1 H 7.370 0.030 1 48 11 11 PHE HE2 H 7.370 0.030 1 49 11 11 PHE C C 177.710 0.300 1 50 11 11 PHE CA C 61.706 0.300 1 51 11 11 PHE CB C 38.767 0.300 1 52 11 11 PHE CD1 C 131.552 0.300 1 53 11 11 PHE CD2 C 131.552 0.300 1 54 11 11 PHE CE1 C 131.568 0.300 1 55 11 11 PHE CE2 C 131.568 0.300 1 56 11 11 PHE N N 125.557 0.300 1 57 12 12 GLN H H 8.312 0.030 1 58 12 12 GLN HA H 4.100 0.030 1 59 12 12 GLN HB2 H 2.227 0.030 1 60 12 12 GLN HB3 H 2.227 0.030 1 61 12 12 GLN HE21 H 6.824 0.030 2 62 12 12 GLN HE22 H 7.791 0.030 2 63 12 12 GLN HG2 H 2.399 0.030 1 64 12 12 GLN HG3 H 2.399 0.030 1 65 12 12 GLN C C 178.025 0.300 1 66 12 12 GLN CA C 58.892 0.300 1 67 12 12 GLN CB C 28.229 0.300 1 68 12 12 GLN CG C 34.150 0.300 1 69 12 12 GLN N N 121.261 0.300 1 70 12 12 GLN NE2 N 114.428 0.300 1 71 13 13 VAL H H 7.687 0.030 1 72 13 13 VAL HA H 3.725 0.030 1 73 13 13 VAL HB H 2.004 0.030 1 74 13 13 VAL HG1 H 0.924 0.030 1 75 13 13 VAL HG2 H 1.139 0.030 1 76 13 13 VAL C C 177.468 0.300 1 77 13 13 VAL CA C 66.668 0.300 1 78 13 13 VAL CB C 32.094 0.300 1 79 13 13 VAL CG1 C 20.909 0.300 2 80 13 13 VAL CG2 C 22.903 0.300 2 81 13 13 VAL N N 121.815 0.300 1 82 14 14 LEU H H 8.004 0.030 1 83 14 14 LEU HA H 4.135 0.030 1 84 14 14 LEU HB2 H 1.260 0.030 2 85 14 14 LEU HB3 H 1.869 0.030 2 86 14 14 LEU HD1 H 0.898 0.030 1 87 14 14 LEU HD2 H 0.900 0.030 1 88 14 14 LEU HG H 1.494 0.030 1 89 14 14 LEU C C 177.759 0.300 1 90 14 14 LEU CA C 58.821 0.300 1 91 14 14 LEU CB C 41.797 0.300 1 92 14 14 LEU CD1 C 23.573 0.300 2 93 14 14 LEU CD2 C 26.255 0.300 2 94 14 14 LEU CG C 27.078 0.300 1 95 14 14 LEU N N 120.084 0.300 1 96 15 15 HIS H H 7.854 0.030 1 97 15 15 HIS HA H 4.125 0.030 1 98 15 15 HIS HB2 H 3.208 0.030 2 99 15 15 HIS HB3 H 3.333 0.030 2 100 15 15 HIS HD2 H 7.141 0.030 1 101 15 15 HIS HE1 H 7.983 0.030 1 102 15 15 HIS C C 177.880 0.300 1 103 15 15 HIS CA C 59.806 0.300 1 104 15 15 HIS CB C 29.462 0.300 1 105 15 15 HIS CD2 C 120.761 0.300 1 106 15 15 HIS CE1 C 137.801 0.300 1 107 15 15 HIS N N 116.709 0.300 1 108 16 16 ASP H H 8.212 0.030 1 109 16 16 ASP HA H 4.324 0.030 1 110 16 16 ASP HB2 H 2.625 0.030 2 111 16 16 ASP HB3 H 2.830 0.030 2 112 16 16 ASP C C 179.697 0.300 1 113 16 16 ASP CA C 57.555 0.300 1 114 16 16 ASP CB C 40.564 0.300 1 115 16 16 ASP N N 120.522 0.300 1 116 17 17 LEU H H 8.823 0.030 1 117 17 17 LEU HA H 4.128 0.030 1 118 17 17 LEU HB2 H 1.254 0.030 2 119 17 17 LEU HB3 H 2.063 0.030 2 120 17 17 LEU HD1 H 0.853 0.030 1 121 17 17 LEU HD2 H 0.995 0.030 1 122 17 17 LEU HG H 1.900 0.030 1 123 17 17 LEU C C 179.261 0.300 1 124 17 17 LEU CA C 58.012 0.300 1 125 17 17 LEU CB C 43.113 0.300 1 126 17 17 LEU CD1 C 27.371 0.300 2 127 17 17 LEU CD2 C 25.137 0.300 2 128 17 17 LEU CG C 26.701 0.300 1 129 17 17 LEU N N 120.684 0.300 1 130 18 18 ARG H H 8.638 0.030 1 131 18 18 ARG HA H 3.964 0.030 1 132 18 18 ARG HB2 H 1.783 0.030 2 133 18 18 ARG HB3 H 1.925 0.030 2 134 18 18 ARG HD2 H 3.086 0.030 2 135 18 18 ARG HD3 H 3.226 0.030 2 136 18 18 ARG HG2 H 1.588 0.030 2 137 18 18 ARG HG3 H 2.030 0.030 2 138 18 18 ARG C C 178.679 0.300 1 139 18 18 ARG CA C 59.138 0.300 1 140 18 18 ARG CB C 28.935 0.300 1 141 18 18 ARG CD C 43.135 0.300 1 142 18 18 ARG CG C 27.818 0.300 1 143 18 18 ARG N N 118.056 0.300 1 144 19 19 GLN H H 7.454 0.030 1 145 19 19 GLN HA H 3.953 0.030 1 146 19 19 GLN HB2 H 2.029 0.030 1 147 19 19 GLN HB3 H 2.029 0.030 1 148 19 19 GLN HE21 H 7.200 0.030 2 149 19 19 GLN HE22 H 6.824 0.030 2 150 19 19 GLN HG2 H 2.292 0.030 2 151 19 19 GLN HG3 H 2.209 0.030 2 152 19 19 GLN C C 177.904 0.300 1 153 19 19 GLN CA C 57.625 0.300 1 154 19 19 GLN CB C 28.804 0.300 1 155 19 19 GLN CG C 33.821 0.300 1 156 19 19 GLN N N 115.368 0.300 1 157 19 19 GLN NE2 N 112.515 0.300 1 158 20 20 LYS H H 7.383 0.030 1 159 20 20 LYS HA H 3.816 0.030 1 160 20 20 LYS HB2 H 1.214 0.030 2 161 20 20 LYS HB3 H 1.584 0.030 2 162 20 20 LYS HD2 H 1.442 0.030 2 163 20 20 LYS HD3 H 1.552 0.030 2 164 20 20 LYS HE2 H 2.904 0.030 2 165 20 20 LYS HE3 H 2.874 0.030 2 166 20 20 LYS HG2 H 0.897 0.030 2 167 20 20 LYS HG3 H 1.303 0.030 2 168 20 20 LYS C C 176.281 0.300 1 169 20 20 LYS CA C 58.293 0.300 1 170 20 20 LYS CB C 34.410 0.300 1 171 20 20 LYS CD C 29.539 0.300 1 172 20 20 LYS CE C 41.962 0.300 1 173 20 20 LYS CG C 25.407 0.300 1 174 20 20 LYS N N 118.984 0.300 1 175 21 21 PHE H H 7.943 0.030 1 176 21 21 PHE HA H 5.039 0.030 1 177 21 21 PHE HB2 H 2.814 0.030 2 178 21 21 PHE HB3 H 3.019 0.030 2 179 21 21 PHE HD1 H 7.333 0.030 1 180 21 21 PHE HD2 H 7.333 0.030 1 181 21 21 PHE HE1 H 7.262 0.030 1 182 21 21 PHE HE2 H 7.262 0.030 1 183 21 21 PHE C C 173.761 0.300 1 184 21 21 PHE CA C 55.183 0.300 1 185 21 21 PHE CB C 38.261 0.300 1 186 21 21 PHE CD1 C 133.185 0.300 1 187 21 21 PHE CD2 C 133.185 0.300 1 188 21 21 PHE CE1 C 130.714 0.300 1 189 21 21 PHE CE2 C 130.714 0.300 1 190 21 21 PHE N N 115.980 0.300 1 191 22 22 PRO HA H 4.527 0.030 1 192 22 22 PRO HB2 H 1.977 0.030 2 193 22 22 PRO HB3 H 2.300 0.030 2 194 22 22 PRO HD2 H 3.234 0.030 2 195 22 22 PRO HD3 H 3.570 0.030 2 196 22 22 PRO HG2 H 1.979 0.030 2 197 22 22 PRO HG3 H 1.925 0.030 2 198 22 22 PRO C C 178.074 0.300 1 199 22 22 PRO CA C 65.119 0.300 1 200 22 22 PRO CB C 32.094 0.300 1 201 22 22 PRO CD C 50.267 0.300 1 202 22 22 PRO CG C 27.371 0.300 1 203 23 23 GLU H H 9.223 0.030 1 204 23 23 GLU HA H 4.332 0.030 1 205 23 23 GLU HB2 H 1.975 0.030 2 206 23 23 GLU HB3 H 2.202 0.030 2 207 23 23 GLU HG2 H 2.239 0.030 2 208 23 23 GLU HG3 H 2.335 0.030 2 209 23 23 GLU C C 176.571 0.300 1 210 23 23 GLU CA C 56.534 0.300 1 211 23 23 GLU CB C 29.159 0.300 1 212 23 23 GLU CG C 36.288 0.300 1 213 23 23 GLU N N 117.258 0.300 1 214 24 24 VAL H H 7.469 0.030 1 215 24 24 VAL HA H 4.086 0.030 1 216 24 24 VAL HB H 1.975 0.030 1 217 24 24 VAL HG1 H 0.909 0.030 1 218 24 24 VAL HG2 H 0.950 0.030 1 219 24 24 VAL C C 173.931 0.300 1 220 24 24 VAL CA C 60.123 0.300 1 221 24 24 VAL CB C 32.258 0.300 1 222 24 24 VAL CG1 C 21.785 0.300 2 223 24 24 VAL CG2 C 22.913 0.300 2 224 24 24 VAL N N 122.725 0.300 1 225 25 25 PRO HA H 4.336 0.030 1 226 25 25 PRO HB2 H 1.731 0.030 2 227 25 25 PRO HB3 H 2.535 0.030 2 228 25 25 PRO HD2 H 3.199 0.030 2 229 25 25 PRO HD3 H 3.852 0.030 2 230 25 25 PRO HG2 H 2.031 0.030 1 231 25 25 PRO HG3 H 2.031 0.030 1 232 25 25 PRO C C 177.565 0.300 1 233 25 25 PRO CA C 63.325 0.300 1 234 25 25 PRO CB C 32.957 0.300 1 235 25 25 PRO CD C 51.254 0.300 1 236 25 25 PRO CG C 27.818 0.300 1 237 26 26 GLU H H 9.108 0.030 1 238 26 26 GLU HA H 3.645 0.030 1 239 26 26 GLU HB2 H 2.096 0.030 2 240 26 26 GLU HB3 H 2.052 0.030 2 241 26 26 GLU HG2 H 2.177 0.030 1 242 26 26 GLU HG3 H 2.177 0.030 1 243 26 26 GLU C C 178.098 0.300 1 244 26 26 GLU CA C 61.143 0.300 1 245 26 26 GLU CB C 29.606 0.300 1 246 26 26 GLU CG C 36.781 0.300 1 247 26 26 GLU N N 125.953 0.300 1 248 27 27 VAL H H 8.572 0.030 1 249 27 27 VAL HA H 4.016 0.030 1 250 27 27 VAL HB H 2.111 0.030 1 251 27 27 VAL HG1 H 1.005 0.030 1 252 27 27 VAL HG2 H 0.970 0.030 1 253 27 27 VAL C C 177.322 0.300 1 254 27 27 VAL CA C 65.014 0.300 1 255 27 27 VAL CB C 31.393 0.300 1 256 27 27 VAL CG1 C 21.338 0.300 2 257 27 27 VAL CG2 C 20.892 0.300 2 258 27 27 VAL N N 115.637 0.300 1 259 28 28 VAL H H 6.997 0.030 1 260 28 28 VAL HA H 3.581 0.030 1 261 28 28 VAL HB H 2.099 0.030 1 262 28 28 VAL HG1 H 0.741 0.030 1 263 28 28 VAL HG2 H 0.945 0.030 1 264 28 28 VAL C C 178.243 0.300 1 265 28 28 VAL CA C 65.727 0.300 1 266 28 28 VAL CB C 31.436 0.300 1 267 28 28 VAL CG1 C 20.992 0.300 2 268 28 28 VAL CG2 C 22.679 0.300 2 269 28 28 VAL N N 121.992 0.300 1 270 29 29 VAL H H 7.626 0.030 1 271 29 29 VAL HA H 3.280 0.030 1 272 29 29 VAL HB H 2.065 0.030 1 273 29 29 VAL HG1 H 0.877 0.030 1 274 29 29 VAL HG2 H 0.900 0.030 1 275 29 29 VAL C C 177.928 0.300 1 276 29 29 VAL CA C 67.582 0.300 1 277 29 29 VAL CB C 31.617 0.300 1 278 29 29 VAL CG1 C 24.031 0.300 2 279 29 29 VAL CG2 C 22.683 0.300 2 280 29 29 VAL N N 120.682 0.300 1 281 30 30 SER H H 8.722 0.030 1 282 30 30 SER HA H 4.173 0.030 1 283 30 30 SER HB2 H 3.810 0.030 2 284 30 30 SER HB3 H 3.908 0.030 2 285 30 30 SER C C 176.256 0.300 1 286 30 30 SER CA C 62.236 0.300 1 287 30 30 SER CB C 62.520 0.300 1 288 30 30 SER N N 114.640 0.300 1 289 31 31 ARG H H 7.681 0.030 1 290 31 31 ARG HA H 3.998 0.030 1 291 31 31 ARG HB2 H 1.882 0.030 2 292 31 31 ARG HB3 H 1.923 0.030 2 293 31 31 ARG HD2 H 3.136 0.030 1 294 31 31 ARG HD3 H 3.136 0.030 1 295 31 31 ARG HG2 H 1.587 0.030 2 296 31 31 ARG HG3 H 1.800 0.030 2 297 31 31 ARG C C 178.146 0.300 1 298 31 31 ARG CA C 59.736 0.300 1 299 31 31 ARG CB C 29.956 0.300 1 300 31 31 ARG CD C 43.682 0.300 1 301 31 31 ARG CG C 27.371 0.300 1 302 31 31 ARG N N 121.991 0.300 1 303 32 32 CYS H H 8.001 0.030 1 304 32 32 CYS HA H 4.010 0.030 1 305 32 32 CYS HB2 H 2.975 0.030 2 306 32 32 CYS HB3 H 3.039 0.030 2 307 32 32 CYS C C 178.025 0.300 1 308 32 32 CYS CA C 62.551 0.300 1 309 32 32 CYS CB C 26.584 0.300 1 310 32 32 CYS N N 119.538 0.300 1 311 33 33 MET H H 8.509 0.030 1 312 33 33 MET HA H 3.852 0.030 1 313 33 33 MET HB2 H 2.244 0.030 2 314 33 33 MET HB3 H 2.492 0.030 2 315 33 33 MET HE H 2.197 0.030 1 316 33 33 MET HG2 H 2.249 0.030 2 317 33 33 MET HG3 H 2.590 0.030 2 318 33 33 MET C C 178.800 0.300 1 319 33 33 MET CA C 60.651 0.300 1 320 33 33 MET CB C 33.181 0.300 1 321 33 33 MET CE C 17.788 0.300 1 322 33 33 MET CG C 32.307 0.300 1 323 33 33 MET N N 120.277 0.300 1 324 34 34 LEU H H 7.923 0.030 1 325 34 34 LEU HA H 4.124 0.030 1 326 34 34 LEU HB2 H 1.612 0.030 2 327 34 34 LEU HB3 H 1.840 0.030 2 328 34 34 LEU HD1 H 0.851 0.030 1 329 34 34 LEU HD2 H 0.764 0.030 1 330 34 34 LEU HG H 1.733 0.030 1 331 34 34 LEU C C 180.618 0.300 1 332 34 34 LEU CA C 57.801 0.300 1 333 34 34 LEU CB C 41.633 0.300 1 334 34 34 LEU CD1 C 25.137 0.300 2 335 34 34 LEU CD2 C 23.377 0.300 2 336 34 34 LEU CG C 26.831 0.300 1 337 34 34 LEU N N 119.461 0.300 1 338 35 35 GLN H H 7.960 0.030 1 339 35 35 GLN HA H 4.151 0.030 1 340 35 35 GLN HB2 H 2.131 0.030 1 341 35 35 GLN HB3 H 2.131 0.030 1 342 35 35 GLN HE21 H 7.455 0.030 2 343 35 35 GLN HE22 H 6.817 0.030 2 344 35 35 GLN HG2 H 2.407 0.030 2 345 35 35 GLN HG3 H 2.554 0.030 2 346 35 35 GLN C C 176.620 0.300 1 347 35 35 GLN CA C 57.625 0.300 1 348 35 35 GLN CB C 29.133 0.300 1 349 35 35 GLN CG C 33.985 0.300 1 350 35 35 GLN N N 117.710 0.300 1 351 35 35 GLN NE2 N 111.309 0.300 1 352 36 36 ASN H H 7.526 0.030 1 353 36 36 ASN HA H 4.951 0.030 1 354 36 36 ASN HB2 H 2.661 0.030 2 355 36 36 ASN HB3 H 2.881 0.030 2 356 36 36 ASN HD21 H 7.097 0.030 2 357 36 36 ASN HD22 H 7.747 0.030 2 358 36 36 ASN C C 174.512 0.300 1 359 36 36 ASN CA C 53.297 0.300 1 360 36 36 ASN CB C 40.107 0.300 1 361 36 36 ASN N N 114.136 0.300 1 362 36 36 ASN ND2 N 117.329 0.300 1 363 37 37 ASN H H 7.970 0.030 1 364 37 37 ASN HA H 4.490 0.030 1 365 37 37 ASN HB2 H 2.662 0.030 2 366 37 37 ASN HB3 H 3.080 0.030 2 367 37 37 ASN HD21 H 7.618 0.030 2 368 37 37 ASN HD22 H 6.881 0.030 2 369 37 37 ASN C C 174.221 0.300 1 370 37 37 ASN CA C 54.775 0.300 1 371 37 37 ASN CB C 37.521 0.300 1 372 37 37 ASN N N 118.186 0.300 1 373 37 37 ASN ND2 N 112.552 0.300 1 374 38 38 ASN H H 9.092 0.030 1 375 38 38 ASN HA H 3.787 0.030 1 376 38 38 ASN HB2 H 2.867 0.030 2 377 38 38 ASN HB3 H 3.144 0.030 2 378 38 38 ASN HD21 H 7.442 0.030 2 379 38 38 ASN HD22 H 6.898 0.030 2 380 38 38 ASN C C 173.107 0.300 1 381 38 38 ASN CA C 55.303 0.300 1 382 38 38 ASN CB C 38.096 0.300 1 383 38 38 ASN N N 107.716 0.300 1 384 38 38 ASN ND2 N 113.138 0.300 1 385 39 39 ASN H H 7.535 0.030 1 386 39 39 ASN HA H 4.679 0.030 1 387 39 39 ASN HB2 H 2.858 0.030 2 388 39 39 ASN HB3 H 3.065 0.030 2 389 39 39 ASN HD21 H 7.764 0.030 2 390 39 39 ASN HD22 H 7.262 0.030 2 391 39 39 ASN C C 175.118 0.300 1 392 39 39 ASN CA C 54.032 0.300 1 393 39 39 ASN CB C 39.660 0.300 1 394 39 39 ASN N N 116.601 0.300 1 395 39 39 ASN ND2 N 113.597 0.300 1 396 40 40 LEU H H 9.073 0.030 1 397 40 40 LEU HA H 3.810 0.030 1 398 40 40 LEU HB2 H 1.866 0.030 2 399 40 40 LEU HB3 H 1.755 0.030 2 400 40 40 LEU HD1 H 0.983 0.030 1 401 40 40 LEU HD2 H 0.969 0.030 1 402 40 40 LEU HG H 1.662 0.030 1 403 40 40 LEU C C 178.267 0.300 1 404 40 40 LEU CA C 59.842 0.300 1 405 40 40 LEU CB C 42.291 0.300 1 406 40 40 LEU CD1 C 24.914 0.300 2 407 40 40 LEU CD2 C 25.807 0.300 2 408 40 40 LEU CG C 27.595 0.300 1 409 40 40 LEU N N 131.352 0.300 1 410 41 41 ASP H H 8.391 0.030 1 411 41 41 ASP HA H 4.324 0.030 1 412 41 41 ASP HB2 H 2.662 0.030 2 413 41 41 ASP HB3 H 2.746 0.030 2 414 41 41 ASP C C 179.430 0.300 1 415 41 41 ASP CA C 58.188 0.300 1 416 41 41 ASP CB C 40.107 0.300 1 417 41 41 ASP N N 119.625 0.300 1 418 42 42 ALA H H 8.474 0.030 1 419 42 42 ALA HA H 4.159 0.030 1 420 42 42 ALA HB H 1.502 0.030 1 421 42 42 ALA C C 180.908 0.300 1 422 42 42 ALA CA C 54.951 0.300 1 423 42 42 ALA CB C 18.525 0.300 1 424 42 42 ALA N N 123.688 0.300 1 425 43 43 CYS H H 8.310 0.030 1 426 43 43 CYS HA H 3.927 0.030 1 427 43 43 CYS HB2 H 2.540 0.030 2 428 43 43 CYS HB3 H 3.196 0.030 2 429 43 43 CYS C C 176.886 0.300 1 430 43 43 CYS CA C 63.677 0.300 1 431 43 43 CYS CB C 28.476 0.300 1 432 43 43 CYS N N 114.587 0.300 1 433 44 44 CYS H H 8.690 0.030 1 434 44 44 CYS HA H 4.162 0.030 1 435 44 44 CYS HB2 H 3.137 0.030 2 436 44 44 CYS HB3 H 3.255 0.030 2 437 44 44 CYS C C 176.596 0.300 1 438 44 44 CYS CA C 64.187 0.300 1 439 44 44 CYS CB C 26.693 0.300 1 440 44 44 CYS N N 118.085 0.300 1 441 45 45 ALA H H 7.634 0.030 1 442 45 45 ALA HA H 4.135 0.030 1 443 45 45 ALA HB H 1.500 0.030 1 444 45 45 ALA C C 179.915 0.300 1 445 45 45 ALA CA C 55.267 0.300 1 446 45 45 ALA CB C 18.032 0.300 1 447 45 45 ALA N N 122.055 0.300 1 448 46 46 VAL H H 7.335 0.030 1 449 46 46 VAL HA H 3.779 0.030 1 450 46 46 VAL HB H 1.951 0.030 1 451 46 46 VAL HG1 H 0.905 0.030 1 452 46 46 VAL HG2 H 1.031 0.030 1 453 46 46 VAL C C 179.091 0.300 1 454 46 46 VAL CA C 65.612 0.300 1 455 46 46 VAL CB C 32.587 0.300 1 456 46 46 VAL CG1 C 21.979 0.300 2 457 46 46 VAL CG2 C 21.979 0.300 2 458 46 46 VAL N N 117.008 0.300 1 459 47 47 LEU H H 8.385 0.030 1 460 47 47 LEU HA H 3.740 0.030 1 461 47 47 LEU HB2 H 0.138 0.030 2 462 47 47 LEU HB3 H 0.787 0.030 2 463 47 47 LEU HD1 H 0.582 0.030 1 464 47 47 LEU HD2 H 0.586 0.030 1 465 47 47 LEU HG H 1.840 0.030 1 466 47 47 LEU C C 178.122 0.300 1 467 47 47 LEU CA C 57.308 0.300 1 468 47 47 LEU CB C 39.437 0.300 1 469 47 47 LEU CD1 C 27.585 0.300 2 470 47 47 LEU CD2 C 23.350 0.300 2 471 47 47 LEU CG C 26.731 0.300 1 472 47 47 LEU N N 119.136 0.300 1 473 48 48 SER H H 7.847 0.030 1 474 48 48 SER HA H 4.123 0.030 1 475 48 48 SER HB2 H 4.343 0.030 1 476 48 48 SER HB3 H 4.343 0.030 1 477 48 48 SER C C 175.384 0.300 1 478 48 48 SER CA C 63.479 0.300 1 479 48 48 SER CB C 60.992 0.300 1 480 48 48 SER N N 113.098 0.300 1 481 49 49 GLN H H 7.231 0.030 1 482 49 49 GLN HA H 4.368 0.030 1 483 49 49 GLN HB2 H 2.237 0.030 2 484 49 49 GLN HB3 H 2.189 0.030 2 485 49 49 GLN HE21 H 7.482 0.030 2 486 49 49 GLN HE22 H 6.881 0.030 2 487 49 49 GLN HG2 H 2.409 0.030 2 488 49 49 GLN HG3 H 2.541 0.030 2 489 49 49 GLN C C 177.177 0.300 1 490 49 49 GLN CA C 56.569 0.300 1 491 49 49 GLN CB C 29.216 0.300 1 492 49 49 GLN CG C 34.074 0.300 1 493 49 49 GLN N N 119.819 0.300 1 494 49 49 GLN NE2 N 112.251 0.300 1 495 50 50 GLU H H 8.255 0.030 1 496 50 50 GLU HA H 4.171 0.030 1 497 50 50 GLU HB2 H 1.998 0.030 2 498 50 50 GLU HB3 H 2.137 0.030 2 499 50 50 GLU HG2 H 2.290 0.030 1 500 50 50 GLU HG3 H 2.290 0.030 1 501 50 50 GLU C C 177.831 0.300 1 502 50 50 GLU CA C 58.188 0.300 1 503 50 50 GLU CB C 30.120 0.300 1 504 50 50 GLU CG C 36.123 0.300 1 505 50 50 GLU N N 120.860 0.300 1 506 51 51 SER H H 8.323 0.030 1 507 51 51 SER HA H 4.244 0.030 1 508 51 51 SER HB2 H 3.969 0.030 2 509 51 51 SER HB3 H 4.047 0.030 2 510 51 51 SER C C 175.845 0.300 1 511 51 51 SER CA C 60.510 0.300 1 512 51 51 SER CB C 63.014 0.300 1 513 51 51 SER N N 113.524 0.300 1 514 52 52 THR H H 7.717 0.030 1 515 52 52 THR HA H 4.167 0.030 1 516 52 52 THR HB H 4.308 0.030 1 517 52 52 THR HG2 H 1.240 0.030 1 518 52 52 THR C C 175.312 0.300 1 519 52 52 THR CA C 63.677 0.300 1 520 52 52 THR CB C 68.852 0.300 1 521 52 52 THR CG2 C 22.226 0.300 1 522 52 52 THR N N 113.917 0.300 1 523 53 53 ARG H H 7.807 0.030 1 524 53 53 ARG HA H 4.074 0.030 1 525 53 53 ARG HB2 H 1.652 0.030 2 526 53 53 ARG HB3 H 1.713 0.030 2 527 53 53 ARG HD2 H 3.072 0.030 1 528 53 53 ARG HD3 H 3.072 0.030 1 529 53 53 ARG HG2 H 1.414 0.030 1 530 53 53 ARG HG3 H 1.414 0.030 1 531 53 53 ARG C C 176.838 0.300 1 532 53 53 ARG CA C 57.766 0.300 1 533 53 53 ARG CB C 30.285 0.300 1 534 53 53 ARG CD C 43.607 0.300 1 535 53 53 ARG CG C 26.913 0.300 1 536 53 53 ARG N N 121.163 0.300 1 537 54 54 TYR H H 7.824 0.030 1 538 54 54 TYR HA H 4.488 0.030 1 539 54 54 TYR HB2 H 2.821 0.030 2 540 54 54 TYR HB3 H 3.133 0.030 2 541 54 54 TYR HD1 H 7.119 0.030 1 542 54 54 TYR HD2 H 7.119 0.030 1 543 54 54 TYR HE1 H 6.793 0.030 1 544 54 54 TYR HE2 H 6.793 0.030 1 545 54 54 TYR C C 176.256 0.300 1 546 54 54 TYR CA C 58.575 0.300 1 547 54 54 TYR CB C 38.320 0.300 1 548 54 54 TYR CD1 C 133.214 0.300 1 549 54 54 TYR CD2 C 133.214 0.300 1 550 54 54 TYR CE1 C 118.196 0.300 1 551 54 54 TYR CE2 C 118.196 0.300 1 552 54 54 TYR N N 118.030 0.300 1 553 55 55 LEU H H 7.762 0.030 1 554 55 55 LEU HA H 4.159 0.030 1 555 55 55 LEU HB2 H 1.233 0.030 2 556 55 55 LEU HB3 H 1.460 0.030 2 557 55 55 LEU HD1 H 0.765 0.030 1 558 55 55 LEU HD2 H 0.825 0.030 1 559 55 55 LEU HG H 1.388 0.030 1 560 55 55 LEU C C 177.226 0.300 1 561 55 55 LEU CA C 55.866 0.300 1 562 55 55 LEU CB C 42.373 0.300 1 563 55 55 LEU CD1 C 23.459 0.300 2 564 55 55 LEU CD2 C 25.022 0.300 2 565 55 55 LEU CG C 26.913 0.300 1 566 55 55 LEU N N 121.452 0.300 1 567 56 56 TYR H H 7.901 0.030 1 568 56 56 TYR HA H 4.606 0.030 1 569 56 56 TYR HB2 H 2.900 0.030 2 570 56 56 TYR HB3 H 3.172 0.030 2 571 56 56 TYR HD1 H 7.119 0.030 1 572 56 56 TYR HD2 H 7.119 0.030 1 573 56 56 TYR HE1 H 6.793 0.030 1 574 56 56 TYR HE2 H 6.793 0.030 1 575 56 56 TYR C C 176.281 0.300 1 576 56 56 TYR CA C 57.695 0.300 1 577 56 56 TYR CB C 38.672 0.300 1 578 56 56 TYR CD1 C 133.214 0.300 1 579 56 56 TYR CD2 C 133.214 0.300 1 580 56 56 TYR CE1 C 118.196 0.300 1 581 56 56 TYR CE2 C 118.196 0.300 1 582 56 56 TYR N N 118.143 0.300 1 583 57 57 GLY H H 8.130 0.030 1 584 57 57 GLY HA2 H 3.956 0.030 1 585 57 57 GLY HA3 H 3.956 0.030 1 586 57 57 GLY C C 174.027 0.300 1 587 57 57 GLY CA C 45.345 0.300 1 588 57 57 GLY N N 109.511 0.300 1 589 58 58 GLU H H 8.300 0.030 1 590 58 58 GLU HA H 4.272 0.030 1 591 58 58 GLU HB2 H 1.923 0.030 2 592 58 58 GLU HB3 H 2.079 0.030 2 593 58 58 GLU HG2 H 2.243 0.030 1 594 58 58 GLU HG3 H 2.243 0.030 1 595 58 58 GLU C C 177.008 0.300 1 596 58 58 GLU CA C 56.745 0.300 1 597 58 58 GLU CB C 30.499 0.300 1 598 58 58 GLU CG C 36.205 0.300 1 599 58 58 GLU N N 120.199 0.300 1 600 59 59 GLY H H 8.407 0.030 1 601 59 59 GLY HA2 H 3.890 0.030 1 602 59 59 GLY HA3 H 3.890 0.030 1 603 59 59 GLY C C 173.761 0.300 1 604 59 59 GLY CA C 45.310 0.300 1 605 59 59 GLY N N 109.535 0.300 1 606 60 60 ASP H H 8.186 0.030 1 607 60 60 ASP HA H 4.591 0.030 1 608 60 60 ASP HB2 H 2.601 0.030 2 609 60 60 ASP HB3 H 2.709 0.030 2 610 60 60 ASP C C 176.402 0.300 1 611 60 60 ASP CA C 54.493 0.300 1 612 60 60 ASP CB C 41.304 0.300 1 613 60 60 ASP N N 120.361 0.300 1 614 61 61 LEU H H 8.193 0.030 1 615 61 61 LEU HA H 4.246 0.030 1 616 61 61 LEU HB2 H 1.468 0.030 2 617 61 61 LEU HB3 H 1.585 0.030 2 618 61 61 LEU HD1 H 0.816 0.030 1 619 61 61 LEU HD2 H 0.816 0.030 1 620 61 61 LEU HG H 1.582 0.030 1 621 61 61 LEU C C 176.911 0.300 1 622 61 61 LEU CA C 55.338 0.300 1 623 61 61 LEU CB C 42.118 0.300 1 624 61 61 LEU CD1 C 23.350 0.300 2 625 61 61 LEU CD2 C 23.541 0.300 2 626 61 61 LEU CG C 26.925 0.300 1 627 61 61 LEU N N 122.307 0.300 1 628 62 62 ASN H H 8.308 0.030 1 629 62 62 ASN HA H 4.629 0.030 1 630 62 62 ASN HB2 H 2.637 0.030 2 631 62 62 ASN HB3 H 2.730 0.030 2 632 62 62 ASN HD21 H 7.598 0.030 2 633 62 62 ASN HD22 H 6.884 0.030 2 634 62 62 ASN C C 174.730 0.300 1 635 62 62 ASN CA C 53.121 0.300 1 636 62 62 ASN CB C 38.919 0.300 1 637 62 62 ASN N N 118.762 0.300 1 638 62 62 ASN ND2 N 113.355 0.300 1 639 63 63 PHE H H 8.138 0.030 1 640 63 63 PHE HA H 4.604 0.030 1 641 63 63 PHE HB2 H 2.996 0.030 2 642 63 63 PHE HB3 H 3.146 0.030 2 643 63 63 PHE HD1 H 7.221 0.030 1 644 63 63 PHE HD2 H 7.221 0.030 1 645 63 63 PHE HZ H 7.273 0.030 1 646 63 63 PHE C C 175.602 0.300 1 647 63 63 PHE CA C 57.836 0.300 1 648 63 63 PHE CB C 39.660 0.300 1 649 63 63 PHE CD1 C 131.756 0.300 1 650 63 63 PHE CD2 C 131.756 0.300 1 651 63 63 PHE CZ C 129.350 0.300 1 652 63 63 PHE N N 121.058 0.300 1 653 64 64 SER H H 8.177 0.030 1 654 64 64 SER HA H 4.417 0.030 1 655 64 64 SER HB2 H 3.789 0.030 2 656 64 64 SER HB3 H 3.828 0.030 2 657 64 64 SER C C 173.979 0.300 1 658 64 64 SER CA C 58.082 0.300 1 659 64 64 SER CB C 63.918 0.300 1 660 64 64 SER N N 117.414 0.300 1 661 65 65 ASP H H 8.307 0.030 1 662 65 65 ASP HA H 4.593 0.030 1 663 65 65 ASP HB2 H 2.674 0.030 2 664 65 65 ASP HB3 H 2.715 0.030 2 665 65 65 ASP C C 176.111 0.300 1 666 65 65 ASP CA C 54.423 0.300 1 667 65 65 ASP CB C 41.222 0.300 1 668 65 65 ASP N N 122.734 0.300 1 669 66 66 ASP H H 8.316 0.030 1 670 66 66 ASP HA H 4.630 0.030 1 671 66 66 ASP HB2 H 2.680 0.030 2 672 66 66 ASP HB3 H 2.710 0.030 2 673 66 66 ASP C C 176.741 0.300 1 674 66 66 ASP CA C 54.317 0.300 1 675 66 66 ASP CB C 40.893 0.300 1 676 66 66 ASP N N 121.324 0.300 1 677 67 67 SER H H 8.367 0.030 1 678 67 67 SER HA H 4.341 0.030 1 679 67 67 SER HB2 H 3.929 0.030 1 680 67 67 SER HB3 H 3.929 0.030 1 681 67 67 SER C C 175.457 0.300 1 682 67 67 SER CA C 59.419 0.300 1 683 67 67 SER CB C 63.754 0.300 1 684 67 67 SER N N 116.612 0.300 1 685 68 68 GLY H H 8.439 0.030 1 686 68 68 GLY HA2 H 3.950 0.030 1 687 68 68 GLY HA3 H 3.950 0.030 1 688 68 68 GLY C C 174.318 0.300 1 689 68 68 GLY CA C 45.521 0.300 1 690 68 68 GLY N N 110.651 0.300 1 691 69 69 ILE H H 7.909 0.030 1 692 69 69 ILE HA H 4.221 0.030 1 693 69 69 ILE HB H 1.891 0.030 1 694 69 69 ILE HD1 H 0.848 0.030 1 695 69 69 ILE HG12 H 1.156 0.030 2 696 69 69 ILE HG13 H 1.398 0.030 2 697 69 69 ILE HG2 H 0.899 0.030 1 698 69 69 ILE C C 176.402 0.300 1 699 69 69 ILE CA C 61.319 0.300 1 700 69 69 ILE CB C 38.767 0.300 1 701 69 69 ILE CD1 C 13.052 0.300 1 702 69 69 ILE CG1 C 27.324 0.300 1 703 69 69 ILE CG2 C 17.492 0.300 1 704 69 69 ILE N N 119.714 0.300 1 705 70 70 SER H H 8.391 0.030 1 706 70 70 SER C C 174.512 0.300 1 707 70 70 SER CA C 58.293 0.300 1 708 70 70 SER CB C 64.083 0.300 1 709 70 70 SER N N 119.625 0.300 1 710 72 72 PRO HA H 4.476 0.030 1 711 72 72 PRO HB2 H 1.981 0.030 2 712 72 72 PRO HB3 H 2.298 0.030 2 713 72 72 PRO C C 177.444 0.300 1 714 72 72 PRO CA C 63.219 0.300 1 715 72 72 PRO CB C 32.258 0.300 1 716 73 73 SER H H 8.536 0.030 1 717 73 73 SER HA H 4.487 0.030 1 718 73 73 SER HB2 H 3.889 0.030 1 719 73 73 SER HB3 H 3.889 0.030 1 720 73 73 SER C C 174.730 0.300 1 721 73 73 SER CA C 58.434 0.300 1 722 73 73 SER CB C 63.754 0.300 1 723 73 73 SER N N 116.477 0.300 1 724 74 74 SER H H 8.345 0.030 1 725 74 74 SER HA H 4.479 0.030 1 726 74 74 SER HB2 H 3.878 0.030 1 727 74 74 SER HB3 H 3.878 0.030 1 728 74 74 SER C C 173.979 0.300 1 729 74 74 SER CA C 58.364 0.300 1 730 74 74 SER CB C 64.165 0.300 1 731 74 74 SER N N 117.948 0.300 1 732 75 75 GLY H H 8.046 0.030 1 733 75 75 GLY C C 179.018 0.300 1 734 75 75 GLY CA C 46.190 0.300 1 735 75 75 GLY N N 116.884 0.300 1 stop_ save_