data_17033 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Solution NMR Structure of Nonsense mRNA reducing factor 3A from H. Sapiens, Northeast Structural Genomics Consortium Target HR4714B ; _BMRB_accession_number 17033 _BMRB_flat_file_name bmr17033.str _Entry_type original _Submission_date 2010-06-30 _Accession_date 2010-06-30 _Entry_origination author _NMR_STAR_version 2.1.1 _Experimental_method NMR _Details 'HR4714B is a 97 residue protein consisiting of a 10 residue N-terminal tag. N-HSQC spectrum shows only 71 peaks out of the 87 peaks (excluding tag) that are expected. The line broeadening of the peaks occur from residue D45 to S54. Also, M11, R16, S81 NH's are missing from N-HSQC spectrum. The reason for line broadening is not known.' loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Mani Rajeswari . . 2 Mao Lei . . 3 Ciccosanti Colleen . . 4 Shastry Ritu . . 5 Acton Thomas B. . 6 Xiao Rong . . 7 Swapna G.V.T . . 8 Everett John K. . 9 Montelione Gaetano B. . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 470 "13C chemical shifts" 288 "15N chemical shifts" 75 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2010-07-09 original author . stop_ _Original_release_date 2010-07-09 save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title 'olution NMR Structure of Nonsense mRNA reducing factor 3A from H. Sapiens, Northeast Structural Genomics Consortium Target HR4714B' _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 Mani Rajeswari . . 2 Mao Lei . . 3 Ciccosanti Colleen . . 4 Shastry Ritu . . 5 Acton Thomas B. . 6 Xiao Rong . . 7 Swapna G.V.T . . 8 Everett John . . 9 Montelione Gaetano . . stop_ _Journal_abbreviation 'Not known' _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 'Nonsense mRNA reducing factor' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label 'Nonsense mRNA reducing factor' $HR4714B 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_HR4714B _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common entity _Molecular_mass 11596.293 _Mol_thiol_state 'not present' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 97 _Mol_residue_sequence ; MGHHHHHHSHMVVIRRLPPG LTKEQLEEQLRPLPAHDYFE FFAADLSLYPHLYSRAYINF RNPDDILLFRDRFDGYIFLD SKGLEYPAVVEFAPFQK ; loop_ _Residue_seq_code _Residue_label 1 MET 2 GLY 3 HIS 4 HIS 5 HIS 6 HIS 7 HIS 8 HIS 9 SER 10 HIS 11 MET 12 VAL 13 VAL 14 ILE 15 ARG 16 ARG 17 LEU 18 PRO 19 PRO 20 GLY 21 LEU 22 THR 23 LYS 24 GLU 25 GLN 26 LEU 27 GLU 28 GLU 29 GLN 30 LEU 31 ARG 32 PRO 33 LEU 34 PRO 35 ALA 36 HIS 37 ASP 38 TYR 39 PHE 40 GLU 41 PHE 42 PHE 43 ALA 44 ALA 45 ASP 46 LEU 47 SER 48 LEU 49 TYR 50 PRO 51 HIS 52 LEU 53 TYR 54 SER 55 ARG 56 ALA 57 TYR 58 ILE 59 ASN 60 PHE 61 ARG 62 ASN 63 PRO 64 ASP 65 ASP 66 ILE 67 LEU 68 LEU 69 PHE 70 ARG 71 ASP 72 ARG 73 PHE 74 ASP 75 GLY 76 TYR 77 ILE 78 PHE 79 LEU 80 ASP 81 SER 82 LYS 83 GLY 84 LEU 85 GLU 86 TYR 87 PRO 88 ALA 89 VAL 90 VAL 91 GLU 92 PHE 93 ALA 94 PRO 95 PHE 96 GLN 97 LYS stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2015-06-13 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 2L08 "Solution Nmr Structure Of Nonsense Mrna Reducing Factor 3a From H. Sapiens, Northeast Structural Genomics Consortium Target Hr4" 100.00 97 100.00 100.00 1.12e-62 DBJ BAE02295 "unnamed protein product [Macaca fascicularis]" 88.66 459 100.00 100.00 2.30e-53 DBJ BAG57751 "unnamed protein product [Homo sapiens]" 74.23 146 100.00 100.00 7.96e-44 GB AAG48510 "hUPF3A [Homo sapiens]" 88.66 476 100.00 100.00 7.42e-53 GB AAG60690 "UPF3 [Homo sapiens]" 88.66 452 100.00 100.00 1.74e-52 GB EAX09248 "UPF3 regulator of nonsense transcripts homolog A (yeast), isoform CRA_b [Homo sapiens]" 88.66 476 100.00 100.00 7.42e-53 GB EAX09249 "UPF3 regulator of nonsense transcripts homolog A (yeast), isoform CRA_c [Homo sapiens]" 88.66 250 100.00 100.00 4.34e-55 GB EAX09250 "UPF3 regulator of nonsense transcripts homolog A (yeast), isoform CRA_c [Homo sapiens]" 88.66 250 100.00 100.00 4.34e-55 REF NP_001272234 "uncharacterized protein LOC101866227 [Macaca fascicularis]" 88.66 459 100.00 100.00 2.30e-53 REF NP_075387 "regulator of nonsense transcripts 3A isoform hUpf3p [Homo sapiens]" 88.66 476 100.00 100.00 7.42e-53 REF XP_002742608 "PREDICTED: regulator of nonsense transcripts 3A [Callithrix jacchus]" 88.66 472 97.67 98.84 1.21e-51 REF XP_002824527 "PREDICTED: regulator of nonsense transcripts 3A isoform X1 [Pongo abelii]" 88.66 476 98.84 100.00 3.81e-52 REF XP_003281173 "PREDICTED: regulator of nonsense transcripts 3A isoform X1 [Nomascus leucogenys]" 88.66 477 98.84 98.84 6.49e-52 SP Q9H1J1 "RecName: Full=Regulator of nonsense transcripts 3A; AltName: Full=Nonsense mRNA reducing factor 3A; AltName: Full=Up-frameshift" 88.66 476 100.00 100.00 7.42e-53 stop_ save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species $HR4714B 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 $HR4714B 'recombinant technology' . Escherichia coli 'BL21(DE3)+ magic' vector 'peT 15-15C' stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Saveframe_category sample _Sample_type solution _Details '100mM NaCl, 5mM DTT, 0.02% NaN3, 10mM Tris-HCl pH 7.5' loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $HR4714B 0.82 mM '[U-100% 13C; U-100% 15N]' H2O 90 % 'natural abundance' D2O 10 % 'natural abundance' NaCl 100 mM 'natural abundance' DTT 5 mM 'natural abundance' NaN3 0.02 % 'natural abundance' Tris-HCl 10 mM 'natural abundance' stop_ save_ save_sample_2 _Saveframe_category sample _Sample_type solution _Details '100mM NaCl, 5mM DTT, 0.02% NaN3, 10mM Tris-HCl pH 7.5' loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $HR4714B 0.9 mM '[U-10% 13C; U-99% 15N]' H2O 90 % 'natural abundance' D2O 10 % 'natural abundance' NaCl 100 mM 'natural abundance' DTT 5 mM 'natural abundance' NaN3 0.02 % 'natural abundance' Tris-HCl 10 mM 'natural abundance' stop_ save_ ############################ # Computer software used # ############################ save_CNS _Saveframe_category software _Name CNS _Version 2.0.6 loop_ _Vendor _Address _Electronic_address 'Brunger, Adams, Clore, Gros, Nilges and Read' . . stop_ loop_ _Task refinement stop_ _Details . save_ save_CYANA _Saveframe_category software _Name CYANA _Version 3.0 loop_ _Vendor _Address _Electronic_address 'Guntert, Mumenthaler and Wuthrich' . . stop_ loop_ _Task 'structure solution' stop_ _Details . save_ save_AutoStructure _Saveframe_category software _Name AutoStruct _Version 2.2.1 loop_ _Vendor _Address _Electronic_address 'Huang, Tejero, Powers and Montelione' . . stop_ loop_ _Task 'structure solution' stop_ _Details . save_ save_PINE _Saveframe_category software _Name PINE _Version . loop_ _Vendor _Address _Electronic_address 'Bahrami, Markley, Assadi, and Eghbalnia' . . stop_ loop_ _Task 'chemical shift assignment' stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _Field_strength 800 _Details . save_ save_spectrometer_2 _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-15N_HSQC_2 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N HSQC' _Sample_label $sample_1 save_ save_2D_1H-13C_HSQC_3 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-13C HSQC' _Sample_label $sample_1 save_ save_2D_1H-13C_HSQC_4 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-13C HSQC' _Sample_label $sample_1 save_ save_2D_1H-13C_HSQC_5 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-13C HSQC' _Sample_label $sample_2 save_ save_3D_CBCA(CO)NH_6 _Saveframe_category NMR_applied_experiment _Experiment_name '3D CBCA(CO)NH' _Sample_label $sample_1 save_ save_3D_HNCO_7 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCO' _Sample_label $sample_1 save_ save_3D_HNCA_8 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCA' _Sample_label $sample_1 save_ save_3D_HNCACB_9 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCACB' _Sample_label $sample_1 save_ save_3D_HBHA(CO)NH_10 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HBHA(CO)NH' _Sample_label $sample_1 save_ save_3D_C(CO)NH-TOCSY_11 _Saveframe_category NMR_applied_experiment _Experiment_name '3D C(CO)NH-TOCSY' _Sample_label $sample_1 save_ save_3D_CCH-TOCSY_12 _Saveframe_category NMR_applied_experiment _Experiment_name '3D CCH-TOCSY' _Sample_label $sample_1 save_ save_3D_HNHA_13 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNHA' _Sample_label $sample_2 save_ save_3D_simul_NOESY_14 _Saveframe_category NMR_applied_experiment _Experiment_name '3D simul NOESY' _Sample_label $sample_1 save_ save_3D_arom_NOESY_15 _Saveframe_category NMR_applied_experiment _Experiment_name '3D arom NOESY' _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 'ionic strength' 110 . mM pH 7.5 . pH pressure 1 . atm temperature 298 . K stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference_1 _Saveframe_category chemical_shift_reference _Details 'Internal DSS was used to reference the proton spectrum' 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 external indirect . . . 0.251449530 DSS H 1 'methyl protons' ppm 0.0 internal direct . . . 1.000 DSS N 15 'methyl protons' ppm 0.0 external indirect . . . 0.101329118 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chem_shift_list_1 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Software_label $PINE stop_ loop_ _Experiment_label '2D 1H-15N HSQC' '2D 1H-13C HSQC' '3D CBCA(CO)NH' '3D HNCO' '3D HNCA' '3D HNCACB' '3D HBHA(CO)NH' '3D C(CO)NH-TOCSY' '3D CCH-TOCSY' stop_ loop_ _Sample_label $sample_1 $sample_2 stop_ _Sample_conditions_label $sample_conditions_1 _Chem_shift_reference_set_label $chemical_shift_reference_1 _Mol_system_component_name 'Nonsense mRNA reducing factor' _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 9 9 SER HA H 4.310 0.06 1 2 9 9 SER HB2 H 3.670 0.06 1 3 9 9 SER CA C 59.224 0.55 1 4 9 9 SER CB C 63.884 0.55 1 5 10 10 HIS H H 8.770 0.06 1 6 10 10 HIS HA H 4.995 0.06 1 7 10 10 HIS HB2 H 3.228 0.06 2 8 10 10 HIS HB3 H 3.228 0.06 2 9 10 10 HIS CA C 54.495 0.55 1 10 10 10 HIS CB C 30.327 0.55 1 11 10 10 HIS N N 123.239 0.55 1 12 11 11 MET H H 7.861 0.06 1 13 11 11 MET CA C 55.79 0.55 1 14 11 11 MET N N 120.394 0.55 1 15 12 12 VAL HA H 4.904 0.06 1 16 12 12 VAL HB H 2.109 0.06 1 17 12 12 VAL HG1 H 0.911 0.06 2 18 12 12 VAL HG2 H 0.975 0.06 2 19 12 12 VAL CA C 60.411 0.55 1 20 12 12 VAL CB C 34.556 0.55 1 21 12 12 VAL CG1 C 22.58 0.55 2 22 12 12 VAL CG2 C 22.37 0.55 2 23 13 13 VAL H H 9.026 0.06 1 24 13 13 VAL HA H 5.06 0.06 1 25 13 13 VAL HB H 1.769 0.06 1 26 13 13 VAL HG1 H 0.48 0.06 2 27 13 13 VAL HG2 H 0.788 0.06 2 28 13 13 VAL CA C 58.791 0.55 1 29 13 13 VAL CB C 35.292 0.55 1 30 13 13 VAL CG1 C 21.89 0.55 2 31 13 13 VAL CG2 C 20.48 0.55 2 32 13 13 VAL N N 123.517 0.55 1 33 14 14 ILE H H 8.995 0.06 1 34 14 14 ILE HA H 5.264 0.06 1 35 14 14 ILE HB H 1.669 0.06 1 36 14 14 ILE HD1 H 0.781 0.06 1 37 14 14 ILE HG12 H 1.629 0.06 2 38 14 14 ILE HG13 H 1.008 0.06 2 39 14 14 ILE HG2 H 0.938 0.06 1 40 14 14 ILE CA C 59.0 0.55 1 41 14 14 ILE CB C 40.39 0.55 1 42 14 14 ILE CD1 C 14.8 0.55 1 43 14 14 ILE CG1 C 28.041 0.55 1 44 14 14 ILE CG2 C 17.116 0.55 1 45 14 14 ILE N N 125.765 0.55 1 46 15 15 ARG H H 9.590 0.06 1 47 15 15 ARG N N 123.550 0.55 1 48 16 16 ARG HA H 3.17 0.06 1 49 16 16 ARG HB2 H 2.06 0.06 2 50 16 16 ARG HB3 H 2.06 0.06 2 51 16 16 ARG HD2 H 2.7 0.06 2 52 16 16 ARG HD3 H 2.7 0.06 2 53 16 16 ARG HG2 H 0.98 0.06 2 54 16 16 ARG HG3 H 0.98 0.06 2 55 16 16 ARG CA C 57.06 0.55 1 56 16 16 ARG CB C 28.5 0.55 1 57 16 16 ARG CD C 43.39 0.55 1 58 16 16 ARG CG C 28.5 0.55 1 59 17 17 LEU H H 7.47 0.06 1 60 17 17 LEU HA H 4.41 0.06 1 61 17 17 LEU HB2 H 1.67 0.06 2 62 17 17 LEU HB3 H 1.67 0.06 2 63 17 17 LEU HD1 H 0.043 0.06 2 64 17 17 LEU HD2 H 0.043 0.06 2 65 17 17 LEU HG H 0.45 0.06 1 66 17 17 LEU CA C 52.59 0.55 1 67 17 17 LEU CB C 40.4 0.55 1 68 17 17 LEU CD1 C 22.05 0.55 2 69 17 17 LEU CD2 C 22.05 0.55 2 70 17 17 LEU CG C 26.2 0.55 1 71 17 17 LEU N N 116 0.55 1 72 19 19 PRO HA H 4.247 0.06 1 73 19 19 PRO HB2 H 1.92 0.06 2 74 19 19 PRO HB3 H 1.92 0.06 2 75 19 19 PRO CA C 63.866 0.55 1 76 19 19 PRO CB C 31.461 0.55 1 77 20 20 GLY H H 8.696 0.06 1 78 20 20 GLY HA2 H 4.094 0.06 2 79 20 20 GLY HA3 H 3.734 0.06 2 80 20 20 GLY CA C 44.908 0.55 1 81 20 20 GLY N N 108.382 0.55 1 82 21 21 LEU H H 6.830 0.06 1 83 21 21 LEU HA H 4.315 0.06 1 84 21 21 LEU HB2 H 1.683 0.06 2 85 21 21 LEU HB3 H 1.389 0.06 2 86 21 21 LEU HD1 H 0.937 0.06 2 87 21 21 LEU HD2 H 0.937 0.06 2 88 21 21 LEU HG H 0.724 0.06 1 89 21 21 LEU CA C 55.24 0.55 1 90 21 21 LEU CB C 44.150 0.55 1 91 21 21 LEU CD1 C 25.190 0.55 2 92 21 21 LEU CD2 C 25.19 0.55 2 93 21 21 LEU CG C 28.1 0.55 1 94 21 21 LEU N N 122.077 0.55 1 95 22 22 THR H H 7.352 0.06 1 96 22 22 THR HA H 4.433 0.06 1 97 22 22 THR HB H 4.433 0.06 1 98 22 22 THR CA C 58.892 0.55 1 99 22 22 THR CB C 71.894 0.55 1 100 22 22 THR N N 111.530 0.55 1 101 23 23 LYS H H 8.396 0.06 1 102 23 23 LYS HA H 2.707 0.06 1 103 23 23 LYS HB2 H 1.44 0.06 2 104 23 23 LYS HB3 H 1.44 0.06 2 105 23 23 LYS HD2 H 1.392 0.06 2 106 23 23 LYS HD3 H 1.392 0.06 2 107 23 23 LYS HE2 H 2.184 0.06 2 108 23 23 LYS HE3 H 2.012 0.06 2 109 23 23 LYS HG2 H 1.1 0.06 2 110 23 23 LYS HG3 H 0.652 0.06 2 111 23 23 LYS CA C 60.071 0.55 1 112 23 23 LYS CB C 32.504 0.55 1 113 23 23 LYS CD C 29.722 0.55 1 114 23 23 LYS CE C 41.58 0.55 1 115 23 23 LYS CG C 25.205 0.55 1 116 23 23 LYS N N 122.145 0.55 1 117 24 24 GLU H H 8.519 0.06 1 118 24 24 GLU HA H 3.974 0.06 1 119 24 24 GLU HB2 H 1.947 0.06 2 120 24 24 GLU HB3 H 1.844 0.06 2 121 24 24 GLU HG2 H 2.387 0.06 2 122 24 24 GLU HG3 H 2.182 0.06 2 123 24 24 GLU CA C 60.273 0.55 1 124 24 24 GLU CB C 28.758 0.55 1 125 24 24 GLU CG C 37.38 0.55 1 126 24 24 GLU N N 116.344 0.55 1 127 25 25 GLN H H 7.489 0.06 1 128 25 25 GLN HA H 4.09 0.06 1 129 25 25 GLN HB2 H 2.17 0.06 2 130 25 25 GLN HB3 H 1.925 0.06 2 131 25 25 GLN HE21 H 7.43 0.06 2 132 25 25 GLN HE22 H 6.7 0.06 2 133 25 25 GLN HG2 H 2.4 0.06 2 134 25 25 GLN HG3 H 2.4 0.06 2 135 25 25 GLN CA C 58.200 0.55 1 136 25 25 GLN CB C 29.3 0.55 1 137 25 25 GLN CG C 34.45 0.55 1 138 25 25 GLN N N 119.290 0.55 1 139 25 25 GLN NE2 N 110.2 0.55 1 140 26 26 LEU H H 8.113 0.06 1 141 26 26 LEU HA H 4.045 0.06 1 142 26 26 LEU HB2 H 1.977 0.06 2 143 26 26 LEU HB3 H 1.196 0.06 2 144 26 26 LEU HD1 H 0.75 0.06 2 145 26 26 LEU HD2 H 0.75 0.06 2 146 26 26 LEU HG H 0.858 0.06 1 147 26 26 LEU CA C 58.14 0.55 1 148 26 26 LEU CB C 40.706 0.55 1 149 26 26 LEU CD1 C 23.82 0.55 2 150 26 26 LEU CD2 C 23.82 0.55 2 151 26 26 LEU CG C 27.57 0.55 1 152 26 26 LEU N N 120.572 0.55 1 153 27 27 GLU H H 8.730 0.06 1 154 27 27 GLU HA H 3.516 0.06 1 155 27 27 GLU HB2 H 2.033 0.06 2 156 27 27 GLU HB3 H 2.033 0.06 2 157 27 27 GLU HG2 H 2.29 0.06 2 158 27 27 GLU HG3 H 2.027 0.06 2 159 27 27 GLU CA C 60.984 0.55 1 160 27 27 GLU CB C 29.548 0.55 1 161 27 27 GLU CG C 37.140 0.55 1 162 27 27 GLU N N 118.183 0.55 1 163 28 28 GLU H H 7.550 0.06 1 164 28 28 GLU HA H 3.92 0.06 1 165 28 28 GLU HB2 H 2.151 0.06 2 166 28 28 GLU HB3 H 2.08 0.06 2 167 28 28 GLU HG2 H 2.325 0.06 2 168 28 28 GLU HG3 H 2.277 0.06 2 169 28 28 GLU CA C 59.278 0.55 1 170 28 28 GLU CB C 29.55 0.55 1 171 28 28 GLU CG C 35.944 0.55 1 172 28 28 GLU N N 115.918 0.55 1 173 29 29 GLN H H 7.481 0.06 1 174 29 29 GLN HA H 4.208 0.06 1 175 29 29 GLN HB2 H 2.203 0.06 2 176 29 29 GLN HB3 H 2.133 0.06 2 177 29 29 GLN HE21 H 7.56 0.06 2 178 29 29 GLN HE22 H 7.12 0.06 2 179 29 29 GLN HG2 H 2.598 0.06 2 180 29 29 GLN HG3 H 2.521 0.06 2 181 29 29 GLN CA C 57.584 0.55 1 182 29 29 GLN CB C 29.587 0.55 1 183 29 29 GLN CG C 34.484 0.55 1 184 29 29 GLN N N 115.680 0.55 1 185 29 29 GLN NE2 N 112.9 0.55 1 186 30 30 LEU H H 7.594 0.06 1 187 30 30 LEU HA H 4.139 0.06 1 188 30 30 LEU HB2 H 1.481 0.06 2 189 30 30 LEU HB3 H 1.326 0.06 2 190 30 30 LEU HD1 H -0.23 0.06 2 191 30 30 LEU HD2 H -0.23 0.06 2 192 30 30 LEU HG H 0.488 0.06 1 193 30 30 LEU CA C 54.75 0.55 1 194 30 30 LEU CB C 42.377 0.55 1 195 30 30 LEU CD1 C 20.582 0.55 2 196 30 30 LEU CD2 C 20.582 0.55 2 197 30 30 LEU CG C 25.89 0.55 1 198 30 30 LEU N N 116.083 0.55 1 199 31 31 ARG H H 7.117 0.06 1 200 31 31 ARG HA H 4.241 0.06 1 201 31 31 ARG HB2 H 1.938 0.06 2 202 31 31 ARG HB3 H 1.78 0.06 2 203 31 31 ARG HD2 H 3.211 0.06 2 204 31 31 ARG HD3 H 3.18 0.06 2 205 31 31 ARG HG2 H 1.85 0.06 2 206 31 31 ARG HG3 H 1.649 0.06 2 207 31 31 ARG CA C 55.36 0.55 1 208 31 31 ARG CB C 30.422 0.55 1 209 31 31 ARG CD C 43.9 0.55 1 210 31 31 ARG CG C 26.5 0.55 1 211 31 31 ARG N N 117.111 0.55 1 212 32 32 PRO HA H 4.64 0.06 1 213 32 32 PRO HB2 H 2.27 0.06 2 214 32 32 PRO HB3 H 2.027 0.06 2 215 32 32 PRO HD2 H 3.669 0.06 2 216 32 32 PRO HD3 H 3.566 0.06 2 217 32 32 PRO HG2 H 2.162 0.06 2 218 32 32 PRO HG3 H 1.961 0.06 2 219 32 32 PRO CA C 61.886 0.55 1 220 32 32 PRO CB C 33.350 0.55 1 221 32 32 PRO CD C 50.27 0.55 1 222 32 32 PRO CG C 24.662 0.55 1 223 33 33 LEU H H 9.155 0.06 1 224 33 33 LEU HA H 4.75 0.06 1 225 33 33 LEU HB2 H 1.66 0.06 2 226 33 33 LEU HB3 H 1.532 0.06 2 227 33 33 LEU HD1 H 0.570 0.06 2 228 33 33 LEU HD2 H 0.533 0.06 2 229 33 33 LEU HG H 1.59 0.06 1 230 33 33 LEU CA C 53.250 0.55 1 231 33 33 LEU CB C 43.314 0.55 1 232 33 33 LEU CD1 C 25.7 0.55 2 233 33 33 LEU CD2 C 25.6 0.55 2 234 33 33 LEU CG C 27.27 0.55 1 235 33 33 LEU N N 129.31 0.55 1 236 34 34 PRO HA H 4.512 0.06 1 237 34 34 PRO HB2 H 2.392 0.06 2 238 34 34 PRO HB3 H 1.65 0.06 2 239 34 34 PRO HD2 H 4.249 0.06 2 240 34 34 PRO HD3 H 3.409 0.06 2 241 34 34 PRO HG2 H 1.99 0.06 2 242 34 34 PRO HG3 H 1.99 0.06 2 243 34 34 PRO CA C 62.030 0.55 1 244 34 34 PRO CB C 32.045 0.55 1 245 34 34 PRO CD C 50.88 0.55 1 246 34 34 PRO CG C 27.61 0.55 1 247 35 35 ALA H H 8.643 0.06 1 248 35 35 ALA HA H 4.25 0.06 1 249 35 35 ALA HB H 1.409 0.06 1 250 35 35 ALA CA C 53.37 0.55 1 251 35 35 ALA CB C 18.61 0.55 1 252 35 35 ALA N N 122.4 0.55 1 253 36 36 HIS H H 8.412 0.06 1 254 36 36 HIS HA H 5.251 0.06 1 255 36 36 HIS HB2 H 3.0 0.06 2 256 36 36 HIS HB3 H 2.686 0.06 2 257 36 36 HIS CA C 55.757 0.55 1 258 36 36 HIS CB C 32.24 0.55 1 259 36 36 HIS N N 119.5 0.55 1 260 37 37 ASP H H 8.544 0.06 1 261 37 37 ASP HA H 4.798 0.06 1 262 37 37 ASP HB2 H 2.98 0.06 2 263 37 37 ASP HB3 H 2.421 0.06 2 264 37 37 ASP CA C 52.850 0.55 1 265 37 37 ASP CB C 41.642 0.55 1 266 37 37 ASP N N 117.480 0.55 1 267 38 38 TYR H H 7.485 0.06 1 268 38 38 TYR HA H 4.652 0.06 1 269 38 38 TYR HB2 H 3.16 0.06 2 270 38 38 TYR HB3 H 2.482 0.06 2 271 38 38 TYR HD1 H 6.86 0.06 3 272 38 38 TYR HD2 H 6.86 0.06 3 273 38 38 TYR CA C 58.249 0.55 1 274 38 38 TYR CB C 41.45 0.55 1 275 38 38 TYR CD1 C 132.93 0.55 3 276 38 38 TYR CD2 C 132.93 0.55 3 277 38 38 TYR N N 120.448 0.55 1 278 39 39 PHE H H 8.473 0.06 1 279 39 39 PHE HA H 5.347 0.06 1 280 39 39 PHE HB2 H 2.862 0.06 2 281 39 39 PHE HB3 H 2.862 0.06 2 282 39 39 PHE HD1 H 7.08 0.06 3 283 39 39 PHE HD2 H 7.08 0.06 3 284 39 39 PHE HE1 H 6.86 0.06 3 285 39 39 PHE HE2 H 6.86 0.06 3 286 39 39 PHE CA C 54.855 0.55 1 287 39 39 PHE CB C 39.688 0.55 1 288 39 39 PHE CD1 C 133.0 0.55 3 289 39 39 PHE CD2 C 133.0 0.55 3 290 39 39 PHE CE1 C 130.89 0.55 3 291 39 39 PHE CE2 C 130.89 0.55 3 292 39 39 PHE N N 129.771 0.55 1 293 40 40 GLU H H 8.682 0.06 1 294 40 40 GLU HA H 4.336 0.06 1 295 40 40 GLU HB2 H 1.76 0.06 2 296 40 40 GLU HB3 H 1.52 0.06 2 297 40 40 GLU HG2 H 1.917 0.06 2 298 40 40 GLU HG3 H 1.519 0.06 2 299 40 40 GLU CA C 54.632 0.55 1 300 40 40 GLU CB C 33.3 0.55 1 301 40 40 GLU CG C 36.28 0.55 1 302 40 40 GLU N N 127.701 0.55 1 303 41 41 PHE H H 8.6 0.06 1 304 41 41 PHE HA H 4.783 0.06 1 305 41 41 PHE HB2 H 2.8 0.06 2 306 41 41 PHE HB3 H 2.445 0.06 2 307 41 41 PHE HD1 H 6.86 0.06 3 308 41 41 PHE HD2 H 6.876 0.06 3 309 41 41 PHE HE1 H 6.912 0.06 3 310 41 41 PHE HE2 H 6.912 0.06 3 311 41 41 PHE CA C 56.683 0.55 1 312 41 41 PHE CB C 43.22 0.55 1 313 41 41 PHE CD1 C 132.94 0.55 3 314 41 41 PHE CD2 C 132.94 0.55 3 315 41 41 PHE CE1 C 130.94 0.55 3 316 41 41 PHE CE2 C 130.94 0.55 3 317 41 41 PHE N N 125.93 0.55 1 318 42 42 PHE H H 8.692 0.06 1 319 42 42 PHE HA H 4.419 0.06 1 320 42 42 PHE HB2 H 2.581 0.06 2 321 42 42 PHE HB3 H 2.581 0.06 2 322 42 42 PHE HD1 H 7.078 0.06 3 323 42 42 PHE HD2 H 7.078 0.06 3 324 42 42 PHE CA C 56.73 0.55 1 325 42 42 PHE CB C 40.426 0.55 1 326 42 42 PHE CD1 C 131.256 0.55 3 327 42 42 PHE CD2 C 131.256 0.55 3 328 42 42 PHE N N 128.068 0.55 1 329 43 43 ALA H H 8.114 0.06 1 330 43 43 ALA HA H 4.124 0.06 1 331 43 43 ALA HB H 1.474 0.06 1 332 43 43 ALA CA C 51.75 0.55 1 333 43 43 ALA CB C 19.82 0.55 1 334 43 43 ALA N N 125.320 0.55 1 335 44 44 ALA H H 7.909 0.06 1 336 44 44 ALA N N 121.865 0.55 1 337 46 46 LEU HA H 4.375 0.06 1 338 46 46 LEU HB2 H 1.835 0.06 2 339 46 46 LEU HB3 H 1.835 0.06 2 340 46 46 LEU HD1 H 0.964 0.06 2 341 46 46 LEU HD2 H 0.964 0.06 2 342 46 46 LEU HG H 1.602 0.06 1 343 46 46 LEU CA C 55.946 0.55 1 344 46 46 LEU CB C 41.630 0.55 1 345 46 46 LEU CD1 C 24.64 0.55 2 346 46 46 LEU CD2 C 24.64 0.55 2 347 46 46 LEU CG C 27.7 0.55 1 348 47 47 SER H H 8.238 0.06 1 349 47 47 SER CA C 59.879 0.55 1 350 47 47 SER N N 114.63 0.55 1 351 53 53 TYR HA H 5.08 0.06 1 352 53 53 TYR HB2 H 3.47 0.06 2 353 53 53 TYR HB3 H 3.7 0.06 2 354 53 53 TYR HE1 H 6.84 0.06 3 355 53 53 TYR HE2 H 6.84 0.06 3 356 53 53 TYR CA C 56.4 0.55 1 357 53 53 TYR CB C 43.8 0.55 1 358 53 53 TYR CE1 C 118.4 0.55 3 359 53 53 TYR CE2 C 118.4 0.55 3 360 54 54 SER H H 8.17 0.06 1 361 54 54 SER HA H 4.622 0.06 1 362 54 54 SER CA C 57.909 0.55 1 363 54 54 SER N N 117.6 0.55 1 364 55 55 ARG H H 8.115 0.06 1 365 55 55 ARG HA H 5.157 0.06 1 366 55 55 ARG HB2 H 1.89 0.06 2 367 55 55 ARG HB3 H 1.89 0.06 2 368 55 55 ARG HD2 H 2.911 0.06 2 369 55 55 ARG HD3 H 2.911 0.06 2 370 55 55 ARG CA C 55.048 0.55 1 371 55 55 ARG CB C 33.9 0.55 1 372 55 55 ARG CD C 44.07 0.55 1 373 55 55 ARG CG C 25.58 0.55 1 374 55 55 ARG N N 115.104 0.55 1 375 56 56 ALA H H 9.044 0.06 1 376 56 56 ALA HA H 5.355 0.06 1 377 56 56 ALA HB H 1.253 0.06 1 378 56 56 ALA CA C 50.696 0.55 1 379 56 56 ALA CB C 24.231 0.55 1 380 56 56 ALA N N 120.189 0.55 1 381 57 57 TYR H H 8.807 0.06 1 382 57 57 TYR HA H 5.528 0.06 1 383 57 57 TYR HB2 H 3.42 0.06 2 384 57 57 TYR HB3 H 2.87 0.06 2 385 57 57 TYR HD1 H 7.11 0.06 3 386 57 57 TYR HD2 H 7.11 0.06 3 387 57 57 TYR HE1 H 6.47 0.06 3 388 57 57 TYR HE2 H 6.47 0.06 3 389 57 57 TYR CA C 56.032 0.55 1 390 57 57 TYR CB C 42.403 0.55 1 391 57 57 TYR CD1 C 132.95 0.55 3 392 57 57 TYR CD2 C 132.95 0.55 3 393 57 57 TYR CE1 C 118.08 0.55 3 394 57 57 TYR CE2 C 118.08 0.55 3 395 57 57 TYR N N 118.807 0.55 1 396 58 58 ILE H H 8.754 0.06 1 397 58 58 ILE HA H 4.760 0.06 1 398 58 58 ILE HB H 0.841 0.06 1 399 58 58 ILE HD1 H -0.123 0.06 1 400 58 58 ILE HG12 H 1.017 0.06 2 401 58 58 ILE HG13 H 0.049 0.06 2 402 58 58 ILE HG2 H -0.198 0.06 1 403 58 58 ILE CA C 59.932 0.55 1 404 58 58 ILE CB C 42.307 0.55 1 405 58 58 ILE CD1 C 14.28 0.55 1 406 58 58 ILE CG1 C 27.297 0.55 1 407 58 58 ILE CG2 C 16.71 0.55 1 408 58 58 ILE N N 119.742 0.55 1 409 59 59 ASN H H 8.569 0.06 1 410 59 59 ASN HA H 5.305 0.06 1 411 59 59 ASN HB2 H 3.228 0.06 2 412 59 59 ASN HB3 H 2.101 0.06 2 413 59 59 ASN HD21 H 7.47 0.06 2 414 59 59 ASN HD22 H 6.77 0.06 2 415 59 59 ASN CA C 52.495 0.55 1 416 59 59 ASN CB C 42.139 0.55 1 417 59 59 ASN N N 125.611 0.55 1 418 59 59 ASN ND2 N 112.6 0.55 1 419 60 60 PHE H H 8.362 0.06 1 420 60 60 PHE HA H 4.726 0.06 1 421 60 60 PHE HB2 H 2.662 0.06 2 422 60 60 PHE HB3 H 2.662 0.06 2 423 60 60 PHE HD1 H 7.276 0.06 3 424 60 60 PHE HD2 H 7.276 0.06 3 425 60 60 PHE HE1 H 6.651 0.06 3 426 60 60 PHE HE2 H 6.651 0.06 3 427 60 60 PHE CA C 58.909 0.55 1 428 60 60 PHE CB C 39.7 0.55 1 429 60 60 PHE CD1 C 131.25 0.55 3 430 60 60 PHE CD2 C 131.25 0.55 3 431 60 60 PHE CE1 C 130.73 0.55 3 432 60 60 PHE CE2 C 130.73 0.55 3 433 60 60 PHE N N 124.936 0.55 1 434 61 61 ARG H H 7.959 0.06 1 435 61 61 ARG HA H 4.234 0.06 1 436 61 61 ARG HB2 H 1.843 0.06 2 437 61 61 ARG HB3 H 1.547 0.06 2 438 61 61 ARG HD2 H 3.145 0.06 2 439 61 61 ARG HD3 H 3.074 0.06 2 440 61 61 ARG HG2 H 1.458 0.06 2 441 61 61 ARG HG3 H 1.458 0.06 2 442 61 61 ARG CA C 58.175 0.55 1 443 61 61 ARG CB C 30.535 0.55 1 444 61 61 ARG CD C 42.776 0.55 1 445 61 61 ARG CG C 27.78 0.55 1 446 61 61 ARG N N 118.956 0.55 1 447 62 62 ASN H H 9.219 0.06 1 448 62 62 ASN HA H 5.154 0.06 1 449 62 62 ASN HB2 H 3.157 0.06 2 450 62 62 ASN HB3 H 2.737 0.06 2 451 62 62 ASN HD21 H 7.52 0.06 2 452 62 62 ASN HD22 H 7.12 0.06 2 453 62 62 ASN CA C 49.332 0.55 1 454 62 62 ASN CB C 39.421 0.55 1 455 62 62 ASN N N 118.223 0.55 1 456 62 62 ASN ND2 N 113.0 0.55 1 457 63 63 PRO HA H 3.901 0.06 1 458 63 63 PRO HB2 H 1.864 0.06 2 459 63 63 PRO HB3 H 1.864 0.06 2 460 63 63 PRO HD2 H 3.918 0.06 2 461 63 63 PRO HD3 H 3.562 0.06 2 462 63 63 PRO HG2 H 1.877 0.06 2 463 63 63 PRO HG3 H 1.668 0.06 2 464 63 63 PRO CA C 64.844 0.55 1 465 63 63 PRO CB C 31.599 0.55 1 466 63 63 PRO CD C 50.95 0.55 1 467 63 63 PRO CG C 27.230 0.55 1 468 64 64 ASP H H 8.227 0.06 1 469 64 64 ASP HA H 4.332 0.06 1 470 64 64 ASP HB2 H 2.639 0.06 2 471 64 64 ASP HB3 H 2.432 0.06 2 472 64 64 ASP CA C 57.06 0.55 1 473 64 64 ASP CB C 39.862 0.55 1 474 64 64 ASP N N 118.118 0.55 1 475 65 65 ASP H H 7.791 0.06 1 476 65 65 ASP HA H 4.498 0.06 1 477 65 65 ASP HB2 H 2.806 0.06 2 478 65 65 ASP HB3 H 2.084 0.06 2 479 65 65 ASP CA C 56.729 0.55 1 480 65 65 ASP CB C 40.517 0.55 1 481 65 65 ASP N N 117.848 0.55 1 482 66 66 ILE H H 7.308 0.06 1 483 66 66 ILE HA H 3.271 0.06 1 484 66 66 ILE HB H 1.774 0.06 1 485 66 66 ILE HD1 H 0.780 0.06 1 486 66 66 ILE HG12 H 1.482 0.06 2 487 66 66 ILE HG13 H 0.791 0.06 2 488 66 66 ILE HG2 H 0.565 0.06 1 489 66 66 ILE CA C 66.061 0.55 1 490 66 66 ILE CB C 37.744 0.55 1 491 66 66 ILE CD1 C 14.21 0.55 1 492 66 66 ILE CG1 C 29.190 0.55 1 493 66 66 ILE CG2 C 16.96 0.55 1 494 66 66 ILE N N 119.036 0.55 1 495 67 67 LEU H H 7.135 0.06 1 496 67 67 LEU HA H 3.995 0.06 1 497 67 67 LEU HB2 H 1.754 0.06 2 498 67 67 LEU HB3 H 1.651 0.06 2 499 67 67 LEU HD1 H 0.937 0.06 2 500 67 67 LEU HD2 H 0.857 0.06 2 501 67 67 LEU HG H 1.676 0.06 1 502 67 67 LEU CA C 57.955 0.55 1 503 67 67 LEU CB C 40.98 0.55 1 504 67 67 LEU CD1 C 25.03 0.55 2 505 67 67 LEU CD2 C 23.19 0.55 2 506 67 67 LEU CG C 27.43 0.55 1 507 67 67 LEU N N 117.748 0.55 1 508 68 68 LEU H H 6.999 0.06 1 509 68 68 LEU HA H 4.115 0.06 1 510 68 68 LEU HB2 H 1.752 0.06 1 511 68 68 LEU HB3 H 1.621 0.06 1 512 68 68 LEU HD1 H 0.77 0.06 2 513 68 68 LEU HD2 H 0.865 0.06 2 514 68 68 LEU HG H 1.67 0.06 1 515 68 68 LEU CA C 57.65 0.55 1 516 68 68 LEU CB C 41.885 0.55 1 517 68 68 LEU CD1 C 24.9 0.55 2 518 68 68 LEU CD2 C 23.67 0.55 2 519 68 68 LEU CG C 27.23 0.55 1 520 68 68 LEU N N 117.757 0.55 1 521 69 69 PHE H H 8.070 0.06 1 522 69 69 PHE HA H 4.175 0.06 1 523 69 69 PHE HB2 H 3.135 0.06 2 524 69 69 PHE HB3 H 3.038 0.06 2 525 69 69 PHE HD1 H 7.26 0.06 3 526 69 69 PHE HD2 H 7.26 0.06 3 527 69 69 PHE HE1 H 6.661 0.06 3 528 69 69 PHE HE2 H 6.661 0.06 3 529 69 69 PHE CA C 62.082 0.55 1 530 69 69 PHE CB C 40.355 0.55 1 531 69 69 PHE CD1 C 131.99 0.55 3 532 69 69 PHE CD2 C 131.99 0.55 3 533 69 69 PHE CE1 C 130.68 0.55 3 534 69 69 PHE CE2 C 130.68 0.55 3 535 69 69 PHE N N 120.401 0.55 1 536 70 70 ARG H H 8.589 0.06 1 537 70 70 ARG HA H 3.772 0.06 1 538 70 70 ARG HB2 H 2.207 0.06 2 539 70 70 ARG HB3 H 1.87 0.06 2 540 70 70 ARG HD2 H 3.108 0.06 2 541 70 70 ARG HD3 H 3.108 0.06 2 542 70 70 ARG HG2 H 1.796 0.06 2 543 70 70 ARG HG3 H 1.796 0.06 2 544 70 70 ARG CA C 60.560 0.55 1 545 70 70 ARG CB C 29.606 0.55 1 546 70 70 ARG CD C 43.29 0.55 1 547 70 70 ARG CG C 27.29 0.55 1 548 70 70 ARG N N 119.671 0.55 1 549 71 71 ASP H H 8.292 0.06 1 550 71 71 ASP HA H 4.323 0.06 1 551 71 71 ASP HB2 H 2.774 0.06 2 552 71 71 ASP HB3 H 2.563 0.06 2 553 71 71 ASP CA C 57.06 0.55 1 554 71 71 ASP CB C 40.149 0.55 1 555 71 71 ASP N N 117.865 0.55 1 556 72 72 ARG H H 7.533 0.06 1 557 72 72 ARG HA H 3.810 0.06 1 558 72 72 ARG HB2 H 1.381 0.06 2 559 72 72 ARG HB3 H 0.977 0.06 2 560 72 72 ARG HD2 H 2.899 0.06 2 561 72 72 ARG HD3 H 2.733 0.06 2 562 72 72 ARG HG2 H 1.178 0.06 2 563 72 72 ARG HG3 H 0.402 0.06 2 564 72 72 ARG CA C 58.708 0.55 1 565 72 72 ARG CB C 31.232 0.55 1 566 72 72 ARG CD C 43.8 0.55 1 567 72 72 ARG CG C 26.9 0.55 1 568 72 72 ARG N N 117.536 0.55 1 569 73 73 PHE H H 7.788 0.06 1 570 73 73 PHE HA H 4.652 0.06 1 571 73 73 PHE HB2 H 2.794 0.06 2 572 73 73 PHE HB3 H 1.851 0.06 2 573 73 73 PHE HD1 H 6.103 0.06 3 574 73 73 PHE HD2 H 6.103 0.06 3 575 73 73 PHE HE1 H 6.578 0.06 3 576 73 73 PHE HE2 H 6.578 0.06 3 577 73 73 PHE CA C 60.279 0.55 1 578 73 73 PHE CB C 40.644 0.55 1 579 73 73 PHE CD1 C 131.779 0.55 3 580 73 73 PHE CD2 C 131.779 0.55 3 581 73 73 PHE CE1 C 134.3 0.55 3 582 73 73 PHE CE2 C 134.3 0.55 3 583 73 73 PHE N N 112.378 0.55 1 584 74 74 ASP H H 8.762 0.06 1 585 74 74 ASP HA H 4.534 0.06 1 586 74 74 ASP HB2 H 2.74 0.06 1 587 74 74 ASP HB3 H 2.80 0.06 1 588 74 74 ASP CA C 57.706 0.55 1 589 74 74 ASP CB C 41.37 0.55 1 590 74 74 ASP N N 122.329 0.55 1 591 75 75 GLY H H 8.912 0.06 1 592 75 75 GLY HA2 H 4.240 0.06 2 593 75 75 GLY HA3 H 3.658 0.06 2 594 75 75 GLY CA C 45.787 0.55 1 595 75 75 GLY N N 118.705 0.55 1 596 76 76 TYR H H 8.027 0.06 1 597 76 76 TYR HA H 4.041 0.06 1 598 76 76 TYR HB2 H 3.125 0.06 2 599 76 76 TYR HB3 H 3.125 0.06 2 600 76 76 TYR HD1 H 6.585 0.06 3 601 76 76 TYR HD2 H 6.585 0.06 3 602 76 76 TYR HE1 H 6.316 0.06 3 603 76 76 TYR HE2 H 6.316 0.06 3 604 76 76 TYR CA C 59.236 0.55 1 605 76 76 TYR CB C 40.304 0.55 1 606 76 76 TYR CD1 C 134.17 0.55 3 607 76 76 TYR CD2 C 134.17 0.55 3 608 76 76 TYR CE1 C 117.3 0.55 3 609 76 76 TYR CE2 C 117.3 0.55 3 610 76 76 TYR N N 123.833 0.55 1 611 77 77 ILE H H 7.64 0.06 1 612 77 77 ILE HA H 3.965 0.06 1 613 77 77 ILE HB H 1.555 0.06 1 614 77 77 ILE HD1 H 0.729 0.06 1 615 77 77 ILE HG12 H 1.603 0.06 2 616 77 77 ILE HG13 H 0.974 0.06 2 617 77 77 ILE HG2 H 0.679 0.06 1 618 77 77 ILE CA C 61.833 0.55 1 619 77 77 ILE CB C 37.189 0.55 1 620 77 77 ILE CD1 C 12.02 0.55 1 621 77 77 ILE CG1 C 28.141 0.55 1 622 77 77 ILE CG2 C 18.16 0.55 1 623 77 77 ILE N N 127.127 0.55 1 624 78 78 PHE H H 8.372 0.06 1 625 78 78 PHE HA H 4.601 0.06 1 626 78 78 PHE HB2 H 3.264 0.06 2 627 78 78 PHE HB3 H 2.907 0.06 2 628 78 78 PHE HD1 H 7.602 0.06 3 629 78 78 PHE HD2 H 7.602 0.06 3 630 78 78 PHE CA C 57.652 0.55 1 631 78 78 PHE CB C 41.676 0.55 1 632 78 78 PHE CD1 C 132.625 0.55 3 633 78 78 PHE CD2 C 132.625 0.55 3 634 78 78 PHE N N 128.546 0.55 1 635 79 79 LEU H H 8.832 0.06 1 636 79 79 LEU HA H 5.68 0.06 1 637 79 79 LEU HB2 H 1.762 0.06 2 638 79 79 LEU HB3 H 1.534 0.06 2 639 79 79 LEU HD1 H 0.886 0.06 2 640 79 79 LEU HD2 H 0.759 0.06 2 641 79 79 LEU HG H 1.611 0.06 1 642 79 79 LEU CA C 53.524 0.55 1 643 79 79 LEU CB C 45.29 0.55 1 644 79 79 LEU CD1 C 25.5 0.55 2 645 79 79 LEU CD2 C 24.7 0.55 2 646 79 79 LEU CG C 27.32 0.55 1 647 79 79 LEU N N 121.48 0.55 1 648 80 80 ASP H H 8.421 0.06 1 649 80 80 ASP HA H 4.85 0.06 1 650 80 80 ASP HB2 H 3.5 0.06 2 651 80 80 ASP HB3 H 2.7 0.06 2 652 80 80 ASP CA C 52.011 0.55 1 653 80 80 ASP CB C 42.57 0.55 1 654 80 80 ASP N N 120.668 0.55 1 655 81 81 SER HA H 4.215 0.06 1 656 81 81 SER HB2 H 4.031 0.06 2 657 81 81 SER HB3 H 3.991 0.06 2 658 81 81 SER CA C 60.73 0.55 1 659 81 81 SER CB C 63.159 0.55 1 660 82 82 LYS H H 8.155 0.06 1 661 82 82 LYS HA H 4.541 0.06 1 662 82 82 LYS HB2 H 1.999 0.06 2 663 82 82 LYS HB3 H 1.999 0.06 2 664 82 82 LYS HD2 H 1.689 0.06 2 665 82 82 LYS HD3 H 1.689 0.06 2 666 82 82 LYS HE2 H 2.999 0.06 2 667 82 82 LYS HE3 H 2.999 0.06 2 668 82 82 LYS HG2 H 1.446 0.06 2 669 82 82 LYS HG3 H 1.446 0.06 2 670 82 82 LYS CA C 55.6 0.55 1 671 82 82 LYS CB C 32.566 0.55 1 672 82 82 LYS CD C 28.79 0.55 1 673 82 82 LYS CE C 42.29 0.55 1 674 82 82 LYS CG C 24.954 0.55 1 675 82 82 LYS N N 120.795 0.55 1 676 83 83 GLY H H 8.082 0.06 1 677 83 83 GLY HA2 H 4.236 0.06 2 678 83 83 GLY HA3 H 3.586 0.06 2 679 83 83 GLY CA C 45.773 0.55 1 680 83 83 GLY N N 108.810 0.55 1 681 84 84 LEU H H 8.750 0.06 1 682 84 84 LEU HA H 4.300 0.06 1 683 84 84 LEU HB2 H 1.599 0.06 2 684 84 84 LEU HB3 H 1.599 0.06 2 685 84 84 LEU HD1 H 0.856 0.06 2 686 84 84 LEU HD2 H 0.856 0.06 2 687 84 84 LEU HG H 1.598 0.06 1 688 84 84 LEU CA C 55.431 0.55 1 689 84 84 LEU CB C 41.652 0.55 1 690 84 84 LEU CD1 C 24.0 0.55 2 691 84 84 LEU CD2 C 24.0 0.55 2 692 84 84 LEU CG C 27.57 0.55 1 693 84 84 LEU N N 124.566 0.55 1 694 85 85 GLU H H 8.132 0.06 1 695 85 85 GLU HA H 4.413 0.06 1 696 85 85 GLU HB2 H 1.964 0.06 2 697 85 85 GLU HB3 H 1.747 0.06 2 698 85 85 GLU HG2 H 2.405 0.06 2 699 85 85 GLU HG3 H 2.029 0.06 2 700 85 85 GLU CA C 57.097 0.55 1 701 85 85 GLU CB C 31.731 0.55 1 702 85 85 GLU CG C 36.751 0.55 1 703 85 85 GLU N N 119.846 0.55 1 704 86 86 TYR H H 9.524 0.06 1 705 86 86 TYR HA H 4.87 0.06 1 706 86 86 TYR HB2 H 3.53 0.06 2 707 86 86 TYR HB3 H 3.53 0.06 2 708 86 86 TYR HD1 H 7.328 0.06 3 709 86 86 TYR HD2 H 7.328 0.06 3 710 86 86 TYR HE1 H 6.86 0.06 3 711 86 86 TYR HE2 H 6.86 0.06 3 712 86 86 TYR CA C 55.979 0.55 1 713 86 86 TYR CB C 39.282 0.55 1 714 86 86 TYR CD1 C 133.804 0.55 3 715 86 86 TYR CD2 C 133.804 0.55 3 716 86 86 TYR CE1 C 118.34 0.55 3 717 86 86 TYR CE2 C 118.34 0.55 3 718 86 86 TYR N N 123.234 0.55 1 719 87 87 PRO HA H 4.779 0.06 1 720 87 87 PRO HB2 H 2.07 0.06 2 721 87 87 PRO HB3 H 1.954 0.06 2 722 87 87 PRO HD2 H 3.66 0.06 2 723 87 87 PRO HD3 H 3.514 0.06 2 724 87 87 PRO HG2 H 2.193 0.06 2 725 87 87 PRO HG3 H 1.887 0.06 2 726 87 87 PRO CA C 61.621 0.55 1 727 87 87 PRO CB C 30.42 0.55 1 728 87 87 PRO CD C 50.5 0.55 1 729 87 87 PRO CG C 27.865 0.55 1 730 88 88 ALA H H 9.484 0.06 1 731 88 88 ALA HA H 4.432 0.06 1 732 88 88 ALA HB H 1.792 0.06 1 733 88 88 ALA CA C 52.784 0.55 1 734 88 88 ALA CB C 20.028 0.55 1 735 88 88 ALA N N 132.614 0.55 1 736 89 89 VAL H H 7.949 0.06 1 737 89 89 VAL HA H 4.580 0.06 1 738 89 89 VAL HB H 1.534 0.06 1 739 89 89 VAL HG1 H 0.882 0.06 2 740 89 89 VAL HG2 H 0.802 0.06 2 741 89 89 VAL CA C 61.302 0.55 1 742 89 89 VAL CB C 34.567 0.55 1 743 89 89 VAL CG1 C 21.25 0.55 2 744 89 89 VAL CG2 C 20.6 0.55 2 745 89 89 VAL N N 121.500 0.55 1 746 90 90 VAL H H 8.823 0.06 1 747 90 90 VAL HA H 5.251 0.06 1 748 90 90 VAL HB H 1.878 0.06 1 749 90 90 VAL HG1 H 0.920 0.06 2 750 90 90 VAL HG2 H 0.920 0.06 2 751 90 90 VAL CA C 60.949 0.55 1 752 90 90 VAL CB C 33.696 0.55 1 753 90 90 VAL CG1 C 21.76 0.55 2 754 90 90 VAL CG2 C 21.76 0.55 2 755 90 90 VAL N N 126.842 0.55 1 756 91 91 GLU H H 9.033 0.06 1 757 91 91 GLU HA H 4.632 0.06 1 758 91 91 GLU HB2 H 1.894 0.06 2 759 91 91 GLU HB3 H 1.894 0.06 2 760 91 91 GLU HG2 H 2.088 0.06 2 761 91 91 GLU HG3 H 2.018 0.06 2 762 91 91 GLU CA C 53.742 0.55 1 763 91 91 GLU CB C 33.814 0.55 1 764 91 91 GLU CG C 35.99 0.55 1 765 91 91 GLU N N 124.982 0.55 1 766 92 92 PHE H H 8.412 0.06 1 767 92 92 PHE HA H 5.099 0.06 1 768 92 92 PHE HB2 H 3.19 0.06 2 769 92 92 PHE HB3 H 2.998 0.06 2 770 92 92 PHE HD1 H 7.26 0.06 3 771 92 92 PHE HD2 H 7.26 0.06 3 772 92 92 PHE CA C 56.735 0.55 1 773 92 92 PHE CB C 39.7 0.55 1 774 92 92 PHE CD1 C 131.8 0.55 3 775 92 92 PHE CD2 C 131.9 0.55 3 776 92 92 PHE N N 119.445 0.55 1 777 93 93 ALA H H 8.76 0.06 1 778 93 93 ALA HA H 4.65 0.06 1 779 93 93 ALA HB H 1.21 0.06 1 780 93 93 ALA CA C 50.21 0.55 1 781 93 93 ALA CB C 19.05 0.55 1 782 93 93 ALA N N 127.94 0.55 1 783 94 94 PRO HA H 4.35 0.06 1 784 94 94 PRO HB2 H 2.106 0.06 2 785 94 94 PRO HB3 H 1.702 0.06 2 786 94 94 PRO HD2 H 3.495 0.06 2 787 94 94 PRO HD3 H 3.452 0.06 2 788 94 94 PRO HG2 H 1.852 0.06 2 789 94 94 PRO HG3 H 1.852 0.06 2 790 94 94 PRO CA C 62.98 0.55 1 791 94 94 PRO CB C 31.734 0.55 1 792 94 94 PRO CD C 50.57 0.55 1 793 94 94 PRO CG C 27.33 0.55 1 794 95 95 PHE H H 8.091 0.06 1 795 95 95 PHE HA H 4.504 0.06 1 796 95 95 PHE HB2 H 2.962 0.06 2 797 95 95 PHE HB3 H 2.962 0.06 2 798 95 95 PHE HD1 H 7.063 0.06 3 799 95 95 PHE HD2 H 7.063 0.06 3 800 95 95 PHE CA C 57.314 0.55 1 801 95 95 PHE CB C 39.422 0.55 1 802 95 95 PHE CD1 C 131.69 0.55 3 803 95 95 PHE CD2 C 131.69 0.55 3 804 95 95 PHE N N 119.403 0.55 1 805 96 96 GLN H H 7.962 0.06 1 806 96 96 GLN HA H 4.176 0.06 1 807 96 96 GLN HB2 H 1.952 0.06 2 808 96 96 GLN HB3 H 1.768 0.06 2 809 96 96 GLN HE21 H 7.53 0.06 2 810 96 96 GLN HE22 H 7.12 0.06 2 811 96 96 GLN HG2 H 2.348 0.06 2 812 96 96 GLN HG3 H 2.136 0.06 2 813 96 96 GLN CA C 55.624 0.55 1 814 96 96 GLN CB C 29.899 0.55 1 815 96 96 GLN CG C 33.80 0.55 1 816 96 96 GLN N N 122.670 0.55 1 817 96 96 GLN NE2 N 112.8 0.55 1 818 97 97 LYS H H 7.783 0.06 1 819 97 97 LYS HA H 3.992 0.06 1 820 97 97 LYS HB2 H 1.69 0.06 2 821 97 97 LYS HB3 H 1.568 0.06 2 822 97 97 LYS HD2 H 1.573 0.06 2 823 97 97 LYS HD3 H 1.573 0.06 2 824 97 97 LYS HE2 H 2.87 0.06 2 825 97 97 LYS HE3 H 2.87 0.06 2 826 97 97 LYS HG2 H 1.251 0.06 2 827 97 97 LYS HG3 H 1.251 0.06 2 828 97 97 LYS CA C 57.732 0.55 1 829 97 97 LYS CB C 33.809 0.55 1 830 97 97 LYS CD C 29.2 0.55 1 831 97 97 LYS CE C 42.15 0.55 1 832 97 97 LYS CG C 24.89 0.55 1 833 97 97 LYS N N 127.851 0.55 1 stop_ save_