data_16818 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Solution structure of a novel Ubiquitin-binding domain from Human PLAA (PUBD, Gly76-Pro77 trans isomer) ; _BMRB_accession_number 16818 _BMRB_flat_file_name bmr16818.str _Entry_type original _Submission_date 2010-04-01 _Accession_date 2010-04-01 _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 Fu Qing-Shan . . 2 Zhou Chen-Jie . . 3 Gao Hong-Chang . . 4 Lin Dong-Hai . . 5 Hu Hong-Yu . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 398 "13C chemical shifts" 221 "15N chemical shifts" 87 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2010-05-11 original author . stop_ _Original_release_date 2010-05-11 save_ ############################# # Citation for this entry # ############################# save_citations _Saveframe_category entry_citation _Citation_full . _Citation_title 'Structural basis for ubiquitin recognition by a novel domain from human phospholipase A2-activating protein' _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 19423704 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Fu Qing-Shan . . 2 Zhou Chen-Jie . . 3 Gao Hong-Chang . . 4 Jiang Ya-Jun . . 5 Zhou Zi-Ren . . 6 Hong Jing . . 7 Yao Wen-Ming . . 8 Song Ai-Xin . . 9 Lin Dong-Hai . . 10 Hu Hong-Yu . . stop_ _Journal_abbreviation 'J. Biol. Chem.' _Journal_volume 284 _Journal_issue 28 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 19043 _Page_last 19052 _Year 2009 _Details . save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name PFUC_trans _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label PFUC_trans $PFUC_trans 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_PFUC_trans _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common PFUC_trans _Molecular_mass 89.094 _Mol_thiol_state 'not present' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 80 _Mol_residue_sequence ; ANQQTSGKVLYEGKEFDYVF SIDVNEGGPSYKLPYNTSDD PWLTAYNFLQKNDLNPMFLD QVAKFIIDNTKGQMLGLGNP ; loop_ _Residue_seq_code _Residue_author_seq_code _Residue_label 1 49 ALA 2 50 ASN 3 51 GLN 4 52 GLN 5 53 THR 6 54 SER 7 55 GLY 8 56 LYS 9 57 VAL 10 58 LEU 11 59 TYR 12 60 GLU 13 61 GLY 14 62 LYS 15 63 GLU 16 64 PHE 17 65 ASP 18 66 TYR 19 67 VAL 20 68 PHE 21 69 SER 22 70 ILE 23 71 ASP 24 72 VAL 25 73 ASN 26 74 GLU 27 75 GLY 28 76 GLY 29 77 PRO 30 78 SER 31 79 TYR 32 80 LYS 33 81 LEU 34 82 PRO 35 83 TYR 36 84 ASN 37 85 THR 38 86 SER 39 87 ASP 40 88 ASP 41 89 PRO 42 90 TRP 43 91 LEU 44 92 THR 45 93 ALA 46 94 TYR 47 95 ASN 48 96 PHE 49 97 LEU 50 98 GLN 51 99 LYS 52 100 ASN 53 101 ASP 54 102 LEU 55 103 ASN 56 104 PRO 57 105 MET 58 106 PHE 59 107 LEU 60 108 ASP 61 109 GLN 62 110 VAL 63 111 ALA 64 112 LYS 65 113 PHE 66 114 ILE 67 115 ILE 68 116 ASP 69 117 ASN 70 118 THR 71 119 LYS 72 120 GLY 73 121 GLN 74 122 MET 75 123 LEU 76 124 GLY 77 125 LEU 78 126 GLY 79 127 ASN 80 128 PRO stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2015-07-15 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 BMRB 16848 PFUC-cis 100.00 80 100.00 100.00 3.76e-50 PDB 2K89 "Solution Structure Of A Novel Ubiquitin-Binding Domain From Human Plaa (Pfuc, Gly76-Pro77 Cis Isomer)" 100.00 80 100.00 100.00 3.76e-50 PDB 2K8A "Solution Structure Of A Novel Ubiquitin-Binding Domain From Human Plaa (Pfuc, Gly76-Pro77 Trans Isomer)" 100.00 80 100.00 100.00 3.76e-50 PDB 2K8B "Solution Structure Of Plaa Family Ubiquitin Binding Domain (Pfuc) Cis Isomer In Complex With Ubiquitin" 100.00 80 100.00 100.00 3.76e-50 PDB 2K8C "Solution Structure Of Plaa Family Ubiquitin Binding Domain (Pfuc) Trans Isomer In Complex With Ubiquitin" 100.00 80 100.00 100.00 3.76e-50 DBJ BAA91803 "unnamed protein product [Homo sapiens]" 100.00 795 100.00 100.00 5.00e-50 DBJ BAA92105 "unnamed protein product [Homo sapiens]" 100.00 544 100.00 100.00 2.10e-50 DBJ BAD97264 "Hypothetical protein DKFZp434J1217 (PLAA protein) (OTTHUMP00000045176) variant [Homo sapiens]" 100.00 748 100.00 100.00 1.55e-49 DBJ BAE87781 "unnamed protein product [Macaca fascicularis]" 100.00 795 98.75 100.00 3.49e-49 DBJ BAG10899 "phospholipase A2-activating protein [synthetic construct]" 100.00 795 100.00 100.00 5.41e-50 EMBL CAB42881 "phospholipase A2 activating protein [Homo sapiens]" 100.00 738 100.00 100.00 7.76e-50 EMBL CAB63739 "hypothetical protein [Homo sapiens]" 100.00 795 100.00 100.00 5.41e-50 GB AAD03030 "phospholipase A2-activating protein [Homo sapiens]" 100.00 738 100.00 100.00 7.76e-50 GB AAD42075 "phospholipase A2 activating protein [Homo sapiens]" 100.00 649 98.75 98.75 1.19e-48 GB AAH32551 "Phospholipase A2-activating protein [Homo sapiens]" 100.00 795 100.00 100.00 5.41e-50 GB ABW03596 "phospholipase A2-activating protein [synthetic construct]" 100.00 795 100.00 100.00 5.41e-50 GB ABW03904 "phospholipase A2-activating protein [synthetic construct]" 100.00 795 100.00 100.00 5.41e-50 REF NP_001026859 "phospholipase A-2-activating protein [Homo sapiens]" 100.00 795 100.00 100.00 5.41e-50 REF NP_001247477 "phospholipase A-2-activating protein [Macaca mulatta]" 100.00 795 100.00 100.00 8.17e-50 REF NP_001270166 "uncharacterized protein LOC101867031 [Macaca fascicularis]" 100.00 795 98.75 100.00 3.49e-49 REF XP_002708092 "PREDICTED: phospholipase A-2-activating protein [Oryctolagus cuniculus]" 98.75 795 100.00 100.00 1.11e-48 REF XP_002743032 "PREDICTED: phospholipase A-2-activating protein [Callithrix jacchus]" 100.00 795 100.00 100.00 1.05e-49 SP Q9Y263 "RecName: Full=Phospholipase A-2-activating protein; Short=PLA2P; Short=PLAP" 100.00 795 100.00 100.00 5.41e-50 stop_ save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species _Gene_mnemonic $PFUC_trans Human 9606 Eukaryota Metazoa Homo sapiens PLAA 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 $PFUC_trans 'recombinant technology' . Escherichia coli BL21(DE3) pET-32M stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Saveframe_category sample _Sample_type solution _Details '20mM phosphate, 50mM NaCl, 90% H2O, 10% D2O' loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $PFUC_trans 1 mM '[U-100% 13C; U-100% 15N]' NaCl 50 mM 'natural abundance' phosphate 20 mM 'natural abundance' H2O 90 % 'natural abundance' D2O 100 % 'natural abundance' stop_ save_ save_sample_2 _Saveframe_category sample _Sample_type solution _Details '20mM phosphate, 50mM NaCl, 100% D2O' loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $PFUC_trans 1 mM '[U-100% 13C; U-100% 15N]' NaCl 50 mM 'natural abundance' phosphate 20 mM 'natural abundance' D2O 100 % '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 refinement stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Varian _Model Unity _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_3D_CBCA(CO)NH_2 _Saveframe_category NMR_applied_experiment _Experiment_name '3D CBCA(CO)NH' _Sample_label $sample_1 save_ save_3D_C(CO)NH_3 _Saveframe_category NMR_applied_experiment _Experiment_name '3D C(CO)NH' _Sample_label $sample_1 save_ save_3D_HNCO_4 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCO' _Sample_label $sample_1 save_ save_3D_HNCACB_5 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCACB' _Sample_label $sample_1 save_ save_3D_H(CCO)NH_6 _Saveframe_category NMR_applied_experiment _Experiment_name '3D H(CCO)NH' _Sample_label $sample_1 save_ save_3D_HNHA_7 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNHA' _Sample_label $sample_1 save_ save_3D_1H-15N_NOESY_8 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-15N NOESY' _Sample_label $sample_1 save_ save_3D_HCCH-TOCSY_9 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HCCH-TOCSY' _Sample_label $sample_2 save_ save_3D_1H-13C_NOESY_10 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-13C NOESY' _Sample_label $sample_2 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' 50 . mM pH 6.5 . 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 . 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 . C 13 . ppm . . . . . . . H 1 . ppm . . . . . . . N 15 . ppm . . . . . . 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 . _Sample_conditions_label $sample_conditions_1 _Chem_shift_reference_set_label $chemical_shift_reference_1 _Mol_system_component_name PFUC_trans _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 49 1 ALA H H 8.538 0.003 1 2 49 1 ALA HA H 4.377 0.000 1 3 49 1 ALA HB H 1.435 0.000 1 4 49 1 ALA CA C 52.967 0.000 1 5 49 1 ALA CB C 19.232 0.152 1 6 49 1 ALA N N 125.884 0.036 1 7 50 2 ASN H H 8.381 0.004 1 8 50 2 ASN HD21 H 7.598 0.003 2 9 50 2 ASN HD22 H 6.939 0.004 2 10 50 2 ASN CA C 53.364 0.012 1 11 50 2 ASN CB C 38.758 0.017 1 12 50 2 ASN N N 117.439 0.022 1 13 50 2 ASN ND2 N 112.410 0.040 1 14 51 3 GLN H H 8.293 0.003 1 15 51 3 GLN HA H 4.783 0.000 1 16 51 3 GLN HB2 H 2.019 0.000 2 17 51 3 GLN HE21 H 7.514 0.004 2 18 51 3 GLN HE22 H 6.862 0.006 2 19 51 3 GLN CA C 56.091 0.014 1 20 51 3 GLN CB C 29.499 0.036 1 21 51 3 GLN CG C 33.846 0.010 1 22 51 3 GLN N N 120.554 0.047 1 23 51 3 GLN NE2 N 111.967 0.077 1 24 52 4 GLN H H 8.481 0.004 1 25 52 4 GLN HA H 4.372 0.000 1 26 52 4 GLN HB2 H 2.076 0.000 2 27 52 4 GLN HG2 H 2.392 0.000 2 28 52 4 GLN CA C 56.034 0.000 1 29 52 4 GLN CB C 29.600 0.000 1 30 52 4 GLN CG C 33.911 0.000 1 31 52 4 GLN N N 121.707 0.045 1 32 53 5 THR H H 8.308 0.002 1 33 53 5 THR HA H 4.411 0.018 1 34 53 5 THR HB H 4.235 0.010 1 35 53 5 THR HG2 H 1.194 0.011 1 36 53 5 THR CA C 61.854 0.083 1 37 53 5 THR CB C 69.624 0.050 1 38 53 5 THR CG2 C 21.390 0.158 1 39 53 5 THR N N 115.778 0.073 1 40 54 6 SER H H 8.389 0.003 1 41 54 6 SER HA H 4.486 0.027 1 42 54 6 SER HB2 H 3.890 0.009 2 43 54 6 SER CA C 58.349 0.097 1 44 54 6 SER CB C 64.118 0.124 1 45 54 6 SER N N 118.175 0.040 1 46 55 7 GLY H H 8.380 0.004 1 47 55 7 GLY HA2 H 3.945 0.025 2 48 55 7 GLY CA C 45.118 0.018 1 49 55 7 GLY N N 110.982 0.030 1 50 56 8 LYS H H 7.999 0.014 1 51 56 8 LYS HA H 4.495 0.026 1 52 56 8 LYS HB2 H 1.584 0.025 2 53 56 8 LYS HD2 H 1.535 0.004 2 54 56 8 LYS HD3 H 1.244 0.009 2 55 56 8 LYS HE2 H 2.829 0.006 2 56 56 8 LYS HG2 H 1.260 0.014 2 57 56 8 LYS CA C 55.285 0.021 1 58 56 8 LYS CB C 34.261 0.033 1 59 56 8 LYS CD C 28.817 0.117 1 60 56 8 LYS CE C 42.249 0.059 1 61 56 8 LYS CG C 25.084 0.019 1 62 56 8 LYS N N 119.585 0.024 1 63 57 9 VAL H H 9.115 0.003 1 64 57 9 VAL HA H 4.258 0.006 1 65 57 9 VAL HB H 1.890 0.004 1 66 57 9 VAL HG1 H 0.939 0.005 2 67 57 9 VAL HG2 H 0.870 0.008 2 68 57 9 VAL CA C 61.214 0.082 1 69 57 9 VAL CB C 34.218 0.050 1 70 57 9 VAL CG1 C 21.960 0.254 2 71 57 9 VAL CG2 C 20.694 0.048 2 72 57 9 VAL N N 121.215 0.042 1 73 58 10 LEU H H 8.338 0.002 1 74 58 10 LEU HA H 5.001 0.010 1 75 58 10 LEU HB2 H 1.606 0.017 2 76 58 10 LEU HB3 H 1.547 0.008 2 77 58 10 LEU HD1 H 0.767 0.012 2 78 58 10 LEU HG H 1.533 0.007 1 79 58 10 LEU CA C 54.265 0.193 1 80 58 10 LEU CB C 43.557 0.090 1 81 58 10 LEU CD1 C 24.423 0.163 2 82 58 10 LEU CG C 27.487 0.111 1 83 58 10 LEU N N 126.530 0.042 1 84 59 11 TYR H H 9.593 0.013 1 85 59 11 TYR HA H 4.612 0.006 1 86 59 11 TYR HB2 H 3.025 0.000 2 87 59 11 TYR HB3 H 2.965 0.012 2 88 59 11 TYR HD1 H 7.096 0.012 3 89 59 11 TYR HE1 H 7.580 0.003 3 90 59 11 TYR CA C 58.685 0.029 1 91 59 11 TYR CB C 41.357 0.051 1 92 59 11 TYR N N 125.802 0.031 1 93 60 12 GLU H H 8.966 0.009 1 94 60 12 GLU HA H 3.589 0.011 1 95 60 12 GLU HB2 H 2.007 0.007 2 96 60 12 GLU HB3 H 1.734 0.016 2 97 60 12 GLU HG2 H 1.571 0.010 2 98 60 12 GLU HG3 H 1.385 0.009 2 99 60 12 GLU CA C 56.974 0.073 1 100 60 12 GLU CB C 27.372 0.117 1 101 60 12 GLU CG C 36.076 0.037 1 102 60 12 GLU N N 126.307 0.039 1 103 61 13 GLY H H 8.392 0.011 1 104 61 13 GLY HA2 H 4.142 0.006 2 105 61 13 GLY HA3 H 3.560 0.005 2 106 61 13 GLY CA C 45.662 0.109 1 107 61 13 GLY N N 130.756 0.022 1 108 62 14 LYS H H 7.945 0.012 1 109 62 14 LYS HA H 4.574 0.007 1 110 62 14 LYS HB2 H 1.890 0.008 2 111 62 14 LYS HB3 H 1.588 0.007 2 112 62 14 LYS HD2 H 1.735 0.006 2 113 62 14 LYS HE2 H 3.028 0.009 2 114 62 14 LYS HG2 H 1.444 0.014 2 115 62 14 LYS HG3 H 1.290 0.009 2 116 62 14 LYS CA C 54.455 0.055 1 117 62 14 LYS CB C 35.811 0.034 1 118 62 14 LYS CD C 28.988 0.099 1 119 62 14 LYS CE C 42.202 0.062 1 120 62 14 LYS CG C 25.092 0.022 1 121 62 14 LYS N N 122.066 0.035 1 122 63 15 GLU H H 8.106 0.005 1 123 63 15 GLU HA H 4.696 0.015 1 124 63 15 GLU HB2 H 1.773 0.007 2 125 63 15 GLU HB3 H 1.565 0.009 2 126 63 15 GLU HG2 H 2.200 0.011 2 127 63 15 GLU HG3 H 1.891 0.008 2 128 63 15 GLU CA C 55.804 0.058 1 129 63 15 GLU CB C 31.721 0.069 1 130 63 15 GLU CG C 37.268 0.089 1 131 63 15 GLU N N 119.517 0.063 1 132 64 16 PHE H H 9.173 0.008 1 133 64 16 PHE HA H 5.421 0.024 1 134 64 16 PHE HB2 H 3.144 0.010 2 135 64 16 PHE HB3 H 2.360 0.007 2 136 64 16 PHE HD1 H 7.112 0.005 3 137 64 16 PHE CA C 56.494 0.075 1 138 64 16 PHE CB C 44.156 0.222 1 139 64 16 PHE N N 122.130 0.031 1 140 65 17 ASP H H 8.503 0.004 1 141 65 17 ASP HA H 4.402 0.010 1 142 65 17 ASP HB2 H 3.095 0.006 2 143 65 17 ASP HB3 H 2.554 0.006 2 144 65 17 ASP CA C 58.131 0.073 1 145 65 17 ASP CB C 42.883 0.078 1 146 65 17 ASP N N 120.503 0.020 1 147 66 18 TYR H H 8.425 0.007 1 148 66 18 TYR HA H 4.415 0.004 1 149 66 18 TYR HB2 H 2.165 0.007 2 150 66 18 TYR HB3 H 1.737 0.004 2 151 66 18 TYR HD1 H 6.977 0.018 3 152 66 18 TYR CA C 56.662 0.026 1 153 66 18 TYR CB C 43.689 0.034 1 154 66 18 TYR N N 113.399 0.025 1 155 67 19 VAL H H 8.326 0.003 1 156 67 19 VAL HA H 3.855 0.007 1 157 67 19 VAL HB H 1.787 0.016 1 158 67 19 VAL HG1 H 0.579 0.008 2 159 67 19 VAL HG2 H 0.352 0.010 2 160 67 19 VAL CA C 63.074 0.117 1 161 67 19 VAL CB C 33.165 0.101 1 162 67 19 VAL CG1 C 21.724 0.232 2 163 67 19 VAL N N 119.177 0.073 1 164 68 20 PHE H H 8.125 0.011 1 165 68 20 PHE HA H 4.889 0.006 1 166 68 20 PHE HB2 H 3.242 0.006 2 167 68 20 PHE HB3 H 2.720 0.005 2 168 68 20 PHE HD1 H 7.244 0.008 3 169 68 20 PHE CA C 56.833 0.058 1 170 68 20 PHE CB C 41.100 0.062 1 171 68 20 PHE N N 126.483 0.030 1 172 69 21 SER H H 8.698 0.004 1 173 69 21 SER HA H 5.142 0.011 1 174 69 21 SER HB2 H 3.696 0.022 2 175 69 21 SER CA C 57.492 0.080 1 176 69 21 SER CB C 63.745 0.087 1 177 69 21 SER N N 116.843 0.026 1 178 70 22 ILE H H 9.002 0.010 1 179 70 22 ILE HA H 4.171 0.006 1 180 70 22 ILE HB H 0.981 0.017 1 181 70 22 ILE HD1 H -0.058 0.011 1 182 70 22 ILE HG12 H 0.561 0.010 2 183 70 22 ILE HG13 H 0.405 0.042 2 184 70 22 ILE HG2 H 0.387 0.012 1 185 70 22 ILE CA C 58.728 0.034 1 186 70 22 ILE CB C 41.068 0.029 1 187 70 22 ILE CD1 C 13.329 0.043 1 188 70 22 ILE CG1 C 27.673 0.025 1 189 70 22 ILE CG2 C 16.147 0.077 1 190 70 22 ILE N N 124.935 0.065 1 191 71 23 ASP H H 8.131 0.005 1 192 71 23 ASP HA H 5.115 0.000 1 193 71 23 ASP HB2 H 2.575 0.010 2 194 71 23 ASP HB3 H 2.443 0.012 2 195 71 23 ASP CA C 52.499 0.000 1 196 71 23 ASP CB C 41.101 0.005 1 197 71 23 ASP N N 127.240 0.020 1 198 72 24 VAL H H 8.235 0.000 1 199 72 24 VAL HA H 3.855 0.006 1 200 72 24 VAL HB H 1.645 0.007 1 201 72 24 VAL HG1 H 0.655 0.003 2 202 72 24 VAL HG2 H 0.361 0.005 2 203 72 24 VAL CA C 62.631 0.089 1 204 72 24 VAL CB C 32.027 0.041 1 205 72 24 VAL CG1 C 20.442 0.155 2 206 72 24 VAL N N 118.814 0.000 1 207 73 25 ASN H H 8.096 0.006 1 208 73 25 ASN HA H 4.720 0.008 1 209 73 25 ASN HB2 H 2.846 0.011 2 210 73 25 ASN HB3 H 2.662 0.007 2 211 73 25 ASN CA C 52.951 0.084 1 212 73 25 ASN CB C 39.888 0.019 1 213 73 25 ASN N N 116.540 0.021 1 214 74 26 GLU H H 8.639 0.006 1 215 74 26 GLU HA H 4.223 0.001 1 216 74 26 GLU HB2 H 2.015 0.010 2 217 74 26 GLU HG2 H 2.277 0.003 2 218 74 26 GLU CA C 57.483 0.055 1 219 74 26 GLU CB C 29.468 0.000 1 220 74 26 GLU CG C 36.276 0.059 1 221 74 26 GLU N N 122.630 0.025 1 222 75 27 GLY H H 8.893 0.004 1 223 75 27 GLY HA2 H 4.198 0.007 2 224 75 27 GLY HA3 H 3.799 0.006 2 225 75 27 GLY CA C 45.487 0.037 1 226 75 27 GLY N N 113.478 0.028 1 227 76 28 GLY H H 8.143 0.004 1 228 76 28 GLY HA2 H 4.418 0.005 2 229 76 28 GLY HA3 H 3.902 0.006 2 230 76 28 GLY CA C 44.351 0.015 1 231 76 28 GLY N N 109.020 0.040 1 232 77 29 PRO HA H 4.415 0.006 1 233 77 29 PRO HB2 H 2.117 0.009 2 234 77 29 PRO HB3 H 1.605 0.009 2 235 77 29 PRO HD2 H 3.604 0.010 2 236 77 29 PRO HD3 H 3.604 0.010 2 237 77 29 PRO HG2 H 1.931 0.000 2 238 77 29 PRO HG3 H 1.769 0.004 2 239 77 29 PRO CA C 62.646 0.031 1 240 77 29 PRO CB C 32.017 0.020 1 241 77 29 PRO CD C 49.912 0.176 1 242 77 29 PRO CG C 26.637 0.111 1 243 78 30 SER H H 7.969 0.002 1 244 78 30 SER HA H 4.718 0.006 1 245 78 30 SER HB2 H 3.681 0.002 2 246 78 30 SER HB3 H 3.565 0.007 2 247 78 30 SER CA C 57.786 0.034 1 248 78 30 SER CB C 64.068 0.153 1 249 78 30 SER N N 114.529 0.016 1 250 79 31 TYR H H 8.863 0.002 1 251 79 31 TYR HA H 4.714 0.001 1 252 79 31 TYR HB2 H 3.141 0.000 2 253 79 31 TYR HB3 H 2.884 0.000 2 254 79 31 TYR HD1 H 7.145 0.000 3 255 79 31 TYR HD2 H 7.145 0.000 3 256 79 31 TYR CA C 57.400 0.000 1 257 79 31 TYR N N 122.610 0.022 1 258 80 32 LYS H H 8.660 0.000 1 259 80 32 LYS HA H 5.078 0.006 1 260 80 32 LYS HB2 H 1.890 0.007 2 261 80 32 LYS HB3 H 1.050 0.008 2 262 80 32 LYS HD2 H 1.573 0.014 2 263 80 32 LYS HD3 H 1.475 0.002 2 264 80 32 LYS HE2 H 2.947 0.006 2 265 80 32 LYS HG2 H 1.450 0.016 2 266 80 32 LYS CA C 54.270 0.108 1 267 80 32 LYS CB C 33.402 0.043 1 268 80 32 LYS CD C 28.666 0.040 1 269 80 32 LYS CE C 42.497 0.095 1 270 80 32 LYS CG C 24.822 0.097 1 271 80 32 LYS N N 119.781 0.000 1 272 81 33 LEU H H 8.769 0.008 1 273 81 33 LEU HA H 4.650 0.006 1 274 81 33 LEU HB2 H 1.511 0.008 2 275 81 33 LEU HB3 H 0.522 0.013 2 276 81 33 LEU HD1 H 0.300 0.011 2 277 81 33 LEU HD2 H 0.131 0.008 2 278 81 33 LEU HG H 1.248 0.009 1 279 81 33 LEU CA C 51.307 0.152 1 280 81 33 LEU CB C 44.684 0.108 1 281 81 33 LEU CD1 C 23.996 0.154 2 282 81 33 LEU CG C 27.551 0.175 1 283 81 33 LEU N N 124.156 0.026 1 284 82 34 PRO HA H 4.613 0.010 1 285 82 34 PRO HB2 H 0.402 0.014 2 286 82 34 PRO HB3 H -0.026 0.009 2 287 82 34 PRO HD2 H 3.626 0.009 2 288 82 34 PRO HD3 H 2.956 0.008 2 289 82 34 PRO HG2 H 1.604 0.013 2 290 82 34 PRO HG3 H 1.131 0.009 2 291 82 34 PRO CA C 61.417 0.036 1 292 82 34 PRO CB C 29.921 0.084 1 293 82 34 PRO CD C 50.477 0.167 1 294 82 34 PRO CG C 27.076 0.127 1 295 83 35 TYR H H 8.923 0.008 1 296 83 35 TYR HA H 4.904 0.006 1 297 83 35 TYR HB2 H 2.989 0.004 2 298 83 35 TYR HB3 H 2.450 0.014 2 299 83 35 TYR HD1 H 7.126 0.020 3 300 83 35 TYR HD2 H 7.141 0.000 3 301 83 35 TYR HE1 H 7.139 0.005 3 302 83 35 TYR CA C 58.527 0.053 1 303 83 35 TYR CB C 43.215 0.045 1 304 83 35 TYR N N 122.405 0.032 1 305 84 36 ASN H H 7.566 0.007 1 306 84 36 ASN HA H 5.623 0.356 1 307 84 36 ASN HB2 H 2.631 0.013 2 308 84 36 ASN HD21 H 7.893 0.004 2 309 84 36 ASN HD22 H 6.581 0.013 2 310 84 36 ASN CA C 51.246 0.039 1 311 84 36 ASN CB C 40.289 0.245 1 312 84 36 ASN N N 125.954 0.021 1 313 84 36 ASN ND2 N 114.127 0.286 1 314 85 37 THR H H 9.755 0.013 1 315 85 37 THR HA H 4.032 0.006 1 316 85 37 THR HB H 4.421 0.008 1 317 85 37 THR HG2 H 1.593 0.008 1 318 85 37 THR CA C 65.175 0.057 1 319 85 37 THR CB C 68.929 0.086 1 320 85 37 THR CG2 C 22.576 0.023 1 321 85 37 THR N N 113.910 0.018 1 322 86 38 SER H H 7.737 0.011 1 323 86 38 SER HA H 4.283 0.007 1 324 86 38 SER HB2 H 4.068 0.012 2 325 86 38 SER HB3 H 3.831 0.010 2 326 86 38 SER CA C 59.097 0.141 1 327 86 38 SER CB C 63.313 0.106 1 328 86 38 SER N N 112.951 0.040 1 329 87 39 ASP H H 8.145 0.004 1 330 87 39 ASP HA H 4.819 0.014 1 331 87 39 ASP HB2 H 3.100 0.007 2 332 87 39 ASP HB3 H 2.613 0.011 2 333 87 39 ASP CA C 53.744 0.106 1 334 87 39 ASP CB C 41.269 0.061 1 335 87 39 ASP N N 123.340 0.033 1 336 88 40 ASP H H 9.261 0.011 1 337 88 40 ASP HA H 5.111 0.006 1 338 88 40 ASP HB2 H 3.018 0.006 2 339 88 40 ASP CA C 52.318 0.138 1 340 88 40 ASP N N 125.332 0.018 1 341 89 41 PRO HA H 4.122 0.008 1 342 89 41 PRO HB2 H 1.988 0.014 2 343 89 41 PRO HB3 H 1.448 0.008 2 344 89 41 PRO HD2 H 4.380 0.002 2 345 89 41 PRO HD3 H 4.269 0.009 2 346 89 41 PRO HG2 H 2.016 0.007 2 347 89 41 PRO CA C 66.049 0.043 1 348 89 41 PRO CB C 32.354 0.064 1 349 89 41 PRO CD C 51.782 0.054 1 350 89 41 PRO CG C 27.367 0.077 1 351 90 42 TRP H H 8.157 0.009 1 352 90 42 TRP HA H 4.054 0.017 1 353 90 42 TRP HB2 H 3.567 0.012 2 354 90 42 TRP HB3 H 3.329 0.011 2 355 90 42 TRP HE1 H 10.263 0.000 1 356 90 42 TRP HH2 H 6.572 0.000 1 357 90 42 TRP CA C 56.130 0.000 1 358 90 42 TRP CB C 27.802 0.121 1 359 90 42 TRP N N 119.713 0.040 1 360 90 42 TRP NE1 N 129.461 0.000 1 361 91 43 LEU H H 8.318 0.008 1 362 91 43 LEU HA H 4.388 0.011 1 363 91 43 LEU HB2 H 1.949 0.012 2 364 91 43 LEU HD2 H 1.060 0.017 2 365 91 43 LEU HG H 1.870 0.012 1 366 91 43 LEU CA C 57.878 0.036 1 367 91 43 LEU CB C 42.097 0.095 1 368 91 43 LEU CD1 C 24.453 0.109 2 369 91 43 LEU CG C 27.198 0.035 1 370 91 43 LEU N N 122.681 0.033 1 371 92 44 THR H H 8.301 0.007 1 372 92 44 THR HA H 4.114 0.011 1 373 92 44 THR HB H 4.283 0.006 1 374 92 44 THR HG2 H 1.512 0.014 1 375 92 44 THR CA C 67.582 0.039 1 376 92 44 THR CB C 68.663 0.096 1 377 92 44 THR CG2 C 22.199 0.045 1 378 92 44 THR N N 115.061 0.023 1 379 93 45 ALA H H 8.273 0.004 1 380 93 45 ALA HA H 3.871 0.005 1 381 93 45 ALA HB H 1.467 0.006 1 382 93 45 ALA CA C 56.118 0.035 1 383 93 45 ALA CB C 19.449 0.091 1 384 93 45 ALA N N 124.590 0.026 1 385 94 46 TYR H H 8.458 0.008 1 386 94 46 TYR HA H 4.011 0.009 1 387 94 46 TYR HB2 H 3.299 0.005 2 388 94 46 TYR HD1 H 7.197 0.016 3 389 94 46 TYR CA C 62.454 0.059 1 390 94 46 TYR CB C 38.764 0.081 1 391 94 46 TYR N N 119.405 0.031 1 392 95 47 ASN H H 8.584 0.004 1 393 95 47 ASN HA H 4.448 0.008 1 394 95 47 ASN HB2 H 3.086 0.010 2 395 95 47 ASN HB3 H 2.936 0.010 2 396 95 47 ASN HD21 H 7.771 0.013 2 397 95 47 ASN HD22 H 6.993 0.016 2 398 95 47 ASN CA C 56.137 0.050 1 399 95 47 ASN CB C 38.282 0.188 1 400 95 47 ASN N N 118.073 0.020 1 401 95 47 ASN ND2 N 111.025 0.069 1 402 96 48 PHE H H 8.382 0.007 1 403 96 48 PHE HA H 4.357 0.009 1 404 96 48 PHE HB2 H 3.282 0.012 2 405 96 48 PHE HD1 H 7.133 0.004 3 406 96 48 PHE CA C 60.698 0.047 1 407 96 48 PHE CB C 38.944 0.057 1 408 96 48 PHE N N 122.951 0.052 1 409 97 49 LEU H H 8.226 0.005 1 410 97 49 LEU HA H 3.509 0.009 1 411 97 49 LEU HB2 H 1.938 0.009 2 412 97 49 LEU HB3 H 1.238 0.010 2 413 97 49 LEU HD1 H 0.902 0.017 2 414 97 49 LEU HG H 2.255 0.008 1 415 97 49 LEU CA C 58.082 0.040 1 416 97 49 LEU CB C 40.190 0.054 1 417 97 49 LEU CD1 C 24.584 0.148 2 418 97 49 LEU CG C 26.772 0.198 1 419 97 49 LEU N N 121.549 0.035 1 420 98 50 GLN H H 7.707 0.017 1 421 98 50 GLN HA H 4.000 0.006 1 422 98 50 GLN HB2 H 1.773 0.010 2 423 98 50 GLN HE21 H 7.213 0.003 2 424 98 50 GLN HE22 H 6.758 0.004 2 425 98 50 GLN HG2 H 2.234 0.008 2 426 98 50 GLN HG3 H 2.060 0.010 2 427 98 50 GLN CA C 58.752 0.052 1 428 98 50 GLN CB C 28.949 0.069 1 429 98 50 GLN CG C 33.880 0.037 1 430 98 50 GLN N N 117.005 0.030 1 431 98 50 GLN NE2 N 111.599 0.255 1 432 99 51 LYS H H 8.348 0.010 1 433 99 51 LYS HA H 4.003 0.007 1 434 99 51 LYS HB2 H 2.014 0.011 2 435 99 51 LYS HB3 H 1.779 0.006 2 436 99 51 LYS HD2 H 1.760 0.009 2 437 99 51 LYS HE2 H 3.092 0.012 2 438 99 51 LYS HG2 H 1.465 0.012 2 439 99 51 LYS CA C 58.574 0.134 1 440 99 51 LYS CB C 32.470 0.070 1 441 99 51 LYS CD C 29.237 0.000 1 442 99 51 LYS CE C 42.285 0.036 1 443 99 51 LYS CG C 24.598 0.233 1 444 99 51 LYS N N 119.804 0.108 1 445 100 52 ASN H H 6.802 0.012 1 446 100 52 ASN HA H 4.642 0.008 1 447 100 52 ASN HB2 H 2.343 0.010 2 448 100 52 ASN HB3 H 1.539 0.009 2 449 100 52 ASN HD21 H 7.652 0.004 2 450 100 52 ASN HD22 H 6.698 0.058 2 451 100 52 ASN CA C 53.196 0.112 1 452 100 52 ASN CB C 40.222 0.166 1 453 100 52 ASN N N 112.227 0.034 1 454 100 52 ASN ND2 N 112.448 0.052 1 455 101 53 ASP H H 7.614 0.007 1 456 101 53 ASP HA H 4.288 0.008 1 457 101 53 ASP HB2 H 3.034 0.007 2 458 101 53 ASP HB3 H 2.470 0.007 2 459 101 53 ASP CA C 55.252 0.116 1 460 101 53 ASP CB C 39.464 0.173 1 461 101 53 ASP N N 119.118 0.025 1 462 102 54 LEU H H 8.116 0.003 1 463 102 54 LEU HA H 4.552 0.006 1 464 102 54 LEU HB2 H 1.482 0.010 2 465 102 54 LEU HB3 H 1.204 0.008 2 466 102 54 LEU HD1 H 0.684 0.006 2 467 102 54 LEU HD2 H -0.069 0.007 2 468 102 54 LEU HG H 1.041 0.008 1 469 102 54 LEU CA C 52.842 0.056 1 470 102 54 LEU CB C 46.258 0.094 1 471 102 54 LEU CD1 C 22.302 0.165 2 472 102 54 LEU CG C 26.120 0.163 1 473 102 54 LEU N N 117.421 0.019 1 474 103 55 ASN H H 8.083 0.004 1 475 103 55 ASN HA H 4.526 0.009 1 476 103 55 ASN HB2 H 2.672 0.009 2 477 103 55 ASN HB3 H 2.235 0.010 2 478 103 55 ASN HD21 H 7.620 0.001 2 479 103 55 ASN HD22 H 6.922 0.006 2 480 103 55 ASN CA C 51.843 0.045 1 481 103 55 ASN CB C 39.410 0.161 1 482 103 55 ASN N N 120.393 0.062 1 483 103 55 ASN ND2 N 113.846 0.121 1 484 104 56 PRO HA H 4.286 0.006 1 485 104 56 PRO HB2 H 2.426 0.008 2 486 104 56 PRO HB3 H 2.002 0.007 2 487 104 56 PRO HD2 H 3.891 0.012 2 488 104 56 PRO HD3 H 3.735 0.006 2 489 104 56 PRO HG2 H 2.018 0.006 2 490 104 56 PRO CA C 64.768 0.053 1 491 104 56 PRO CB C 32.267 0.068 1 492 104 56 PRO CD C 51.526 0.036 1 493 104 56 PRO CG C 27.230 0.139 1 494 105 57 MET H H 8.627 0.010 1 495 105 57 MET HA H 4.297 0.011 1 496 105 57 MET HB2 H 2.208 0.010 2 497 105 57 MET HB3 H 1.883 0.011 2 498 105 57 MET HG2 H 2.145 0.011 2 499 105 57 MET CA C 57.119 0.001 1 500 105 57 MET CB C 31.509 0.068 1 501 105 57 MET N N 116.865 0.044 1 502 106 58 PHE H H 7.781 0.009 1 503 106 58 PHE HA H 4.820 0.007 1 504 106 58 PHE HB2 H 3.419 0.007 2 505 106 58 PHE HB3 H 3.002 0.011 2 506 106 58 PHE HD1 H 7.349 0.027 3 507 106 58 PHE CA C 57.848 0.071 1 508 106 58 PHE CB C 38.429 0.013 1 509 106 58 PHE N N 118.309 0.028 1 510 107 59 LEU H H 7.546 0.017 1 511 107 59 LEU HA H 3.753 0.007 1 512 107 59 LEU HB2 H 2.042 0.018 2 513 107 59 LEU HB3 H 1.967 0.001 2 514 107 59 LEU HD1 H 1.275 0.015 2 515 107 59 LEU HD2 H 1.250 0.002 2 516 107 59 LEU HG H 1.874 0.008 1 517 107 59 LEU CA C 60.665 0.035 1 518 107 59 LEU CB C 42.312 0.079 1 519 107 59 LEU CD1 C 26.079 0.041 2 520 107 59 LEU CD2 C 25.047 0.104 2 521 107 59 LEU CG C 27.460 0.015 1 522 107 59 LEU N N 122.095 0.023 1 523 108 60 ASP H H 8.614 0.011 1 524 108 60 ASP HA H 4.424 0.006 1 525 108 60 ASP HB2 H 2.827 0.017 2 526 108 60 ASP HB3 H 2.764 0.001 2 527 108 60 ASP CA C 57.985 0.023 1 528 108 60 ASP CB C 40.583 0.068 1 529 108 60 ASP N N 116.669 0.078 1 530 109 61 GLN H H 8.243 0.012 1 531 109 61 GLN HA H 4.035 0.014 1 532 109 61 GLN HB2 H 2.052 0.011 2 533 109 61 GLN HE21 H 7.695 0.001 2 534 109 61 GLN HE22 H 6.895 0.008 2 535 109 61 GLN HG2 H 2.404 0.008 2 536 109 61 GLN CA C 58.916 0.031 1 537 109 61 GLN CB C 28.873 0.008 1 538 109 61 GLN CG C 33.739 0.059 1 539 109 61 GLN N N 118.615 0.074 1 540 109 61 GLN NE2 N 111.139 0.044 1 541 110 62 VAL H H 8.106 0.009 1 542 110 62 VAL HA H 3.380 0.008 1 543 110 62 VAL HB H 1.975 0.008 1 544 110 62 VAL HG1 H 0.949 0.008 2 545 110 62 VAL HG2 H 0.554 0.008 2 546 110 62 VAL CA C 66.529 0.036 1 547 110 62 VAL CB C 31.554 0.083 1 548 110 62 VAL CG1 C 22.986 0.136 2 549 110 62 VAL CG2 C 21.857 0.170 2 550 110 62 VAL N N 121.096 0.050 1 551 111 63 ALA H H 8.406 0.011 1 552 111 63 ALA HA H 3.333 0.008 1 553 111 63 ALA HB H 0.111 0.025 1 554 111 63 ALA CA C 55.698 0.090 1 555 111 63 ALA CB C 16.235 0.108 1 556 111 63 ALA N N 122.590 0.066 1 557 112 64 LYS H H 7.906 0.011 1 558 112 64 LYS HA H 3.673 0.006 1 559 112 64 LYS HB3 H 1.807 0.004 2 560 112 64 LYS HD2 H 1.675 0.010 2 561 112 64 LYS HE2 H 3.050 0.009 2 562 112 64 LYS HG2 H 1.445 0.039 2 563 112 64 LYS HG3 H 1.360 0.012 2 564 112 64 LYS CA C 59.213 0.072 1 565 112 64 LYS CB C 32.097 0.020 1 566 112 64 LYS CD C 28.981 0.196 1 567 112 64 LYS CE C 42.303 0.035 1 568 112 64 LYS CG C 25.690 0.028 1 569 112 64 LYS N N 115.149 0.031 1 570 113 65 PHE H H 7.515 0.014 1 571 113 65 PHE HA H 3.969 0.006 1 572 113 65 PHE HB2 H 3.167 0.009 2 573 113 65 PHE HB3 H 2.960 0.007 2 574 113 65 PHE HD1 H 6.559 0.145 3 575 113 65 PHE CA C 61.497 0.045 1 576 113 65 PHE CB C 38.568 0.027 1 577 113 65 PHE N N 120.089 0.027 1 578 114 66 ILE H H 7.633 0.104 1 579 114 66 ILE HA H 2.564 0.008 1 580 114 66 ILE HB H 1.586 0.010 1 581 114 66 ILE HD1 H 0.541 0.008 1 582 114 66 ILE HG12 H 1.650 0.023 2 583 114 66 ILE HG13 H 0.254 0.011 2 584 114 66 ILE HG2 H -0.194 0.007 1 585 114 66 ILE CA C 65.812 0.028 1 586 114 66 ILE CB C 37.925 0.027 1 587 114 66 ILE CD1 C 14.440 0.089 1 588 114 66 ILE CG1 C 28.320 0.124 1 589 114 66 ILE CG2 C 16.010 0.098 1 590 114 66 ILE N N 120.188 0.044 1 591 115 67 ILE H H 7.923 0.012 1 592 115 67 ILE HA H 3.253 0.007 1 593 115 67 ILE HB H 1.665 0.009 1 594 115 67 ILE HD1 H 0.691 0.011 1 595 115 67 ILE HG12 H 1.433 0.008 2 596 115 67 ILE HG13 H 0.935 0.008 2 597 115 67 ILE HG2 H 0.884 0.017 1 598 115 67 ILE CA C 65.761 0.021 1 599 115 67 ILE CB C 38.589 0.030 1 600 115 67 ILE CD1 C 13.381 0.055 1 601 115 67 ILE CG1 C 29.703 0.098 1 602 115 67 ILE CG2 C 17.042 0.103 1 603 115 67 ILE N N 121.800 0.048 1 604 116 68 ASP H H 8.746 0.011 1 605 116 68 ASP HA H 4.251 0.007 1 606 116 68 ASP HB2 H 2.452 0.013 2 607 116 68 ASP HB3 H 2.364 0.020 2 608 116 68 ASP CA C 56.864 0.080 1 609 116 68 ASP CB C 40.169 0.052 1 610 116 68 ASP N N 119.021 0.025 1 611 117 69 ASN H H 7.235 0.011 1 612 117 69 ASN HA H 4.429 0.011 1 613 117 69 ASN HB2 H 4.212 0.000 2 614 117 69 ASN HB3 H 4.212 0.000 2 615 117 69 ASN HD21 H 7.614 0.009 2 616 117 69 ASN HD22 H 6.913 0.012 2 617 117 69 ASN CA C 54.915 0.042 1 618 117 69 ASN CB C 39.630 0.058 1 619 117 69 ASN N N 114.819 0.039 1 620 117 69 ASN ND2 N 113.410 0.108 1 621 118 70 THR H H 7.309 0.011 1 622 118 70 THR HA H 4.380 0.006 1 623 118 70 THR HB H 4.388 0.005 1 624 118 70 THR HG2 H 0.932 0.006 1 625 118 70 THR CA C 61.947 0.045 1 626 118 70 THR CB C 69.990 0.054 1 627 118 70 THR CG2 C 21.955 0.131 1 628 118 70 THR N N 109.240 0.040 1 629 119 71 LYS H H 7.819 0.010 1 630 119 71 LYS HA H 4.357 0.010 1 631 119 71 LYS HB2 H 1.924 0.007 2 632 119 71 LYS HD2 H 1.728 0.008 2 633 119 71 LYS HE2 H 3.030 0.007 2 634 119 71 LYS HG2 H 1.522 0.010 2 635 119 71 LYS CA C 57.224 0.078 1 636 119 71 LYS CB C 32.630 0.055 1 637 119 71 LYS CD C 29.057 0.199 1 638 119 71 LYS CE C 42.231 0.113 1 639 119 71 LYS CG C 24.370 0.066 1 640 119 71 LYS N N 122.175 0.046 1 641 120 72 GLY H H 8.416 0.005 1 642 120 72 GLY HA2 H 4.793 0.007 2 643 120 72 GLY HA3 H 3.984 0.000 2 644 120 72 GLY CA C 45.672 0.000 1 645 120 72 GLY N N 108.907 0.079 1 646 121 73 GLN H H 8.150 0.004 1 647 121 73 GLN HA H 4.388 0.015 1 648 121 73 GLN HB2 H 2.172 0.007 2 649 121 73 GLN HB3 H 2.044 0.013 2 650 121 73 GLN HE21 H 7.551 0.005 2 651 121 73 GLN HE22 H 6.872 0.003 2 652 121 73 GLN HG2 H 2.392 0.010 2 653 121 73 GLN CA C 55.927 0.120 1 654 121 73 GLN CB C 29.378 0.148 1 655 121 73 GLN CG C 33.850 0.043 1 656 121 73 GLN N N 119.366 0.051 1 657 121 73 GLN NE2 N 111.962 0.038 1 658 122 74 MET H H 8.384 0.002 1 659 122 74 MET HA H 4.531 0.005 1 660 122 74 MET HB2 H 2.117 0.010 2 661 122 74 MET HB3 H 2.071 0.000 2 662 122 74 MET HG2 H 2.591 0.013 2 663 122 74 MET HG3 H 2.655 0.003 2 664 122 74 MET CA C 55.686 0.054 1 665 122 74 MET CB C 32.337 0.041 1 666 122 74 MET N N 120.993 0.037 1 667 123 75 LEU H H 8.254 0.000 1 668 123 75 LEU HA H 4.477 0.017 1 669 123 75 LEU HB2 H 1.670 0.000 2 670 123 75 LEU HD1 H 0.936 0.011 2 671 123 75 LEU HG H 1.681 0.003 1 672 123 75 LEU CA C 55.485 0.000 1 673 123 75 LEU CB C 42.409 0.000 1 674 123 75 LEU CD1 C 25.040 0.040 2 675 123 75 LEU CD2 C 23.340 0.001 2 676 123 75 LEU CG C 27.141 0.001 1 677 123 75 LEU N N 123.238 0.044 1 678 124 76 GLY H H 8.390 0.003 1 679 124 76 GLY HA2 H 4.795 0.000 2 680 124 76 GLY HA3 H 4.454 0.000 2 681 124 76 GLY CA C 45.508 0.000 1 682 124 76 GLY N N 109.521 0.109 1 683 125 77 LEU H H 8.088 0.001 1 684 125 77 LEU HA H 4.407 0.008 1 685 125 77 LEU HB2 H 1.660 0.013 2 686 125 77 LEU HD1 H 0.929 0.018 2 687 125 77 LEU HG H 1.666 0.004 1 688 125 77 LEU CA C 55.240 0.000 1 689 125 77 LEU CB C 42.549 0.144 1 690 125 77 LEU CD1 C 24.994 0.071 2 691 125 77 LEU CD2 C 23.088 0.120 2 692 125 77 LEU CG C 26.866 0.108 1 693 125 77 LEU N N 121.129 0.009 1 694 126 78 GLY H H 8.421 0.003 1 695 126 78 GLY HA2 H 4.081 0.204 2 696 126 78 GLY CA C 45.324 0.000 1 697 126 78 GLY N N 109.036 0.064 1 698 127 79 ASN H H 7.888 0.002 1 699 127 79 ASN HA H 4.764 0.033 1 700 127 79 ASN HB2 H 2.654 0.022 2 701 127 79 ASN HD21 H 7.537 0.000 2 702 127 79 ASN HD22 H 6.842 0.000 2 703 127 79 ASN CA C 51.238 0.000 1 704 127 79 ASN CB C 40.477 0.012 1 705 127 79 ASN N N 118.305 0.020 1 706 127 79 ASN ND2 N 112.326 0.097 1 stop_ save_