data_16848 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Solution structure of a novel Ubiquitin-binding domain from Human PLAA (PFUC, Gly76-Pro77 cis isomer). ; _BMRB_accession_number 16848 _BMRB_flat_file_name bmr16848.str _Entry_type original _Submission_date 2010-04-08 _Accession_date 2010-04-08 _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 . . 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" 88 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2010-05-10 original author . stop_ _Original_release_date 2010-05-10 save_ ############################# # Citation for this entry # ############################# save_entry_citation _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 . loop_ _Keyword PFU PFUC PLAA Ubiquitin stop_ save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name PFUC _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label PFUC $PFUC-cis 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-cis _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common PFUC-cis _Molecular_mass . _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 16818 PFUC_trans 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 $PFUC-cis Human 9606 Eukaryota Metzoa Homo sapiens stop_ save_ ######################### # Experimental source # ######################### save_experimental_source _Saveframe_category experimental_source loop_ _Mol_label _Production_method _Host_organism_name_common _Genus _Species _Strain _Vector_name $PFUC-cis 'recombinant technology' . Escherichia coli . pET-32M stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $PFUC-cis 1 mM 'natural abundance' H2O 90 % 'natural abundance' D2O 10 % 'natural abundance' stop_ save_ ############################ # Computer software used # ############################ save_SPARKY _Saveframe_category software _Name SPARKY _Version . loop_ _Vendor _Address _Electronic_address Goddard . . stop_ loop_ _Task 'chemical shift assignment' stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Varian _Model INOVA _Field_strength 600 _Details . save_ ############################# # NMR applied experiments # ############################# save_3D_1H-13C_NOESY_1 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-13C 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' 0.02 . M 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 _Indirect_shift_ratio DSS C 13 'methyl protons' ppm 0.00 na indirect . . . 0.251449530 DSS H 1 'methyl protons' ppm 0.00 internal direct . . . 1.000000000 DSS N 15 'methyl protons' ppm 0.00 na indirect . . . 0.101329118 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chem_shift_list_1 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Experiment_label '3D 1H-13C NOESY' stop_ loop_ _Sample_label $sample_1 stop_ _Sample_conditions_label $sample_conditions_1 _Chem_shift_reference_set_label $chemical_shift_reference_1 _Mol_system_component_name PFUC _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 0.124 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 0.122 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 0.132 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 1.140 0.010 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 58.592 0.064 1 186 70 22 ILE CB C 40.821 0.079 1 187 70 22 ILE CD1 C 13.251 0.143 1 188 70 22 ILE CG1 C 27.451 0.125 1 189 70 22 ILE CG2 C 16.447 0.077 1 190 70 22 ILE N N 124.935 0.065 1 191 71 23 ASP H H 8.186 0.006 1 192 71 23 ASP HA H 5.075 0.026 1 193 71 23 ASP HB2 H 2.487 0.000 2 194 71 23 ASP HB3 H 2.436 0.000 2 195 71 23 ASP CA C 52.443 0.056 1 196 71 23 ASP N N 127.156 0.063 1 197 72 24 VAL H H 8.238 0.004 1 198 72 24 VAL HA H 3.752 0.013 1 199 72 24 VAL HB H 1.594 0.016 1 200 72 24 VAL HG1 H 0.646 0.014 2 201 72 24 VAL HG2 H 0.350 0.007 2 202 72 24 VAL CA C 63.025 0.062 1 203 72 24 VAL CB C 31.624 0.067 1 204 72 24 VAL CG1 C 20.442 0.155 2 205 72 24 VAL N N 118.810 0.053 1 206 73 25 ASN H H 7.862 0.004 1 207 73 25 ASN HA H 4.807 0.005 1 208 73 25 ASN HB2 H 2.779 0.022 2 209 73 25 ASN HB3 H 2.625 0.010 2 210 73 25 ASN HD21 H 7.646 0.002 2 211 73 25 ASN HD22 H 6.828 0.007 2 212 73 25 ASN CA C 51.876 0.035 1 213 73 25 ASN CB C 41.314 0.045 1 214 73 25 ASN N N 116.556 0.020 1 215 73 25 ASN ND2 N 113.175 0.252 1 216 74 26 GLU H H 8.716 0.010 1 217 74 26 GLU HA H 4.082 0.007 1 218 74 26 GLU HB2 H 2.011 0.006 2 219 74 26 GLU HG2 H 2.270 0.008 2 220 74 26 GLU CA C 58.203 0.117 1 221 74 26 GLU CB C 29.207 0.000 1 222 74 26 GLU CG C 36.112 0.035 1 223 74 26 GLU N N 123.424 0.049 1 224 75 27 GLY H H 9.049 0.011 1 225 75 27 GLY HA2 H 4.235 0.008 2 226 75 27 GLY HA3 H 3.767 0.005 2 227 75 27 GLY CA C 45.065 0.048 1 228 75 27 GLY N N 114.156 0.043 1 229 76 28 GLY H H 7.981 0.009 1 230 76 28 GLY HA2 H 4.289 0.007 2 231 76 28 GLY HA3 H 3.535 0.008 2 232 76 28 GLY CA C 44.130 0.046 1 233 76 28 GLY N N 109.273 0.029 1 234 77 29 PRO HA H 4.602 0.007 1 235 77 29 PRO HB2 H 2.301 0.007 2 236 77 29 PRO HB3 H 1.854 0.009 2 237 77 29 PRO HD2 H 3.542 0.005 2 238 77 29 PRO HG2 H 1.586 0.007 2 239 77 29 PRO HG3 H 1.854 0.003 2 240 77 29 PRO CA C 62.140 0.060 1 241 77 29 PRO CB C 35.057 0.048 1 242 77 29 PRO CD C 50.262 0.055 1 243 77 29 PRO CG C 24.411 0.100 1 244 78 30 SER H H 8.112 0.002 1 245 78 30 SER HA H 5.021 0.004 1 246 78 30 SER HB2 H 3.682 0.009 2 247 78 30 SER HB3 H 3.501 0.007 2 248 78 30 SER CA C 57.682 0.122 1 249 78 30 SER CB C 64.035 0.106 1 250 78 30 SER N N 114.609 0.022 1 251 79 31 TYR H H 9.064 0.002 1 252 79 31 TYR HA H 4.709 0.008 1 253 79 31 TYR HB2 H 3.152 0.011 2 254 79 31 TYR HB3 H 2.860 0.012 2 255 79 31 TYR HD1 H 7.149 0.005 3 256 79 31 TYR CA C 57.313 0.046 1 257 79 31 TYR CB C 42.356 0.109 1 258 79 31 TYR N N 123.284 0.023 1 259 80 32 LYS H H 8.678 0.005 1 260 80 32 LYS HA H 5.078 0.006 1 261 80 32 LYS HB2 H 1.890 0.007 2 262 80 32 LYS HB3 H 1.050 0.008 2 263 80 32 LYS HD2 H 1.573 0.014 2 264 80 32 LYS HD3 H 1.475 0.002 2 265 80 32 LYS HE2 H 2.947 0.006 2 266 80 32 LYS HG2 H 1.450 0.016 2 267 80 32 LYS CA C 54.270 0.108 1 268 80 32 LYS CB C 33.402 0.043 1 269 80 32 LYS CD C 28.666 0.040 1 270 80 32 LYS CE C 42.497 0.095 1 271 80 32 LYS CG C 24.822 0.097 1 272 80 32 LYS N N 119.987 0.048 1 273 81 33 LEU H H 8.769 0.008 1 274 81 33 LEU HA H 4.650 0.006 1 275 81 33 LEU HB2 H 1.511 0.008 2 276 81 33 LEU HB3 H 0.522 0.013 2 277 81 33 LEU HD1 H 0.300 0.011 2 278 81 33 LEU HD2 H 0.131 0.008 2 279 81 33 LEU HG H 1.248 0.009 1 280 81 33 LEU CA C 51.307 0.152 1 281 81 33 LEU CB C 44.684 0.108 1 282 81 33 LEU CD1 C 23.996 0.154 2 283 81 33 LEU CG C 27.551 0.175 1 284 81 33 LEU N N 124.156 0.026 1 285 82 34 PRO HA H 4.613 0.010 1 286 82 34 PRO HB2 H 0.402 0.014 2 287 82 34 PRO HB3 H -0.026 0.009 2 288 82 34 PRO HD2 H 3.626 0.009 2 289 82 34 PRO HD3 H 2.956 0.008 2 290 82 34 PRO HG2 H 1.604 0.013 2 291 82 34 PRO HG3 H 1.131 0.009 2 292 82 34 PRO CA C 61.417 0.036 1 293 82 34 PRO CB C 29.921 0.084 1 294 82 34 PRO CD C 50.477 0.167 1 295 82 34 PRO CG C 27.076 0.127 1 296 83 35 TYR H H 8.923 0.008 1 297 83 35 TYR HA H 4.904 0.006 1 298 83 35 TYR HB2 H 2.989 0.004 2 299 83 35 TYR HB3 H 2.450 0.014 2 300 83 35 TYR HD1 H 7.126 0.020 3 301 83 35 TYR HD2 H 7.141 0.000 3 302 83 35 TYR HE1 H 7.139 0.005 3 303 83 35 TYR CA C 58.527 0.053 1 304 83 35 TYR CB C 43.215 0.045 1 305 83 35 TYR N N 122.405 0.032 1 306 84 36 ASN H H 7.566 0.007 1 307 84 36 ASN HA H 5.623 0.356 1 308 84 36 ASN HB2 H 2.631 0.013 2 309 84 36 ASN HD21 H 7.893 0.004 2 310 84 36 ASN HD22 H 6.581 0.013 2 311 84 36 ASN CA C 51.246 0.039 1 312 84 36 ASN CB C 40.289 0.245 1 313 84 36 ASN N N 125.954 0.021 1 314 84 36 ASN ND2 N 114.127 0.286 1 315 85 37 THR H H 9.755 0.013 1 316 85 37 THR HA H 4.032 0.006 1 317 85 37 THR HB H 4.421 0.008 1 318 85 37 THR HG2 H 1.593 0.008 1 319 85 37 THR CA C 65.175 0.057 1 320 85 37 THR CB C 68.929 0.086 1 321 85 37 THR CG2 C 22.576 0.023 1 322 85 37 THR N N 113.910 0.018 1 323 86 38 SER H H 7.737 0.011 1 324 86 38 SER HA H 4.283 0.007 1 325 86 38 SER HB2 H 4.068 0.012 2 326 86 38 SER HB3 H 3.831 0.010 2 327 86 38 SER CA C 59.097 0.141 1 328 86 38 SER CB C 63.313 0.106 1 329 86 38 SER N N 112.951 0.040 1 330 87 39 ASP H H 8.145 0.004 1 331 87 39 ASP HA H 4.819 0.014 1 332 87 39 ASP HB2 H 3.100 0.007 2 333 87 39 ASP HB3 H 2.613 0.011 2 334 87 39 ASP CA C 53.744 0.106 1 335 87 39 ASP CB C 41.269 0.061 1 336 87 39 ASP N N 123.340 0.033 1 337 88 40 ASP H H 9.261 0.011 1 338 88 40 ASP HA H 5.111 0.006 1 339 88 40 ASP HB2 H 3.018 0.006 2 340 88 40 ASP CA C 52.318 0.138 1 341 88 40 ASP N N 125.332 0.018 1 342 89 41 PRO HA H 4.122 0.008 1 343 89 41 PRO HB2 H 1.988 0.014 2 344 89 41 PRO HB3 H 1.448 0.008 2 345 89 41 PRO HD2 H 4.380 0.002 2 346 89 41 PRO HD3 H 4.269 0.009 2 347 89 41 PRO HG2 H 2.016 0.007 2 348 89 41 PRO CA C 66.049 0.043 1 349 89 41 PRO CB C 32.354 0.064 1 350 89 41 PRO CD C 51.782 0.054 1 351 89 41 PRO CG C 27.367 0.077 1 352 90 42 TRP H H 8.157 0.009 1 353 90 42 TRP HA H 4.054 0.017 1 354 90 42 TRP HB2 H 3.567 0.012 2 355 90 42 TRP HB3 H 3.329 0.011 2 356 90 42 TRP HE1 H 10.263 0.000 1 357 90 42 TRP HH2 H 6.572 0.000 1 358 90 42 TRP CA C 56.130 0.000 1 359 90 42 TRP CB C 27.802 0.121 1 360 90 42 TRP N N 119.713 0.040 1 361 90 42 TRP NE1 N 129.461 0.000 1 362 91 43 LEU H H 8.318 0.008 1 363 91 43 LEU HA H 4.388 0.011 1 364 91 43 LEU HB2 H 1.949 0.012 2 365 91 43 LEU HD2 H 1.060 0.017 2 366 91 43 LEU HG H 1.870 0.012 1 367 91 43 LEU CA C 57.878 0.036 1 368 91 43 LEU CB C 42.097 0.095 1 369 91 43 LEU CD1 C 24.453 0.109 2 370 91 43 LEU CG C 27.198 0.035 1 371 91 43 LEU N N 122.681 0.033 1 372 92 44 THR H H 8.301 0.007 1 373 92 44 THR HA H 4.114 0.011 1 374 92 44 THR HB H 4.283 0.006 1 375 92 44 THR HG2 H 1.512 0.014 1 376 92 44 THR CA C 67.582 0.039 1 377 92 44 THR CB C 68.663 0.096 1 378 92 44 THR CG2 C 22.199 0.045 1 379 92 44 THR N N 115.061 0.023 1 380 93 45 ALA H H 8.273 0.004 1 381 93 45 ALA HA H 3.871 0.005 1 382 93 45 ALA HB H 1.467 0.006 1 383 93 45 ALA CA C 56.118 0.035 1 384 93 45 ALA CB C 19.449 0.091 1 385 93 45 ALA N N 124.590 0.026 1 386 94 46 TYR H H 8.458 0.008 1 387 94 46 TYR HA H 4.011 0.009 1 388 94 46 TYR HB2 H 3.299 0.005 2 389 94 46 TYR HD1 H 7.197 0.016 3 390 94 46 TYR CA C 62.454 0.059 1 391 94 46 TYR CB C 38.764 0.081 1 392 94 46 TYR N N 119.405 0.031 1 393 95 47 ASN H H 8.584 0.004 1 394 95 47 ASN HA H 4.448 0.008 1 395 95 47 ASN HB2 H 3.086 0.010 2 396 95 47 ASN HB3 H 2.936 0.010 2 397 95 47 ASN HD21 H 7.771 0.013 2 398 95 47 ASN HD22 H 6.993 0.016 2 399 95 47 ASN CA C 56.137 0.050 1 400 95 47 ASN CB C 38.282 0.188 1 401 95 47 ASN N N 118.073 0.020 1 402 95 47 ASN ND2 N 111.025 0.069 1 403 96 48 PHE H H 8.382 0.007 1 404 96 48 PHE HA H 4.357 0.009 1 405 96 48 PHE HB2 H 3.282 0.012 2 406 96 48 PHE HD1 H 7.133 0.004 3 407 96 48 PHE CA C 60.698 0.047 1 408 96 48 PHE CB C 38.944 0.057 1 409 96 48 PHE N N 122.951 0.052 1 410 97 49 LEU H H 8.226 0.005 1 411 97 49 LEU HA H 3.509 0.009 1 412 97 49 LEU HB2 H 1.938 0.009 2 413 97 49 LEU HB3 H 1.238 0.010 2 414 97 49 LEU HD1 H 0.902 0.017 2 415 97 49 LEU HG H 2.255 0.008 1 416 97 49 LEU CA C 58.082 0.040 1 417 97 49 LEU CB C 40.190 0.054 1 418 97 49 LEU CD1 C 24.584 0.148 2 419 97 49 LEU CG C 26.772 0.198 1 420 97 49 LEU N N 121.549 0.035 1 421 98 50 GLN H H 7.707 0.017 1 422 98 50 GLN HA H 4.000 0.006 1 423 98 50 GLN HB2 H 1.773 0.010 2 424 98 50 GLN HE21 H 7.213 0.003 2 425 98 50 GLN HE22 H 6.758 0.004 2 426 98 50 GLN HG2 H 2.234 0.008 2 427 98 50 GLN HG3 H 2.060 0.010 2 428 98 50 GLN CA C 58.752 0.052 1 429 98 50 GLN CB C 28.949 0.069 1 430 98 50 GLN CG C 33.880 0.037 1 431 98 50 GLN N N 117.005 0.030 1 432 98 50 GLN NE2 N 111.599 0.255 1 433 99 51 LYS H H 8.348 0.010 1 434 99 51 LYS HA H 4.003 0.007 1 435 99 51 LYS HB2 H 2.014 0.011 2 436 99 51 LYS HB3 H 1.779 0.006 2 437 99 51 LYS HD2 H 1.760 0.009 2 438 99 51 LYS HE2 H 3.092 0.012 2 439 99 51 LYS HG2 H 1.465 0.012 2 440 99 51 LYS CA C 58.574 0.134 1 441 99 51 LYS CB C 32.470 0.070 1 442 99 51 LYS CD C 29.237 0.000 1 443 99 51 LYS CE C 42.285 0.036 1 444 99 51 LYS CG C 24.598 0.233 1 445 99 51 LYS N N 119.804 0.108 1 446 100 52 ASN H H 6.802 0.012 1 447 100 52 ASN HA H 4.642 0.008 1 448 100 52 ASN HB2 H 2.343 0.010 2 449 100 52 ASN HB3 H 1.539 0.009 2 450 100 52 ASN HD21 H 7.652 0.004 2 451 100 52 ASN HD22 H 6.698 0.058 2 452 100 52 ASN CA C 53.196 0.112 1 453 100 52 ASN CB C 40.222 0.166 1 454 100 52 ASN N N 112.227 0.034 1 455 100 52 ASN ND2 N 112.448 0.052 1 456 101 53 ASP H H 7.614 0.007 1 457 101 53 ASP HA H 4.288 0.008 1 458 101 53 ASP HB2 H 3.034 0.007 2 459 101 53 ASP HB3 H 2.470 0.007 2 460 101 53 ASP CA C 55.252 0.116 1 461 101 53 ASP CB C 39.464 0.173 1 462 101 53 ASP N N 119.118 0.025 1 463 102 54 LEU H H 8.116 0.003 1 464 102 54 LEU HA H 4.552 0.006 1 465 102 54 LEU HB2 H 1.482 0.010 2 466 102 54 LEU HB3 H 1.204 0.008 2 467 102 54 LEU HD1 H 0.684 0.006 2 468 102 54 LEU HD2 H -0.069 0.007 2 469 102 54 LEU HG H 1.041 0.008 1 470 102 54 LEU CA C 52.842 0.056 1 471 102 54 LEU CB C 46.258 0.094 1 472 102 54 LEU CD1 C 22.302 0.165 2 473 102 54 LEU CG C 26.120 0.163 1 474 102 54 LEU N N 117.421 0.019 1 475 103 55 ASN H H 8.083 0.004 1 476 103 55 ASN HA H 4.526 0.009 1 477 103 55 ASN HB2 H 2.672 0.009 2 478 103 55 ASN HB3 H 2.235 0.010 2 479 103 55 ASN HD21 H 7.620 0.001 2 480 103 55 ASN HD22 H 6.922 0.006 2 481 103 55 ASN CA C 51.843 0.045 1 482 103 55 ASN CB C 39.410 0.161 1 483 103 55 ASN N N 120.393 0.062 1 484 103 55 ASN ND2 N 113.846 0.121 1 485 104 56 PRO HA H 4.286 0.006 1 486 104 56 PRO HB2 H 2.426 0.008 2 487 104 56 PRO HB3 H 2.002 0.007 2 488 104 56 PRO HD2 H 3.891 0.012 2 489 104 56 PRO HD3 H 3.735 0.006 2 490 104 56 PRO HG2 H 2.018 0.006 2 491 104 56 PRO CA C 64.768 0.053 1 492 104 56 PRO CB C 32.267 0.068 1 493 104 56 PRO CD C 51.526 0.036 1 494 104 56 PRO CG C 27.230 0.139 1 495 105 57 MET H H 8.627 0.010 1 496 105 57 MET HA H 4.297 0.011 1 497 105 57 MET HB2 H 2.208 0.010 2 498 105 57 MET HB3 H 1.883 0.011 2 499 105 57 MET HG2 H 2.145 0.011 2 500 105 57 MET CA C 57.119 0.001 1 501 105 57 MET CB C 31.509 0.068 1 502 105 57 MET N N 116.865 0.044 1 503 106 58 PHE H H 7.781 0.009 1 504 106 58 PHE HA H 4.820 0.007 1 505 106 58 PHE HB2 H 3.419 0.007 2 506 106 58 PHE HB3 H 3.002 0.011 2 507 106 58 PHE HD1 H 7.349 0.027 3 508 106 58 PHE CA C 57.848 0.071 1 509 106 58 PHE CB C 38.429 0.013 1 510 106 58 PHE N N 118.309 0.028 1 511 107 59 LEU H H 7.546 0.017 1 512 107 59 LEU HA H 3.753 0.007 1 513 107 59 LEU HB2 H 2.042 0.018 2 514 107 59 LEU HB3 H 1.967 0.001 2 515 107 59 LEU HD1 H 1.275 0.015 2 516 107 59 LEU HD2 H 1.250 0.002 2 517 107 59 LEU HG H 1.874 0.008 1 518 107 59 LEU CA C 60.665 0.035 1 519 107 59 LEU CB C 42.312 0.079 1 520 107 59 LEU CD1 C 26.079 0.041 2 521 107 59 LEU CD2 C 25.047 0.104 2 522 107 59 LEU CG C 27.460 0.015 1 523 107 59 LEU N N 122.095 0.023 1 524 108 60 ASP H H 8.614 0.011 1 525 108 60 ASP HA H 4.424 0.006 1 526 108 60 ASP HB2 H 2.827 0.017 2 527 108 60 ASP HB3 H 2.764 0.001 2 528 108 60 ASP CA C 57.985 0.023 1 529 108 60 ASP CB C 40.583 0.068 1 530 108 60 ASP N N 116.669 0.078 1 531 109 61 GLN H H 8.243 0.012 1 532 109 61 GLN HA H 4.035 0.014 1 533 109 61 GLN HB2 H 2.052 0.011 2 534 109 61 GLN HE21 H 7.695 0.001 2 535 109 61 GLN HE22 H 6.895 0.008 2 536 109 61 GLN HG2 H 2.404 0.008 2 537 109 61 GLN CA C 58.916 0.031 1 538 109 61 GLN CB C 28.873 0.008 1 539 109 61 GLN CG C 33.739 0.059 1 540 109 61 GLN N N 118.615 0.074 1 541 109 61 GLN NE2 N 111.139 0.044 1 542 110 62 VAL H H 8.106 0.009 1 543 110 62 VAL HA H 3.380 0.008 1 544 110 62 VAL HB H 1.975 0.008 1 545 110 62 VAL HG1 H 0.949 0.008 2 546 110 62 VAL HG2 H 0.554 0.008 2 547 110 62 VAL CA C 66.529 0.036 1 548 110 62 VAL CB C 31.554 0.083 1 549 110 62 VAL CG1 C 22.986 0.136 2 550 110 62 VAL CG2 C 21.857 0.170 2 551 110 62 VAL N N 121.096 0.050 1 552 111 63 ALA H H 8.406 0.011 1 553 111 63 ALA HA H 3.333 0.008 1 554 111 63 ALA HB H 0.111 0.025 1 555 111 63 ALA CA C 55.698 0.090 1 556 111 63 ALA CB C 16.235 0.108 1 557 111 63 ALA N N 122.590 0.066 1 558 112 64 LYS H H 7.906 0.011 1 559 112 64 LYS HA H 3.673 0.006 1 560 112 64 LYS HB3 H 1.807 0.004 2 561 112 64 LYS HD2 H 1.675 0.010 2 562 112 64 LYS HE2 H 3.050 0.009 2 563 112 64 LYS HG2 H 1.445 0.039 2 564 112 64 LYS HG3 H 1.360 0.012 2 565 112 64 LYS CA C 59.213 0.072 1 566 112 64 LYS CB C 32.097 0.020 1 567 112 64 LYS CD C 28.981 0.196 1 568 112 64 LYS CE C 42.303 0.035 1 569 112 64 LYS CG C 25.690 0.028 1 570 112 64 LYS N N 115.149 0.031 1 571 113 65 PHE H H 7.515 0.014 1 572 113 65 PHE HA H 3.969 0.006 1 573 113 65 PHE HB2 H 3.167 0.009 2 574 113 65 PHE HB3 H 2.960 0.007 2 575 113 65 PHE HD1 H 6.559 0.145 3 576 113 65 PHE CA C 61.497 0.045 1 577 113 65 PHE CB C 38.568 0.027 1 578 113 65 PHE N N 120.089 0.027 1 579 114 66 ILE H H 7.633 0.104 1 580 114 66 ILE HA H 2.564 0.008 1 581 114 66 ILE HB H 1.586 0.010 1 582 114 66 ILE HD1 H 0.541 0.008 1 583 114 66 ILE HG12 H 1.650 0.023 2 584 114 66 ILE HG13 H 0.254 0.011 2 585 114 66 ILE HG2 H -0.194 0.007 1 586 114 66 ILE CA C 65.812 0.028 1 587 114 66 ILE CB C 37.925 0.027 1 588 114 66 ILE CD1 C 14.440 0.089 1 589 114 66 ILE CG1 C 28.320 0.124 1 590 114 66 ILE CG2 C 16.010 0.098 1 591 114 66 ILE N N 120.188 0.044 1 592 115 67 ILE H H 7.923 0.012 1 593 115 67 ILE HA H 3.253 0.007 1 594 115 67 ILE HB H 1.665 0.009 1 595 115 67 ILE HD1 H 0.691 0.011 1 596 115 67 ILE HG12 H 1.433 0.008 2 597 115 67 ILE HG13 H 0.935 0.008 2 598 115 67 ILE HG2 H 0.884 0.017 1 599 115 67 ILE CA C 65.761 0.021 1 600 115 67 ILE CB C 38.589 0.030 1 601 115 67 ILE CD1 C 13.381 0.055 1 602 115 67 ILE CG1 C 29.703 0.098 1 603 115 67 ILE CG2 C 17.042 0.103 1 604 115 67 ILE N N 121.800 0.048 1 605 116 68 ASP H H 8.746 0.011 1 606 116 68 ASP HA H 4.251 0.007 1 607 116 68 ASP HB2 H 2.452 0.013 2 608 116 68 ASP HB3 H 2.364 0.020 2 609 116 68 ASP CA C 56.864 0.080 1 610 116 68 ASP CB C 40.169 0.052 1 611 116 68 ASP N N 119.021 0.025 1 612 117 69 ASN H H 7.235 0.011 1 613 117 69 ASN HA H 4.429 0.011 1 614 117 69 ASN HB2 H 4.212 0.000 2 615 117 69 ASN HB3 H 4.212 0.000 2 616 117 69 ASN HD21 H 7.614 0.009 2 617 117 69 ASN HD22 H 6.913 0.012 2 618 117 69 ASN CA C 54.915 0.042 1 619 117 69 ASN CB C 39.630 0.058 1 620 117 69 ASN N N 114.819 0.039 1 621 117 69 ASN ND2 N 113.410 0.108 1 622 118 70 THR H H 7.309 0.011 1 623 118 70 THR HA H 4.380 0.006 1 624 118 70 THR HB H 4.388 0.005 1 625 118 70 THR HG2 H 0.932 0.006 1 626 118 70 THR CA C 61.947 0.045 1 627 118 70 THR CB C 69.990 0.054 1 628 118 70 THR CG2 C 21.955 0.131 1 629 118 70 THR N N 109.240 0.040 1 630 119 71 LYS H H 7.819 0.010 1 631 119 71 LYS HA H 4.357 0.010 1 632 119 71 LYS HB2 H 1.924 0.007 2 633 119 71 LYS HD2 H 1.728 0.008 2 634 119 71 LYS HE2 H 3.030 0.007 2 635 119 71 LYS HG2 H 1.522 0.010 2 636 119 71 LYS CA C 57.224 0.078 1 637 119 71 LYS CB C 32.630 0.055 1 638 119 71 LYS CD C 29.057 0.199 1 639 119 71 LYS CE C 42.231 0.113 1 640 119 71 LYS CG C 24.370 0.066 1 641 119 71 LYS N N 122.175 0.046 1 642 120 72 GLY H H 8.416 0.005 1 643 120 72 GLY HA2 H 4.793 0.007 2 644 120 72 GLY HA3 H 3.984 0.000 2 645 120 72 GLY CA C 45.672 0.000 1 646 120 72 GLY N N 108.907 0.079 1 647 121 73 GLN H H 8.150 0.004 1 648 121 73 GLN HA H 4.388 0.015 1 649 121 73 GLN HB2 H 2.172 0.007 2 650 121 73 GLN HB3 H 2.044 0.013 2 651 121 73 GLN HE21 H 7.551 0.005 2 652 121 73 GLN HE22 H 6.872 0.003 2 653 121 73 GLN HG2 H 2.392 0.010 2 654 121 73 GLN CA C 55.927 0.120 1 655 121 73 GLN CB C 29.378 0.148 1 656 121 73 GLN CG C 33.850 0.043 1 657 121 73 GLN N N 119.366 0.051 1 658 121 73 GLN NE2 N 111.962 0.038 1 659 122 74 MET H H 8.384 0.002 1 660 122 74 MET HA H 4.531 0.005 1 661 122 74 MET HB2 H 2.117 0.010 2 662 122 74 MET HB3 H 2.071 0.000 2 663 122 74 MET HG2 H 2.591 0.013 2 664 122 74 MET HG3 H 2.655 0.003 2 665 122 74 MET CA C 55.686 0.054 1 666 122 74 MET CB C 32.337 0.041 1 667 122 74 MET N N 120.993 0.037 1 668 123 75 LEU H H 8.254 0.000 1 669 123 75 LEU HA H 4.477 0.017 1 670 123 75 LEU HB2 H 1.670 0.000 2 671 123 75 LEU HD1 H 0.936 0.011 2 672 123 75 LEU HG H 1.681 0.003 1 673 123 75 LEU CA C 55.485 0.000 1 674 123 75 LEU CB C 42.409 0.000 1 675 123 75 LEU CD1 C 25.040 0.040 2 676 123 75 LEU CD2 C 23.340 0.001 2 677 123 75 LEU CG C 27.141 0.001 1 678 123 75 LEU N N 123.238 0.044 1 679 124 76 GLY H H 8.390 0.003 1 680 124 76 GLY HA2 H 4.795 0.000 2 681 124 76 GLY HA3 H 4.454 0.000 2 682 124 76 GLY CA C 45.508 0.000 1 683 124 76 GLY N N 109.521 0.109 1 684 125 77 LEU H H 8.088 0.001 1 685 125 77 LEU HA H 4.407 0.008 1 686 125 77 LEU HB2 H 1.660 0.013 2 687 125 77 LEU HD1 H 0.929 0.018 2 688 125 77 LEU HG H 1.666 0.004 1 689 125 77 LEU CA C 55.240 0.000 1 690 125 77 LEU CB C 42.549 0.144 1 691 125 77 LEU CD1 C 24.994 0.071 2 692 125 77 LEU CD2 C 23.088 0.120 2 693 125 77 LEU CG C 26.866 0.108 1 694 125 77 LEU N N 121.129 0.009 1 695 126 78 GLY H H 8.421 0.003 1 696 126 78 GLY HA2 H 4.081 0.204 2 697 126 78 GLY CA C 45.324 0.000 1 698 126 78 GLY N N 109.036 0.064 1 699 127 79 ASN H H 7.888 0.002 1 700 127 79 ASN HA H 4.764 0.033 1 701 127 79 ASN HB2 H 2.654 0.022 2 702 127 79 ASN HD21 H 7.537 0.000 2 703 127 79 ASN HD22 H 6.842 0.000 2 704 127 79 ASN CA C 51.238 0.000 1 705 127 79 ASN CB C 40.477 0.012 1 706 127 79 ASN N N 118.305 0.020 1 707 127 79 ASN ND2 N 112.326 0.097 1 stop_ save_