data_15733 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Solution structure of Lamin B Receptor Tudor domain ; _BMRB_accession_number 15733 _BMRB_flat_file_name bmr15733.str _Entry_type original _Submission_date 2008-04-16 _Accession_date 2008-04-16 _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 Liokatis S. . . 2 Edlich C. . . 3 Georgatos SD. . . 4 Sattler M. . . 5 Politou AS. . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 388 "13C chemical shifts" 230 "15N chemical shifts" 69 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2012-07-19 original author . stop_ _Original_release_date 2012-07-19 save_ ############################# # Citation for this entry # ############################# save_citations _Saveframe_category entry_citation _Citation_full . _Citation_title 'Solution structure and molecular interactions of lamin B receptor Tudor domain' _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 22052904 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Liokatis Stamatis . . 2 Edlich Christian . . 3 Soupsana Katerina . . 4 Giannios Ioannis . . 5 Panagiotidou Parthena . . 6 Tripsianes Konstantinos . . 7 Sattler Michael . . 8 Georgatos Spyros D. . 9 Politou Anastasia S. . stop_ _Journal_abbreviation 'J. Biol. Chem.' _Journal_volume 287 _Journal_issue 2 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 1032 _Page_last 1042 _Year 2012 _Details . save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name 'chicken Lamin B Receptor' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label 'chicken Lamin B Receptor' $chicken_Lamin_B_Receptor 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_chicken_Lamin_B_Receptor _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common chicken_Lamin_B_Receptor _Molecular_mass 7490.461 _Mol_thiol_state 'not present' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 66 _Mol_residue_sequence ; GAMGMPNRKYADGEVVMGRW PGSVLYYEVQVTSYDDASHL YTVKYKDGTELALKESDIRL QSSFKQ ; loop_ _Residue_seq_code _Residue_label 1 GLY 2 ALA 3 MET 4 GLY 5 MET 6 PRO 7 ASN 8 ARG 9 LYS 10 TYR 11 ALA 12 ASP 13 GLY 14 GLU 15 VAL 16 VAL 17 MET 18 GLY 19 ARG 20 TRP 21 PRO 22 GLY 23 SER 24 VAL 25 LEU 26 TYR 27 TYR 28 GLU 29 VAL 30 GLN 31 VAL 32 THR 33 SER 34 TYR 35 ASP 36 ASP 37 ALA 38 SER 39 HIS 40 LEU 41 TYR 42 THR 43 VAL 44 LYS 45 TYR 46 LYS 47 ASP 48 GLY 49 THR 50 GLU 51 LEU 52 ALA 53 LEU 54 LYS 55 GLU 56 SER 57 ASP 58 ILE 59 ARG 60 LEU 61 GLN 62 SER 63 SER 64 PHE 65 LYS 66 GLN stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2015-10-07 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 17402 LBR_Tudor_domain 100.00 66 100.00 100.00 4.66e-40 PDB 2L8D "StructureFUNCTION OF THE LBR TUDOR DOMAIN" 100.00 66 100.00 100.00 4.66e-40 EMBL CAA68758 "lamin B receptor [Gallus gallus]" 93.94 637 100.00 100.00 1.72e-33 EMBL CAG31779 "hypothetical protein RCJMB04_11a8 [Gallus gallus]" 93.94 160 100.00 100.00 1.33e-37 REF NP_990673 "lamin-B receptor [Gallus gallus]" 93.94 637 100.00 100.00 1.72e-33 REF XP_010704965 "PREDICTED: LOW QUALITY PROTEIN: lamin-B receptor [Meleagris gallopavo]" 93.94 609 98.39 98.39 2.01e-32 SP P23913 "RecName: Full=Lamin-B receptor" 93.94 637 100.00 100.00 1.72e-33 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 $chicken_Lamin_B_Receptor Chicken 9031 Eukaryota Metazoa gallus gallus LBR 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 $chicken_Lamin_B_Receptor 'recombinant technology' . Escherichia coli BL21(DE3) pETM30 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Saveframe_category sample _Sample_type solution _Details '20mM phosphate buffer NA pH6.9, 100mM NaCl' loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $chicken_Lamin_B_Receptor 0.5-1 mM '[U-13C; U-15N]' 'sodium phosphate' 20 mM 'natural abundance' 'sodium chloride' 100 mM 'natural abundance' D2O 10 % . H2O 90 % 'natural abundance' stop_ save_ save_sample_2 _Saveframe_category sample _Sample_type solution _Details '20mM phosphate buffer NA pH6.9, 100mM NaCl' loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $chicken_Lamin_B_Receptor 0.5-1 mM '[U-13C; U-15N]' 'sodium phosphate' 20 mM 'natural abundance' 'sodium chloride' 100 mM 'natural abundance' D2O 100 % . stop_ save_ ############################ # Computer software used # ############################ save_CYANA _Saveframe_category software _Name CYANA _Version . loop_ _Vendor _Address _Electronic_address 'G??ntert P.' . . stop_ loop_ _Task refinement stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model DRX _Field_strength 500 _Details . save_ save_spectrometer_2 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model DRX _Field_strength 600 _Details . save_ ############################# # NMR applied experiments # ############################# save_3D_15N-separated_NOESY_1 _Saveframe_category NMR_applied_experiment _Experiment_name 3D_15N-separated_NOESY _Sample_label $sample_1 save_ save_3D_13C-separated_NOESY_2 _Saveframe_category NMR_applied_experiment _Experiment_name 3D_13C-separated_NOESY _Sample_label $sample_2 save_ save_3D_13C-separated_NOESY-aromatic_region_3 _Saveframe_category NMR_applied_experiment _Experiment_name '3D_13C-separated_NOESY-aromatic region' _Sample_label $sample_2 save_ save_2D-13C-HSQC_4 _Saveframe_category NMR_applied_experiment _Experiment_name 2D-13C-HSQC _Sample_label $sample_2 save_ save_2D-15N-HSQC_5 _Saveframe_category NMR_applied_experiment _Experiment_name 2D-15N-HSQC _Sample_label $sample_1 save_ save_HNCA_6 _Saveframe_category NMR_applied_experiment _Experiment_name HNCA _Sample_label $sample_1 save_ save_CBCANH_7 _Saveframe_category NMR_applied_experiment _Experiment_name CBCANH _Sample_label $sample_1 save_ save_CBCA-(CO)NH_8 _Saveframe_category NMR_applied_experiment _Experiment_name CBCA-(CO)NH _Sample_label $sample_1 save_ save_HCCH-TOCSY_9 _Saveframe_category NMR_applied_experiment _Experiment_name HCCH-TOCSY _Sample_label $sample_2 save_ save_2D-CBHD_10 _Saveframe_category NMR_applied_experiment _Experiment_name 2D-CBHD _Sample_label $sample_2 save_ save_2D-CBHE_11 _Saveframe_category NMR_applied_experiment _Experiment_name 2D-CBHE _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' 100 . mM pH 6.9 . 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 . indirect . . . 0.251449530 DSS H 1 'methyl protons' ppm 0.00 internal direct . . . 1.000000000 DSS N 15 'methyl protons' ppm 0.00 . indirect . . . 0.101329118 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chem_shift_list_1 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Experiment_label 2D-13C-HSQC 2D-15N-HSQC HNCA CBCANH CBCA-(CO)NH HCCH-TOCSY 2D-CBHD 2D-CBHE stop_ loop_ _Sample_label $sample_2 $sample_1 stop_ _Sample_conditions_label $sample_conditions_1 _Chem_shift_reference_set_label $chemical_shift_reference_1 _Mol_system_component_name 'chicken Lamin B Receptor' _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 1 1 GLY HA2 H 3.780 0.020 2 2 1 1 GLY HA3 H 3.744 0.020 2 3 1 1 GLY CA C 43.291 0.400 1 4 2 2 ALA HA H 4.309 0.020 1 5 2 2 ALA HB H 1.345 0.020 1 6 2 2 ALA CA C 52.436 0.400 1 7 2 2 ALA CB C 19.305 0.400 1 8 3 3 MET H H 8.503 0.020 1 9 3 3 MET HA H 4.408 0.020 1 10 3 3 MET HB2 H 2.064 0.020 2 11 3 3 MET HB3 H 1.984 0.020 2 12 3 3 MET HG2 H 2.505 0.020 2 13 3 3 MET HG3 H 2.576 0.020 2 14 3 3 MET CA C 55.530 0.400 1 15 3 3 MET CB C 32.627 0.400 1 16 3 3 MET CG C 32.016 0.400 1 17 3 3 MET N N 119.945 0.400 1 18 4 4 GLY H H 8.410 0.020 1 19 4 4 GLY HA2 H 3.894 0.020 2 20 4 4 GLY HA3 H 3.850 0.020 2 21 4 4 GLY CA C 45.076 0.400 1 22 4 4 GLY N N 110.237 0.400 1 23 5 5 MET H H 8.148 0.020 1 24 5 5 MET HA H 4.760 0.020 1 25 5 5 MET HB2 H 2.030 0.020 2 26 5 5 MET HB3 H 1.914 0.020 2 27 5 5 MET HG2 H 2.482 0.020 2 28 5 5 MET HG3 H 2.607 0.020 2 29 5 5 MET CA C 53.156 0.400 1 30 5 5 MET CB C 32.418 0.400 1 31 5 5 MET CG C 32.060 0.400 1 32 5 5 MET N N 120.938 0.400 1 33 6 6 PRO HA H 4.361 0.020 1 34 6 6 PRO HB2 H 2.225 0.020 2 35 6 6 PRO HB3 H 1.794 0.020 2 36 6 6 PRO HD2 H 3.763 0.020 2 37 6 6 PRO HD3 H 3.607 0.020 2 38 6 6 PRO HG2 H 1.958 0.020 2 39 6 6 PRO HG3 H 1.929 0.020 2 40 6 6 PRO CA C 63.181 0.400 1 41 6 6 PRO CB C 32.071 0.400 1 42 6 6 PRO CD C 50.641 0.400 1 43 6 6 PRO CG C 27.340 0.400 1 44 7 7 ASN H H 8.487 0.020 1 45 7 7 ASN HA H 4.567 0.020 1 46 7 7 ASN HB2 H 2.700 0.020 2 47 7 7 ASN HB3 H 2.678 0.020 2 48 7 7 ASN HD21 H 7.597 0.020 2 49 7 7 ASN HD22 H 6.894 0.020 2 50 7 7 ASN CA C 53.038 0.400 1 51 7 7 ASN CB C 38.940 0.400 1 52 7 7 ASN N N 119.040 0.400 1 53 7 7 ASN ND2 N 113.191 0.400 1 54 8 8 ARG H H 7.893 0.020 1 55 8 8 ARG HA H 3.923 0.020 1 56 8 8 ARG HB2 H 1.396 0.020 2 57 8 8 ARG HB3 H 1.191 0.020 2 58 8 8 ARG HD2 H 2.835 0.020 2 59 8 8 ARG HD3 H 2.802 0.020 2 60 8 8 ARG HE H 6.592 0.020 1 61 8 8 ARG HG2 H 1.139 0.020 2 62 8 8 ARG HG3 H 1.116 0.020 2 63 8 8 ARG CA C 55.498 0.400 1 64 8 8 ARG CB C 30.539 0.400 1 65 8 8 ARG CD C 43.865 0.400 1 66 8 8 ARG CG C 25.418 0.400 1 67 8 8 ARG N N 119.580 0.400 1 68 8 8 ARG NE N 112.736 0.400 1 69 9 9 LYS H H 7.828 0.020 1 70 9 9 LYS HA H 3.773 0.020 1 71 9 9 LYS HB2 H 0.852 0.020 2 72 9 9 LYS HB3 H 1.088 0.020 2 73 9 9 LYS HD2 H 1.312 0.020 2 74 9 9 LYS HD3 H 1.347 0.020 2 75 9 9 LYS HE2 H 2.818 0.020 2 76 9 9 LYS HE3 H 2.893 0.020 2 77 9 9 LYS HG2 H 0.593 0.020 2 78 9 9 LYS HG3 H 0.975 0.020 2 79 9 9 LYS CA C 58.078 0.400 1 80 9 9 LYS CB C 33.917 0.400 1 81 9 9 LYS CD C 29.073 0.400 1 82 9 9 LYS CE C 41.779 0.400 1 83 9 9 LYS CG C 25.032 0.400 1 84 9 9 LYS N N 123.186 0.400 1 85 10 10 TYR H H 7.094 0.020 1 86 10 10 TYR HA H 4.888 0.020 1 87 10 10 TYR HB2 H 2.367 0.020 2 88 10 10 TYR HB3 H 2.642 0.020 2 89 10 10 TYR HD1 H 6.597 0.020 1 90 10 10 TYR HD2 H 6.597 0.020 1 91 10 10 TYR HE1 H 6.498 0.020 1 92 10 10 TYR HE2 H 6.498 0.020 1 93 10 10 TYR CA C 55.907 0.400 1 94 10 10 TYR CB C 40.021 0.400 1 95 10 10 TYR CD1 C 133.017 0.400 1 96 10 10 TYR CD2 C 133.017 0.400 1 97 10 10 TYR CE1 C 118.127 0.400 1 98 10 10 TYR CE2 C 118.127 0.400 1 99 10 10 TYR N N 115.178 0.400 1 100 11 11 ALA H H 9.369 0.020 1 101 11 11 ALA HA H 4.217 0.020 1 102 11 11 ALA HB H 1.383 0.020 1 103 11 11 ALA CA C 51.315 0.400 1 104 11 11 ALA CB C 20.650 0.400 1 105 11 11 ALA N N 129.390 0.400 1 106 12 12 ASP H H 8.497 0.020 1 107 12 12 ASP HA H 4.004 0.020 1 108 12 12 ASP HB2 H 2.529 0.020 2 109 12 12 ASP HB3 H 2.495 0.020 2 110 12 12 ASP CA C 56.225 0.400 1 111 12 12 ASP CB C 39.143 0.400 1 112 12 12 ASP N N 120.801 0.400 1 113 13 13 GLY H H 9.156 0.020 1 114 13 13 GLY HA2 H 4.309 0.020 2 115 13 13 GLY HA3 H 3.613 0.020 2 116 13 13 GLY CA C 44.933 0.400 1 117 13 13 GLY N N 113.163 0.400 1 118 14 14 GLU H H 7.984 0.020 1 119 14 14 GLU HA H 4.081 0.020 1 120 14 14 GLU HB2 H 2.078 0.020 2 121 14 14 GLU HB3 H 2.025 0.020 2 122 14 14 GLU HG2 H 2.354 0.020 2 123 14 14 GLU HG3 H 2.196 0.020 2 124 14 14 GLU CA C 58.234 0.400 1 125 14 14 GLU CB C 31.216 0.400 1 126 14 14 GLU CG C 37.327 0.400 1 127 14 14 GLU N N 123.232 0.400 1 128 15 15 VAL H H 8.452 0.020 1 129 15 15 VAL HA H 4.646 0.020 1 130 15 15 VAL HB H 1.927 0.020 1 131 15 15 VAL HG1 H 0.957 0.020 2 132 15 15 VAL HG2 H 0.860 0.020 2 133 15 15 VAL CA C 62.888 0.400 1 134 15 15 VAL CB C 31.498 0.400 1 135 15 15 VAL CG1 C 21.504 0.400 1 136 15 15 VAL CG2 C 21.590 0.400 1 137 15 15 VAL N N 126.169 0.400 1 138 16 16 VAL H H 8.897 0.020 1 139 16 16 VAL HA H 4.634 0.020 1 140 16 16 VAL HB H 1.844 0.020 1 141 16 16 VAL HG1 H 0.380 0.020 2 142 16 16 VAL HG2 H 0.173 0.020 2 143 16 16 VAL CA C 58.761 0.400 1 144 16 16 VAL CB C 35.135 0.400 1 145 16 16 VAL CG1 C 21.815 0.400 1 146 16 16 VAL CG2 C 18.786 0.400 1 147 16 16 VAL N N 121.876 0.400 1 148 17 17 MET H H 8.481 0.020 1 149 17 17 MET HA H 5.481 0.020 1 150 17 17 MET HB2 H 1.573 0.020 2 151 17 17 MET HB3 H 1.849 0.020 2 152 17 17 MET HE H 1.670 0.020 1 153 17 17 MET HG2 H 2.296 0.020 2 154 17 17 MET HG3 H 2.146 0.020 2 155 17 17 MET CA C 52.231 0.400 1 156 17 17 MET CB C 32.322 0.400 1 157 17 17 MET CE C 16.469 0.400 1 158 17 17 MET CG C 31.800 0.400 1 159 17 17 MET N N 115.176 0.400 1 160 18 18 GLY H H 9.720 0.020 1 161 18 18 GLY HA2 H 3.015 0.020 2 162 18 18 GLY HA3 H 5.178 0.020 2 163 18 18 GLY CA C 43.778 0.400 1 164 18 18 GLY N N 109.784 0.400 1 165 19 19 ARG H H 8.470 0.020 1 166 19 19 ARG HA H 3.887 0.020 1 167 19 19 ARG HB2 H 1.370 0.020 2 168 19 19 ARG HB3 H 0.841 0.020 2 169 19 19 ARG HD2 H 2.753 0.020 2 170 19 19 ARG HD3 H 3.171 0.020 2 171 19 19 ARG HE H 7.143 0.020 1 172 19 19 ARG HG2 H 0.710 0.020 2 173 19 19 ARG HG3 H 1.186 0.020 2 174 19 19 ARG CA C 55.411 0.400 1 175 19 19 ARG CB C 30.897 0.400 1 176 19 19 ARG CD C 43.633 0.400 1 177 19 19 ARG CG C 26.703 0.400 1 178 19 19 ARG N N 127.096 0.400 1 179 19 19 ARG NE N 112.238 0.400 1 180 20 20 TRP H H 8.353 0.020 1 181 20 20 TRP HA H 4.474 0.020 1 182 20 20 TRP HB2 H 3.110 0.020 2 183 20 20 TRP HB3 H 2.946 0.020 2 184 20 20 TRP HD1 H 7.137 0.020 1 185 20 20 TRP HE1 H 9.834 0.020 1 186 20 20 TRP HE3 H 6.783 0.020 1 187 20 20 TRP HH2 H 6.639 0.020 1 188 20 20 TRP HZ2 H 7.112 0.020 1 189 20 20 TRP HZ3 H 5.942 0.020 1 190 20 20 TRP CA C 55.042 0.400 1 191 20 20 TRP CB C 29.241 0.400 1 192 20 20 TRP CD1 C 126.876 0.400 1 193 20 20 TRP CE3 C 120.629 0.400 1 194 20 20 TRP CH2 C 123.793 0.400 1 195 20 20 TRP CZ2 C 114.176 0.400 1 196 20 20 TRP CZ3 C 120.492 0.400 1 197 20 20 TRP N N 130.507 0.400 1 198 20 20 TRP NE1 N 128.506 0.400 1 199 21 21 PRO HA H 4.147 0.020 1 200 21 21 PRO HB2 H 2.114 0.020 2 201 21 21 PRO HB3 H 1.671 0.020 2 202 21 21 PRO HD2 H 3.368 0.020 2 203 21 21 PRO HD3 H 2.354 0.020 2 204 21 21 PRO HG2 H 1.689 0.020 2 205 21 21 PRO HG3 H 1.692 0.020 2 206 21 21 PRO CA C 64.054 0.400 1 207 21 21 PRO CB C 31.565 0.400 1 208 21 21 PRO CD C 50.831 0.400 1 209 21 21 PRO CG C 27.307 0.400 1 210 22 22 GLY H H 8.689 0.020 1 211 22 22 GLY HA2 H 3.695 0.020 2 212 22 22 GLY HA3 H 4.097 0.020 2 213 22 22 GLY CA C 45.364 0.400 1 214 22 22 GLY N N 111.624 0.400 1 215 23 23 SER H H 8.252 0.020 1 216 23 23 SER HA H 4.954 0.020 1 217 23 23 SER HB2 H 3.944 0.020 2 218 23 23 SER HB3 H 3.844 0.020 2 219 23 23 SER CA C 56.308 0.400 1 220 23 23 SER CB C 66.534 0.400 1 221 23 23 SER N N 116.177 0.400 1 222 24 24 VAL H H 8.043 0.020 1 223 24 24 VAL HA H 4.381 0.020 1 224 24 24 VAL HB H 2.448 0.020 1 225 24 24 VAL HG1 H 0.934 0.020 2 226 24 24 VAL HG2 H 0.846 0.020 2 227 24 24 VAL CA C 61.130 0.400 1 228 24 24 VAL CB C 31.323 0.400 1 229 24 24 VAL CG1 C 21.423 0.400 1 230 24 24 VAL CG2 C 18.378 0.400 1 231 24 24 VAL N N 113.656 0.400 1 232 25 25 LEU H H 8.289 0.020 1 233 25 25 LEU HA H 4.398 0.020 1 234 25 25 LEU HB2 H 1.682 0.020 2 235 25 25 LEU HB3 H 1.156 0.020 2 236 25 25 LEU HD1 H 0.783 0.020 2 237 25 25 LEU HD2 H 0.858 0.020 2 238 25 25 LEU HG H 1.540 0.020 1 239 25 25 LEU CA C 54.432 0.400 1 240 25 25 LEU CB C 43.558 0.400 1 241 25 25 LEU CD1 C 22.765 0.400 1 242 25 25 LEU CD2 C 25.253 0.400 1 243 25 25 LEU CG C 27.080 0.400 1 244 25 25 LEU N N 123.116 0.400 1 245 26 26 TYR H H 8.121 0.020 1 246 26 26 TYR HA H 4.955 0.020 1 247 26 26 TYR HB2 H 2.341 0.020 2 248 26 26 TYR HB3 H 2.679 0.020 2 249 26 26 TYR HD1 H 6.814 0.020 1 250 26 26 TYR HD2 H 6.814 0.020 1 251 26 26 TYR HE1 H 6.603 0.020 1 252 26 26 TYR HE2 H 6.603 0.020 1 253 26 26 TYR CA C 56.847 0.400 1 254 26 26 TYR CB C 41.345 0.400 1 255 26 26 TYR CD1 C 133.507 0.400 1 256 26 26 TYR CD2 C 133.507 0.400 1 257 26 26 TYR CE1 C 119.026 0.400 1 258 26 26 TYR CE2 C 119.026 0.400 1 259 26 26 TYR N N 117.878 0.400 1 260 27 27 TYR H H 8.998 0.020 1 261 27 27 TYR HA H 4.667 0.020 1 262 27 27 TYR HB2 H 2.549 0.020 2 263 27 27 TYR HB3 H 3.064 0.020 2 264 27 27 TYR HD1 H 6.856 0.020 1 265 27 27 TYR HD2 H 6.856 0.020 1 266 27 27 TYR HE1 H 6.336 0.020 1 267 27 27 TYR HE2 H 6.336 0.020 1 268 27 27 TYR CA C 56.097 0.400 1 269 27 27 TYR CB C 42.374 0.400 1 270 27 27 TYR CD1 C 132.870 0.400 1 271 27 27 TYR CD2 C 132.870 0.400 1 272 27 27 TYR CE1 C 117.666 0.400 1 273 27 27 TYR CE2 C 117.666 0.400 1 274 27 27 TYR N N 119.634 0.400 1 275 28 28 GLU H H 8.912 0.020 1 276 28 28 GLU HA H 4.888 0.020 1 277 28 28 GLU HB2 H 2.029 0.020 2 278 28 28 GLU HB3 H 1.866 0.020 2 279 28 28 GLU HG2 H 2.141 0.020 2 280 28 28 GLU HG3 H 2.025 0.020 2 281 28 28 GLU CA C 57.746 0.400 1 282 28 28 GLU CB C 30.451 0.400 1 283 28 28 GLU CG C 37.888 0.400 1 284 28 28 GLU N N 124.131 0.400 1 285 29 29 VAL H H 9.227 0.020 1 286 29 29 VAL HA H 4.922 0.020 1 287 29 29 VAL HB H 1.715 0.020 1 288 29 29 VAL HG1 H 0.707 0.020 2 289 29 29 VAL HG2 H 0.487 0.020 2 290 29 29 VAL CA C 58.841 0.400 1 291 29 29 VAL CB C 37.332 0.400 1 292 29 29 VAL CG1 C 22.141 0.400 1 293 29 29 VAL CG2 C 17.925 0.400 1 294 29 29 VAL N N 120.277 0.400 1 295 30 30 GLN H H 8.292 0.020 1 296 30 30 GLN HA H 5.210 0.020 1 297 30 30 GLN HB2 H 1.826 0.020 2 298 30 30 GLN HB3 H 1.857 0.020 2 299 30 30 GLN HE21 H 7.520 0.020 2 300 30 30 GLN HE22 H 6.817 0.020 2 301 30 30 GLN HG2 H 2.018 0.020 2 302 30 30 GLN HG3 H 2.004 0.020 2 303 30 30 GLN CA C 53.327 0.400 1 304 30 30 GLN CB C 32.061 0.400 1 305 30 30 GLN CG C 33.833 0.400 1 306 30 30 GLN N N 118.836 0.400 1 307 30 30 GLN NE2 N 111.872 0.400 1 308 31 31 VAL H H 9.012 0.020 1 309 31 31 VAL HA H 4.044 0.020 1 310 31 31 VAL HB H 2.498 0.020 1 311 31 31 VAL HG1 H 0.762 0.020 2 312 31 31 VAL HG2 H 1.045 0.020 2 313 31 31 VAL CA C 64.347 0.400 1 314 31 31 VAL CB C 32.055 0.400 1 315 31 31 VAL CG1 C 21.969 0.400 1 316 31 31 VAL CG2 C 23.129 0.400 1 317 31 31 VAL N N 127.137 0.400 1 318 32 32 THR H H 9.737 0.020 1 319 32 32 THR HA H 4.596 0.020 1 320 32 32 THR HB H 4.124 0.020 1 321 32 32 THR HG2 H 1.096 0.020 1 322 32 32 THR CA C 62.394 0.400 1 323 32 32 THR CB C 69.498 0.400 1 324 32 32 THR CG2 C 22.335 0.400 1 325 32 32 THR N N 122.610 0.400 1 326 33 33 SER H H 7.925 0.020 1 327 33 33 SER HA H 4.903 0.020 1 328 33 33 SER HB2 H 3.906 0.020 2 329 33 33 SER HB3 H 3.887 0.020 2 330 33 33 SER CA C 58.835 0.400 1 331 33 33 SER CB C 64.314 0.400 1 332 33 33 SER N N 113.908 0.400 1 333 34 34 TYR H H 8.474 0.020 1 334 34 34 TYR HA H 4.740 0.020 1 335 34 34 TYR HB2 H 2.462 0.020 2 336 34 34 TYR HB3 H 2.706 0.020 2 337 34 34 TYR HD1 H 5.826 0.020 1 338 34 34 TYR HD2 H 5.826 0.020 1 339 34 34 TYR HE1 H 6.336 0.020 1 340 34 34 TYR HE2 H 6.336 0.020 1 341 34 34 TYR CA C 57.221 0.400 1 342 34 34 TYR CB C 41.115 0.400 1 343 34 34 TYR CD1 C 132.801 0.400 1 344 34 34 TYR CD2 C 132.801 0.400 1 345 34 34 TYR CE1 C 117.666 0.400 1 346 34 34 TYR CE2 C 117.666 0.400 1 347 34 34 TYR N N 119.862 0.400 1 348 35 35 ASP H H 7.300 0.020 1 349 35 35 ASP HA H 4.585 0.020 1 350 35 35 ASP HB2 H 2.264 0.020 2 351 35 35 ASP HB3 H 2.676 0.020 2 352 35 35 ASP CA C 51.991 0.400 1 353 35 35 ASP CB C 42.576 0.400 1 354 35 35 ASP N N 127.894 0.400 1 355 36 36 ASP H H 8.376 0.020 1 356 36 36 ASP HA H 3.928 0.020 1 357 36 36 ASP HB2 H 2.603 0.020 2 358 36 36 ASP HB3 H 2.517 0.020 2 359 36 36 ASP CA C 55.880 0.400 1 360 36 36 ASP CB C 41.537 0.400 1 361 36 36 ASP N N 124.373 0.400 1 362 37 37 ALA H H 8.098 0.020 1 363 37 37 ALA HA H 4.107 0.020 1 364 37 37 ALA HB H 1.338 0.020 1 365 37 37 ALA CA C 53.958 0.400 1 366 37 37 ALA CB C 18.600 0.400 1 367 37 37 ALA N N 119.736 0.400 1 368 38 38 SER H H 7.463 0.020 1 369 38 38 SER HA H 4.166 0.020 1 370 38 38 SER HB2 H 3.733 0.020 2 371 38 38 SER HB3 H 3.604 0.020 2 372 38 38 SER CA C 57.858 0.400 1 373 38 38 SER CB C 64.382 0.400 1 374 38 38 SER N N 110.678 0.400 1 375 39 39 HIS H H 7.879 0.020 1 376 39 39 HIS HA H 3.942 0.020 1 377 39 39 HIS HB2 H 3.552 0.020 2 378 39 39 HIS HB3 H 3.449 0.020 2 379 39 39 HIS HD2 H 7.051 0.020 1 380 39 39 HIS HE1 H 8.292 0.020 1 381 39 39 HIS CA C 56.378 0.400 1 382 39 39 HIS CB C 26.349 0.400 1 383 39 39 HIS CD2 C 119.419 0.400 1 384 39 39 HIS CE1 C 136.373 0.400 1 385 39 39 HIS N N 116.707 0.400 1 386 40 40 LEU H H 7.014 0.020 1 387 40 40 LEU HA H 4.870 0.020 1 388 40 40 LEU HB2 H 1.489 0.020 2 389 40 40 LEU HB3 H 1.006 0.020 2 390 40 40 LEU HD1 H 0.708 0.020 2 391 40 40 LEU HD2 H 0.728 0.020 2 392 40 40 LEU HG H 1.416 0.020 1 393 40 40 LEU CA C 53.578 0.400 1 394 40 40 LEU CB C 44.376 0.400 1 395 40 40 LEU CD1 C 23.748 0.400 1 396 40 40 LEU CD2 C 25.061 0.400 1 397 40 40 LEU CG C 25.994 0.400 1 398 40 40 LEU N N 116.339 0.400 1 399 41 41 TYR H H 9.664 0.020 1 400 41 41 TYR HA H 5.031 0.020 1 401 41 41 TYR HB2 H 2.757 0.020 2 402 41 41 TYR HB3 H 2.945 0.020 2 403 41 41 TYR HD1 H 7.278 0.020 1 404 41 41 TYR HD2 H 7.278 0.020 1 405 41 41 TYR HE1 H 7.036 0.020 1 406 41 41 TYR HE2 H 7.036 0.020 1 407 41 41 TYR CA C 58.234 0.400 1 408 41 41 TYR CB C 40.103 0.400 1 409 41 41 TYR CD1 C 133.900 0.400 1 410 41 41 TYR CD2 C 133.900 0.400 1 411 41 41 TYR CE1 C 118.278 0.400 1 412 41 41 TYR CE2 C 118.278 0.400 1 413 41 41 TYR N N 123.951 0.400 1 414 42 42 THR H H 8.939 0.020 1 415 42 42 THR HA H 5.044 0.020 1 416 42 42 THR HB H 3.988 0.020 1 417 42 42 THR HG2 H 1.029 0.020 1 418 42 42 THR CA C 62.960 0.400 1 419 42 42 THR CB C 68.892 0.400 1 420 42 42 THR CG2 C 21.289 0.400 1 421 42 42 THR N N 119.255 0.400 1 422 43 43 VAL H H 9.135 0.020 1 423 43 43 VAL HA H 5.462 0.020 1 424 43 43 VAL HB H 1.707 0.020 1 425 43 43 VAL HG1 H 0.681 0.020 2 426 43 43 VAL HG2 H 0.677 0.020 2 427 43 43 VAL CA C 57.563 0.400 1 428 43 43 VAL CB C 34.656 0.400 1 429 43 43 VAL CG1 C 21.021 0.400 1 430 43 43 VAL CG2 C 19.332 0.400 1 431 43 43 VAL N N 119.617 0.400 1 432 44 44 LYS H H 9.015 0.020 1 433 44 44 LYS HA H 5.387 0.020 1 434 44 44 LYS HB2 H 1.653 0.020 2 435 44 44 LYS HB3 H 1.738 0.020 2 436 44 44 LYS HD2 H 1.648 0.020 2 437 44 44 LYS HD3 H 1.614 0.020 2 438 44 44 LYS HE2 H 2.869 0.020 2 439 44 44 LYS HE3 H 2.933 0.020 2 440 44 44 LYS HG2 H 1.296 0.020 2 441 44 44 LYS HG3 H 1.491 0.020 2 442 44 44 LYS CA C 54.440 0.400 1 443 44 44 LYS CB C 36.479 0.400 1 444 44 44 LYS CD C 29.515 0.400 1 445 44 44 LYS CE C 41.912 0.400 1 446 44 44 LYS CG C 24.659 0.400 1 447 44 44 LYS N N 120.541 0.400 1 448 45 45 TYR H H 9.261 0.020 1 449 45 45 TYR HA H 5.002 0.020 1 450 45 45 TYR HB2 H 3.103 0.020 2 451 45 45 TYR HB3 H 3.154 0.020 2 452 45 45 TYR HD1 H 7.594 0.020 1 453 45 45 TYR HD2 H 7.594 0.020 1 454 45 45 TYR HE1 H 6.824 0.020 1 455 45 45 TYR HE2 H 6.824 0.020 1 456 45 45 TYR CA C 56.446 0.400 1 457 45 45 TYR CB C 40.363 0.400 1 458 45 45 TYR CD1 C 133.412 0.400 1 459 45 45 TYR CD2 C 133.412 0.400 1 460 45 45 TYR CE1 C 117.593 0.400 1 461 45 45 TYR CE2 C 117.593 0.400 1 462 45 45 TYR N N 127.642 0.400 1 463 46 46 LYS H H 7.451 0.020 1 464 46 46 LYS HA H 3.973 0.020 1 465 46 46 LYS HB2 H 1.690 0.020 2 466 46 46 LYS HB3 H 1.647 0.020 2 467 46 46 LYS HD2 H 1.483 0.020 2 468 46 46 LYS HD3 H 1.517 0.020 2 469 46 46 LYS HE2 H 2.880 0.020 2 470 46 46 LYS HE3 H 2.828 0.020 2 471 46 46 LYS HG2 H 0.701 0.020 2 472 46 46 LYS HG3 H 0.982 0.020 2 473 46 46 LYS CA C 58.834 0.400 1 474 46 46 LYS CB C 31.562 0.400 1 475 46 46 LYS CD C 29.058 0.400 1 476 46 46 LYS CE C 41.935 0.400 1 477 46 46 LYS CG C 23.287 0.400 1 478 46 46 LYS N N 123.683 0.400 1 479 47 47 ASP H H 7.071 0.020 1 480 47 47 ASP HA H 4.518 0.020 1 481 47 47 ASP HB2 H 2.512 0.020 2 482 47 47 ASP HB3 H 3.127 0.020 2 483 47 47 ASP CA C 53.356 0.400 1 484 47 47 ASP CB C 40.236 0.400 1 485 47 47 ASP N N 117.516 0.400 1 486 48 48 GLY H H 8.344 0.020 1 487 48 48 GLY HA2 H 4.448 0.020 2 488 48 48 GLY HA3 H 3.489 0.020 2 489 48 48 GLY CA C 44.804 0.400 1 490 48 48 GLY N N 108.759 0.400 1 491 49 49 THR H H 8.293 0.020 1 492 49 49 THR HA H 3.946 0.020 1 493 49 49 THR HB H 4.175 0.020 1 494 49 49 THR HG2 H 1.159 0.020 1 495 49 49 THR CA C 65.224 0.400 1 496 49 49 THR CB C 69.342 0.400 1 497 49 49 THR CG2 C 21.522 0.400 1 498 49 49 THR N N 119.066 0.400 1 499 50 50 GLU H H 8.520 0.020 1 500 50 50 GLU HA H 5.540 0.020 1 501 50 50 GLU HB2 H 1.798 0.020 2 502 50 50 GLU HB3 H 1.851 0.020 2 503 50 50 GLU HG2 H 2.293 0.020 2 504 50 50 GLU HG3 H 1.971 0.020 2 505 50 50 GLU CA C 54.502 0.400 1 506 50 50 GLU CB C 32.726 0.400 1 507 50 50 GLU CG C 37.458 0.400 1 508 50 50 GLU N N 125.669 0.400 1 509 51 51 LEU H H 8.589 0.020 1 510 51 51 LEU HA H 4.564 0.020 1 511 51 51 LEU HB2 H 1.193 0.020 2 512 51 51 LEU HB3 H 1.241 0.020 2 513 51 51 LEU HD1 H 0.176 0.020 2 514 51 51 LEU HD2 H 0.019 0.020 2 515 51 51 LEU HG H 1.052 0.020 1 516 51 51 LEU CA C 53.491 0.400 1 517 51 51 LEU CB C 45.642 0.400 1 518 51 51 LEU CD1 C 23.802 0.400 1 519 51 51 LEU CD2 C 24.717 0.400 1 520 51 51 LEU CG C 26.522 0.400 1 521 51 51 LEU N N 122.513 0.400 1 522 52 52 ALA H H 8.027 0.020 1 523 52 52 ALA HA H 5.561 0.020 1 524 52 52 ALA HB H 1.205 0.020 1 525 52 52 ALA CA C 50.130 0.400 1 526 52 52 ALA CB C 19.947 0.400 1 527 52 52 ALA N N 123.854 0.400 1 528 53 53 LEU H H 9.268 0.020 1 529 53 53 LEU HA H 4.889 0.020 1 530 53 53 LEU HB2 H 1.720 0.020 2 531 53 53 LEU HB3 H 1.509 0.020 2 532 53 53 LEU HD1 H 0.894 0.020 2 533 53 53 LEU HD2 H 0.691 0.020 2 534 53 53 LEU HG H 1.465 0.020 1 535 53 53 LEU CA C 53.414 0.400 1 536 53 53 LEU CB C 46.542 0.400 1 537 53 53 LEU CD1 C 23.567 0.400 1 538 53 53 LEU CD2 C 26.806 0.400 1 539 53 53 LEU CG C 27.099 0.400 1 540 53 53 LEU N N 123.127 0.400 1 541 54 54 LYS H H 8.998 0.020 1 542 54 54 LYS HA H 4.797 0.020 1 543 54 54 LYS HB2 H 2.112 0.020 2 544 54 54 LYS HB3 H 1.857 0.020 2 545 54 54 LYS HD2 H 1.795 0.020 2 546 54 54 LYS HD3 H 1.722 0.020 2 547 54 54 LYS HE2 H 3.004 0.020 2 548 54 54 LYS HE3 H 3.028 0.020 2 549 54 54 LYS HG2 H 1.621 0.020 2 550 54 54 LYS HG3 H 1.582 0.020 2 551 54 54 LYS CA C 55.791 0.400 1 552 54 54 LYS CB C 33.993 0.400 1 553 54 54 LYS CD C 29.338 0.400 1 554 54 54 LYS CE C 41.553 0.400 1 555 54 54 LYS CG C 25.307 0.400 1 556 54 54 LYS N N 120.634 0.400 1 557 55 55 GLU H H 9.738 0.020 1 558 55 55 GLU HA H 4.036 0.020 1 559 55 55 GLU HB2 H 2.621 0.020 2 560 55 55 GLU HB3 H 2.432 0.020 2 561 55 55 GLU HG2 H 2.542 0.020 2 562 55 55 GLU HG3 H 2.451 0.020 2 563 55 55 GLU CA C 60.916 0.400 1 564 55 55 GLU CB C 30.920 0.400 1 565 55 55 GLU CG C 38.462 0.400 1 566 55 55 GLU N N 121.831 0.400 1 567 56 56 SER H H 7.933 0.020 1 568 56 56 SER HA H 4.367 0.020 1 569 56 56 SER HB2 H 4.133 0.020 2 570 56 56 SER HB3 H 3.898 0.020 2 571 56 56 SER CA C 59.717 0.400 1 572 56 56 SER CB C 62.428 0.400 1 573 56 56 SER N N 108.440 0.400 1 574 57 57 ASP H H 7.981 0.020 1 575 57 57 ASP HA H 5.007 0.020 1 576 57 57 ASP HB2 H 3.190 0.020 2 577 57 57 ASP HB3 H 2.916 0.020 2 578 57 57 ASP CA C 54.874 0.400 1 579 57 57 ASP CB C 43.134 0.400 1 580 57 57 ASP N N 122.975 0.400 1 581 58 58 ILE H H 7.509 0.020 1 582 58 58 ILE HA H 5.014 0.020 1 583 58 58 ILE HB H 1.427 0.020 1 584 58 58 ILE HD1 H 0.126 0.020 1 585 58 58 ILE HG12 H 1.526 0.020 2 586 58 58 ILE HG13 H 0.414 0.020 2 587 58 58 ILE HG2 H -0.112 0.020 1 588 58 58 ILE CA C 60.201 0.400 1 589 58 58 ILE CB C 40.488 0.400 1 590 58 58 ILE CD1 C 13.778 0.400 1 591 58 58 ILE CG1 C 28.319 0.400 1 592 58 58 ILE CG2 C 17.586 0.400 1 593 58 58 ILE N N 119.469 0.400 1 594 59 59 ARG H H 9.165 0.020 1 595 59 59 ARG HA H 4.648 0.020 1 596 59 59 ARG HB2 H 1.321 0.020 2 597 59 59 ARG HB3 H 1.684 0.020 2 598 59 59 ARG HD2 H 2.524 0.020 2 599 59 59 ARG HD3 H 2.631 0.020 2 600 59 59 ARG HG2 H 1.242 0.020 2 601 59 59 ARG HG3 H 1.384 0.020 2 602 59 59 ARG CA C 53.757 0.400 1 603 59 59 ARG CB C 34.917 0.400 1 604 59 59 ARG CD C 43.181 0.400 1 605 59 59 ARG CG C 26.299 0.400 1 606 59 59 ARG N N 124.711 0.400 1 607 60 60 LEU H H 8.419 0.020 1 608 60 60 LEU HA H 4.480 0.020 1 609 60 60 LEU HB2 H 1.642 0.020 2 610 60 60 LEU HB3 H 1.674 0.020 2 611 60 60 LEU HD1 H 1.066 0.020 2 612 60 60 LEU HD2 H 1.000 0.020 2 613 60 60 LEU HG H 1.843 0.020 1 614 60 60 LEU CA C 54.536 0.400 1 615 60 60 LEU CB C 42.942 0.400 1 616 60 60 LEU CD1 C 23.756 0.400 1 617 60 60 LEU CD2 C 25.450 0.400 1 618 60 60 LEU CG C 27.236 0.400 1 619 60 60 LEU N N 119.433 0.400 1 620 61 61 GLN H H 9.216 0.020 1 621 61 61 GLN HA H 4.056 0.020 1 622 61 61 GLN HB2 H 2.084 0.020 2 623 61 61 GLN HB3 H 1.940 0.020 2 624 61 61 GLN HE21 H 7.262 0.020 2 625 61 61 GLN HE22 H 6.936 0.020 2 626 61 61 GLN HG2 H 2.226 0.020 2 627 61 61 GLN HG3 H 2.264 0.020 2 628 61 61 GLN CA C 58.401 0.400 1 629 61 61 GLN CB C 29.056 0.400 1 630 61 61 GLN CG C 34.292 0.400 1 631 61 61 GLN N N 122.835 0.400 1 632 61 61 GLN NE2 N 111.784 0.400 1 633 62 62 SER H H 8.345 0.020 1 634 62 62 SER HA H 4.269 0.020 1 635 62 62 SER HB2 H 3.793 0.020 2 636 62 62 SER HB3 H 3.895 0.020 2 637 62 62 SER CA C 58.915 0.400 1 638 62 62 SER CB C 63.052 0.400 1 639 62 62 SER N N 114.763 0.400 1 640 63 63 SER H H 7.897 0.020 1 641 63 63 SER HA H 4.345 0.020 1 642 63 63 SER HB2 H 3.738 0.020 2 643 63 63 SER HB3 H 3.811 0.020 2 644 63 63 SER CA C 58.842 0.400 1 645 63 63 SER CB C 63.764 0.400 1 646 63 63 SER N N 116.893 0.400 1 647 64 64 PHE H H 7.853 0.020 1 648 64 64 PHE HA H 4.469 0.020 1 649 64 64 PHE HB2 H 3.059 0.020 2 650 64 64 PHE HB3 H 2.921 0.020 2 651 64 64 PHE HD1 H 7.158 0.020 1 652 64 64 PHE HD2 H 7.158 0.020 1 653 64 64 PHE HE1 H 7.010 0.020 1 654 64 64 PHE HE2 H 7.010 0.020 1 655 64 64 PHE HZ H 6.685 0.020 1 656 64 64 PHE CA C 57.943 0.400 1 657 64 64 PHE CB C 39.489 0.400 1 658 64 64 PHE CD1 C 132.022 0.400 1 659 64 64 PHE CD2 C 132.022 0.400 1 660 64 64 PHE CE1 C 131.221 0.400 1 661 64 64 PHE CE2 C 131.221 0.400 1 662 64 64 PHE CZ C 129.209 0.400 1 663 64 64 PHE N N 121.919 0.400 1 664 65 65 LYS H H 7.960 0.020 1 665 65 65 LYS HA H 4.243 0.020 1 666 65 65 LYS HB2 H 1.649 0.020 2 667 65 65 LYS HB3 H 1.762 0.020 2 668 65 65 LYS HD2 H 1.615 0.020 2 669 65 65 LYS HD3 H 1.585 0.020 2 670 65 65 LYS HE2 H 2.917 0.020 2 671 65 65 LYS HE3 H 2.887 0.020 2 672 65 65 LYS HG2 H 1.286 0.020 2 673 65 65 LYS HG3 H 1.352 0.020 2 674 65 65 LYS CA C 56.006 0.400 1 675 65 65 LYS CB C 33.175 0.400 1 676 65 65 LYS CD C 28.905 0.400 1 677 65 65 LYS CE C 41.728 0.400 1 678 65 65 LYS CG C 24.467 0.400 1 679 65 65 LYS N N 123.475 0.400 1 680 66 66 GLN H H 7.941 0.020 1 681 66 66 GLN HA H 4.065 0.020 1 682 66 66 GLN HE21 H 7.490 0.020 2 683 66 66 GLN HE22 H 6.790 0.020 2 684 66 66 GLN CA C 57.342 0.400 1 685 66 66 GLN CB C 30.408 0.400 1 686 66 66 GLN N N 127.248 0.400 1 687 66 66 GLN NE2 N 112.399 0.400 1 stop_ save_