data_27606 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Backbone and side chain resonance assignment of the NZF domain of HOIL-1L ; _BMRB_accession_number 27606 _BMRB_flat_file_name bmr27606.str _Entry_type original _Submission_date 2018-09-13 _Accession_date 2018-09-13 _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 Ishii Naoki . . 2 Walinda Erik . . 3 Iwakawa Naoto . . 4 Morimoto Daichi . . 5 Sugase Kenji . . 6 Shirakawa Masahiro . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 387 "13C chemical shifts" 282 "15N chemical shifts" 63 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2019-04-24 update BMRB 'update entry citation' 2018-09-20 original author 'original release' stop_ _Original_release_date 2018-09-13 save_ ############################# # Citation for this entry # ############################# save_citation_1 _Saveframe_category entry_citation _Citation_full . _Citation_title ; NMR resonance assignments of the NZF domain of mouse HOIL-1L free and bound to linear di-ubiquitin. ; _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 30569274 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Ishii Naoki . . 2 Walinda Erik . . 3 Iwakawa Naoto . . 4 Morimoto Daichi . . 5 Iwai Kazuhiro . . 6 Sugase Kenji . . 7 Shirakawa Masahiro . . stop_ _Journal_abbreviation 'Biomol. NMR Assign.' _Journal_name_full 'Biomolecular NMR assignments' _Journal_volume 13 _Journal_issue 1 _Journal_ISSN 1874-270X _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 149 _Page_last 153 _Year 2019 _Details . save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name 'NZF domain' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label HOIL-1L $NZF_domain Zinc $entity_ZN 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_NZF_domain _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common NZF_domain _Molecular_mass . _Mol_thiol_state 'free and other bound' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 66 _Mol_residue_sequence ; GPLGSPEPVGWQCPGCTFIN KPTRPGCEMCCRARPETYQI PASYQPDEEERARLAGEEEA LRQYQQ ; loop_ _Residue_seq_code _Residue_label 1 GLY 2 PRO 3 LEU 4 GLY 5 SER 6 PRO 7 GLU 8 PRO 9 VAL 10 GLY 11 TRP 12 GLN 13 CYS 14 PRO 15 GLY 16 CYS 17 THR 18 PHE 19 ILE 20 ASN 21 LYS 22 PRO 23 THR 24 ARG 25 PRO 26 GLY 27 CYS 28 GLU 29 MET 30 CYS 31 CYS 32 ARG 33 ALA 34 ARG 35 PRO 36 GLU 37 THR 38 TYR 39 GLN 40 ILE 41 PRO 42 ALA 43 SER 44 TYR 45 GLN 46 PRO 47 ASP 48 GLU 49 GLU 50 GLU 51 ARG 52 ALA 53 ARG 54 LEU 55 ALA 56 GLY 57 GLU 58 GLU 59 GLU 60 ALA 61 LEU 62 ARG 63 GLN 64 TYR 65 GLN 66 GLN stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date . save_ ############# # Ligands # ############# save_ZN _Saveframe_category ligand _Mol_type "non-polymer (NON-POLYMER)" _Name_common "entity_ZN (ZINC ION)" _BMRB_code ZN _PDB_code ZN _Molecular_mass 65.409 _Mol_charge 2 _Mol_paramagnetic . _Mol_aromatic no _Details . loop_ _Atom_name _PDB_atom_name _Atom_type _Atom_chirality _Atom_charge _Atom_oxidation_number _Atom_unpaired_electrons ZN ZN ZN . 2 . ? stop_ _Mol_thiol_state . _Sequence_homology_query_date . save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species $NZF_domain Mouse 10090 Eukaryota Metazoa Mus musculus 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 $NZF_domain 'recombinant technology' . Escherichia coli . pGEX-6P-1 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 $NZF_domain 1.0 mM '[U-100% 13C; U-100% 15N]' HEPES 20 mM 'natural abundance' 'sodium chloride' 50 mM 'natural abundance' TCEP 1.0 mM 'natural abundance' D2O 5.0 % 'natural abundance' stop_ save_ ############################ # Computer software used # ############################ save_NMRView _Saveframe_category software _Name NMRView _Version . loop_ _Vendor _Address _Electronic_address 'Johnson, One Moon Scientific' . . stop_ loop_ _Task 'chemical shift assignment' stop_ _Details . save_ save_NMRPipe _Saveframe_category software _Name NMRPipe _Version . loop_ _Vendor _Address _Electronic_address 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . stop_ loop_ _Task collection stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _Field_strength 700 _Details . save_ ############################# # NMR applied experiments # ############################# save_2D_1H-15N_HSQC_1 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N HSQC' _Sample_label $sample_1 save_ save_3D_HNCO_2 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCO' _Sample_label $sample_1 save_ save_3D_HN(CA)CO_3 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HN(CA)CO' _Sample_label $sample_1 save_ save_3D_CBCA(CO)NH_4 _Saveframe_category NMR_applied_experiment _Experiment_name '3D CBCA(CO)NH' _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)CC(CO)NH_6 _Saveframe_category NMR_applied_experiment _Experiment_name '3D (H)CC(CO)NH' _Sample_label $sample_1 save_ save_3D_15N_NOESY-HSQC_7 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 15N NOESY-HSQC' _Sample_label $sample_1 save_ save_2D_1H-13C_HSQC_aliphatic_8 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-13C HSQC aliphatic' _Sample_label $sample_1 save_ save_2D_1H-13C_HSQC_aliphatic_aliased_9 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-13C HSQC aliphatic aliased' _Sample_label $sample_1 save_ save_2D_1H-13C_HSQC_aromatic_10 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-13C HSQC aromatic' _Sample_label $sample_1 save_ save_3D_H(CC)(CO)NH_11 _Saveframe_category NMR_applied_experiment _Experiment_name '3D H(CC)(CO)NH' _Sample_label $sample_1 save_ save_3D_HBHA(CO)NH_12 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HBHA(CO)NH' _Sample_label $sample_1 save_ save_3D_HBHANH_13 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HBHANH' _Sample_label $sample_1 save_ save_3D_HCCH-COSY_14 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HCCH-COSY' _Sample_label $sample_1 save_ save_3D_HCCH-TOCSY_15 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HCCH-TOCSY' _Sample_label $sample_1 save_ save_3D_13C_NOESY-HSQC_aliphatic_16 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 13C NOESY-HSQC aliphatic' _Sample_label $sample_1 save_ save_3D_13C_NOESY-HSQC_aromatic_17 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 13C NOESY-HSQC aromatic' _Sample_label $sample_1 save_ save_2D_(HB)CB(CGCD)HD_18 _Saveframe_category NMR_applied_experiment _Experiment_name '2D (HB)CB(CGCD)HD' _Sample_label $sample_1 save_ save_2D_(HB)CB(CGCDCE)HE_19 _Saveframe_category NMR_applied_experiment _Experiment_name '2D (HB)CB(CGCDCE)HE' _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 pH 7.0 . 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 external 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 '2D 1H-15N HSQC' '3D HNCO' '3D HN(CA)CO' '3D CBCA(CO)NH' '3D HNCACB' '3D (H)CC(CO)NH' '3D 15N NOESY-HSQC' '2D 1H-13C HSQC aliphatic' '2D 1H-13C HSQC aliphatic aliased' '2D 1H-13C HSQC aromatic' '3D H(CC)(CO)NH' '3D HBHA(CO)NH' '3D HBHANH' '3D HCCH-COSY' '3D HCCH-TOCSY' '3D 13C NOESY-HSQC aliphatic' '3D 13C NOESY-HSQC aromatic' '2D (HB)CB(CGCD)HD' '2D (HB)CB(CGCDCE)HE' 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 HOIL-1L _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 H H 8.263 0.030 1 2 1 1 GLY HA2 H 3.925 0.030 1 3 1 1 GLY HA3 H 3.925 0.030 1 4 1 1 GLY C C 172.786 0.300 1 5 1 1 GLY CA C 45.092 0.300 1 6 1 1 GLY N N 109.419 0.300 1 7 2 2 PRO HA H 4.461 0.030 1 8 2 2 PRO HB2 H 2.316 0.030 2 9 2 2 PRO HB3 H 1.951 0.030 2 10 2 2 PRO HG2 H 2.002 0.030 1 11 2 2 PRO HG3 H 2.002 0.030 1 12 2 2 PRO HD2 H 3.573 0.030 1 13 2 2 PRO HD3 H 3.573 0.030 1 14 2 2 PRO C C 177.033 0.300 1 15 2 2 PRO CA C 63.050 0.300 1 16 2 2 PRO CB C 32.201 0.300 1 17 2 2 PRO CG C 27.275 0.300 1 18 2 2 PRO CD C 49.682 0.300 1 19 3 3 LEU H H 8.540 0.030 1 20 3 3 LEU HA H 4.338 0.030 1 21 3 3 LEU HB2 H 1.685 0.030 1 22 3 3 LEU HB3 H 1.685 0.030 1 23 3 3 LEU HG H 1.662 0.030 1 24 3 3 LEU HD1 H 0.942 0.030 2 25 3 3 LEU HD2 H 0.895 0.030 2 26 3 3 LEU C C 177.950 0.300 1 27 3 3 LEU CA C 55.517 0.300 1 28 3 3 LEU CB C 42.210 0.300 1 29 3 3 LEU CG C 27.023 0.300 1 30 3 3 LEU CD1 C 24.792 0.300 2 31 3 3 LEU CD2 C 23.480 0.300 2 32 3 3 LEU N N 122.413 0.300 1 33 4 4 GLY H H 8.427 0.030 1 34 4 4 GLY HA2 H 3.981 0.030 1 35 4 4 GLY HA3 H 3.981 0.030 1 36 4 4 GLY C C 173.919 0.300 1 37 4 4 GLY CA C 45.067 0.300 1 38 4 4 GLY N N 110.009 0.300 1 39 5 5 SER H H 8.107 0.030 1 40 5 5 SER HA H 4.770 0.030 1 41 5 5 SER HB2 H 3.868 0.030 2 42 5 5 SER HB3 H 3.811 0.030 2 43 5 5 SER C C 172.613 0.300 1 44 5 5 SER CA C 56.475 0.300 1 45 5 5 SER CB C 63.424 0.300 1 46 5 5 SER N N 117.041 0.300 1 47 6 6 PRO HA H 4.461 0.030 1 48 6 6 PRO HB2 H 2.261 0.030 2 49 6 6 PRO HB3 H 1.910 0.030 2 50 6 6 PRO HG2 H 2.011 0.030 1 51 6 6 PRO HG3 H 2.011 0.030 1 52 6 6 PRO HD2 H 3.691 0.030 2 53 6 6 PRO HD3 H 3.805 0.030 2 54 6 6 PRO C C 176.718 0.300 1 55 6 6 PRO CA C 63.045 0.300 1 56 6 6 PRO CB C 32.098 0.300 1 57 6 6 PRO CG C 27.189 0.300 1 58 6 6 PRO CD C 50.710 0.300 1 59 7 7 GLU H H 8.417 0.030 1 60 7 7 GLU HA H 4.528 0.030 1 61 7 7 GLU HB2 H 1.863 0.030 2 62 7 7 GLU HB3 H 2.048 0.030 2 63 7 7 GLU HG2 H 2.314 0.030 1 64 7 7 GLU HG3 H 2.314 0.030 1 65 7 7 GLU C C 174.651 0.300 1 66 7 7 GLU CA C 54.417 0.300 1 67 7 7 GLU CB C 29.673 0.300 1 68 7 7 GLU CG C 36.063 0.300 1 69 7 7 GLU N N 122.876 0.300 1 70 8 8 PRO HA H 4.445 0.030 1 71 8 8 PRO HB2 H 2.243 0.030 2 72 8 8 PRO HB3 H 1.815 0.030 2 73 8 8 PRO HG2 H 1.973 0.030 1 74 8 8 PRO HG3 H 1.973 0.030 1 75 8 8 PRO HD2 H 3.617 0.030 2 76 8 8 PRO HD3 H 3.698 0.030 2 77 8 8 PRO C C 176.506 0.300 1 78 8 8 PRO CA C 62.976 0.300 1 79 8 8 PRO CB C 32.052 0.300 1 80 8 8 PRO CG C 27.286 0.300 1 81 8 8 PRO CD C 50.722 0.300 1 82 9 9 VAL H H 8.201 0.030 1 83 9 9 VAL HA H 4.150 0.030 1 84 9 9 VAL HB H 2.066 0.030 1 85 9 9 VAL HG1 H 1.004 0.030 2 86 9 9 VAL HG2 H 0.963 0.030 2 87 9 9 VAL C C 175.832 0.300 1 88 9 9 VAL CA C 62.181 0.300 1 89 9 9 VAL CB C 32.857 0.300 1 90 9 9 VAL CG1 C 20.673 0.300 2 91 9 9 VAL CG2 C 21.248 0.300 2 92 9 9 VAL N N 120.568 0.300 1 93 10 10 GLY H H 7.972 0.030 1 94 10 10 GLY HA2 H 4.386 0.030 2 95 10 10 GLY HA3 H 3.713 0.030 2 96 10 10 GLY C C 171.962 0.300 1 97 10 10 GLY CA C 44.822 0.300 1 98 10 10 GLY N N 111.499 0.300 1 99 11 11 TRP H H 7.828 0.030 1 100 11 11 TRP HA H 4.590 0.030 1 101 11 11 TRP HB2 H 2.503 0.030 2 102 11 11 TRP HB3 H 1.206 0.030 2 103 11 11 TRP HD1 H 6.691 0.030 1 104 11 11 TRP HE1 H 10.027 0.030 1 105 11 11 TRP HE3 H 7.061 0.030 1 106 11 11 TRP HZ2 H 6.751 0.030 1 107 11 11 TRP HZ3 H 7.037 0.030 1 108 11 11 TRP HH2 H 6.746 0.030 1 109 11 11 TRP C C 174.584 0.300 1 110 11 11 TRP CA C 52.524 0.300 1 111 11 11 TRP CB C 28.832 0.300 1 112 11 11 TRP CD1 C 128.150 0.300 1 113 11 11 TRP CE3 C 118.349 0.300 1 114 11 11 TRP CZ2 C 113.776 0.300 1 115 11 11 TRP CZ3 C 120.635 0.300 1 116 11 11 TRP CH2 C 124.938 0.300 1 117 11 11 TRP N N 115.505 0.300 1 118 11 11 TRP NE1 N 131.518 0.300 1 119 12 12 GLN H H 8.861 0.030 1 120 12 12 GLN HA H 4.222 0.030 1 121 12 12 GLN HB2 H 2.022 0.030 1 122 12 12 GLN HB3 H 2.022 0.030 1 123 12 12 GLN HG2 H 2.051 0.030 2 124 12 12 GLN HG3 H 1.900 0.030 2 125 12 12 GLN HE21 H 7.624 0.030 2 126 12 12 GLN HE22 H 6.912 0.030 2 127 12 12 GLN C C 175.396 0.300 1 128 12 12 GLN CA C 54.982 0.300 1 129 12 12 GLN CB C 28.632 0.300 1 130 12 12 GLN CG C 33.720 0.300 1 131 12 12 GLN N N 124.700 0.300 1 132 12 12 GLN NE2 N 112.135 0.300 1 133 13 13 CYS H H 9.241 0.030 1 134 13 13 CYS HA H 4.875 0.030 1 135 13 13 CYS HB2 H 2.732 0.030 2 136 13 13 CYS HB3 H 3.277 0.030 2 137 13 13 CYS C C 176.574 0.300 1 138 13 13 CYS CA C 57.559 0.300 1 139 13 13 CYS CB C 31.854 0.300 1 140 13 13 CYS N N 133.955 0.300 1 141 14 14 PRO HA H 4.550 0.030 1 142 14 14 PRO HB2 H 2.471 0.030 2 143 14 14 PRO HB3 H 1.991 0.030 2 144 14 14 PRO HG2 H 2.015 0.030 1 145 14 14 PRO HG3 H 2.015 0.030 1 146 14 14 PRO HD2 H 4.301 0.030 2 147 14 14 PRO HD3 H 4.402 0.030 2 148 14 14 PRO C C 177.143 0.300 1 149 14 14 PRO CA C 63.972 0.300 1 150 14 14 PRO CB C 32.376 0.300 1 151 14 14 PRO CG C 27.358 0.300 1 152 14 14 PRO CD C 51.277 0.300 1 153 15 15 GLY H H 9.544 0.030 1 154 15 15 GLY HA2 H 4.136 0.030 2 155 15 15 GLY HA3 H 3.705 0.030 2 156 15 15 GLY C C 174.820 0.300 1 157 15 15 GLY CA C 46.229 0.300 1 158 15 15 GLY N N 110.879 0.300 1 159 16 16 CYS H H 8.667 0.030 1 160 16 16 CYS HA H 5.162 0.030 1 161 16 16 CYS HB2 H 3.253 0.030 2 162 16 16 CYS HB3 H 2.576 0.030 2 163 16 16 CYS C C 178.216 0.300 1 164 16 16 CYS CA C 59.063 0.300 1 165 16 16 CYS CB C 32.786 0.300 1 166 16 16 CYS N N 121.260 0.300 1 167 17 17 THR H H 8.087 0.030 1 168 17 17 THR HA H 4.152 0.030 1 169 17 17 THR HB H 4.437 0.030 1 170 17 17 THR HG2 H 1.158 0.030 1 171 17 17 THR C C 172.197 0.300 1 172 17 17 THR CA C 66.212 0.300 1 173 17 17 THR CB C 70.068 0.300 1 174 17 17 THR CG2 C 21.619 0.300 1 175 17 17 THR N N 117.378 0.300 1 176 18 18 PHE H H 8.983 0.030 1 177 18 18 PHE HA H 4.162 0.030 1 178 18 18 PHE HB2 H 3.294 0.030 2 179 18 18 PHE HB3 H 2.617 0.030 2 180 18 18 PHE HD1 H 7.199 0.030 3 181 18 18 PHE HD2 H 7.005 0.030 3 182 18 18 PHE HE1 H 7.204 0.030 1 183 18 18 PHE HE2 H 7.204 0.030 1 184 18 18 PHE HZ H 7.193 0.030 1 185 18 18 PHE C C 174.541 0.300 1 186 18 18 PHE CA C 60.560 0.300 1 187 18 18 PHE CB C 41.292 0.300 1 188 18 18 PHE CD1 C 131.907 0.300 3 189 18 18 PHE CD2 C 131.896 0.300 3 190 18 18 PHE CE1 C 129.732 0.300 3 191 18 18 PHE CE2 C 129.732 0.300 3 192 18 18 PHE CZ C 124.834 0.300 1 193 18 18 PHE N N 128.116 0.300 1 194 19 19 ILE H H 7.002 0.030 1 195 19 19 ILE HA H 3.951 0.030 1 196 19 19 ILE HB H 1.334 0.030 1 197 19 19 ILE HG12 H 0.729 0.030 2 198 19 19 ILE HG13 H 1.432 0.030 2 199 19 19 ILE HG2 H 0.290 0.030 1 200 19 19 ILE HD1 H 0.658 0.030 1 201 19 19 ILE C C 173.972 0.300 1 202 19 19 ILE CA C 60.290 0.300 1 203 19 19 ILE CB C 35.998 0.300 1 204 19 19 ILE CG1 C 27.487 0.300 1 205 19 19 ILE CG2 C 16.941 0.300 1 206 19 19 ILE CD1 C 11.969 0.300 1 207 19 19 ILE N N 125.506 0.300 1 208 20 20 ASN H H 8.218 0.030 1 209 20 20 ASN HA H 4.494 0.030 1 210 20 20 ASN HB2 H 1.691 0.030 2 211 20 20 ASN HB3 H 0.083 0.030 2 212 20 20 ASN C C 174.232 0.300 1 213 20 20 ASN CA C 52.543 0.300 1 214 20 20 ASN CB C 43.179 0.300 1 215 20 20 ASN N N 126.243 0.300 1 216 21 21 LYS H H 8.431 0.030 1 217 21 21 LYS HA H 4.409 0.030 1 218 21 21 LYS HB2 H 1.697 0.030 2 219 21 21 LYS HB3 H 1.982 0.030 2 220 21 21 LYS HG2 H 1.591 0.030 2 221 21 21 LYS HG3 H 1.714 0.030 2 222 21 21 LYS HD2 H 1.719 0.030 2 223 21 21 LYS HD3 H 1.846 0.030 2 224 21 21 LYS HE2 H 3.094 0.030 1 225 21 21 LYS HE3 H 3.094 0.030 1 226 21 21 LYS C C 176.306 0.300 1 227 21 21 LYS CA C 55.085 0.300 1 228 21 21 LYS CB C 31.680 0.300 1 229 21 21 LYS CG C 25.732 0.300 1 230 21 21 LYS CD C 29.471 0.300 1 231 21 21 LYS CE C 42.342 0.300 1 232 21 21 LYS N N 119.580 0.300 1 233 22 22 PRO HA H 4.331 0.030 1 234 22 22 PRO HB2 H 2.632 0.030 2 235 22 22 PRO HB3 H 1.658 0.030 2 236 22 22 PRO HG2 H 1.300 0.030 1 237 22 22 PRO HG3 H 1.300 0.030 1 238 22 22 PRO HD2 H 3.872 0.030 2 239 22 22 PRO HD3 H 3.505 0.030 2 240 22 22 PRO C C 176.220 0.300 1 241 22 22 PRO CA C 66.532 0.300 1 242 22 22 PRO CB C 34.409 0.300 1 243 22 22 PRO CG C 26.947 0.300 1 244 22 22 PRO CD C 50.014 0.300 1 245 23 23 THR H H 6.945 0.030 1 246 23 23 THR HA H 4.038 0.030 1 247 23 23 THR HB H 4.632 0.030 1 248 23 23 THR HG2 H 1.350 0.030 1 249 23 23 THR C C 175.335 0.300 1 250 23 23 THR CA C 61.222 0.300 1 251 23 23 THR CB C 69.007 0.300 1 252 23 23 THR CG2 C 22.813 0.300 1 253 23 23 THR N N 97.427 0.300 1 254 24 24 ARG H H 8.155 0.030 1 255 24 24 ARG HA H 4.745 0.030 1 256 24 24 ARG HB2 H 2.205 0.030 2 257 24 24 ARG HB3 H 2.066 0.030 2 258 24 24 ARG HD2 H 3.525 0.030 1 259 24 24 ARG HD3 H 3.525 0.030 1 260 24 24 ARG C C 176.938 0.300 1 261 24 24 ARG CA C 54.252 0.300 1 262 24 24 ARG CB C 31.315 0.300 1 263 24 24 ARG CD C 43.952 0.300 1 264 24 24 ARG N N 126.166 0.300 1 265 25 25 PRO HA H 4.298 0.030 1 266 25 25 PRO HB2 H 2.216 0.030 2 267 25 25 PRO HB3 H 2.085 0.030 2 268 25 25 PRO HG2 H 2.114 0.030 1 269 25 25 PRO HG3 H 2.114 0.030 1 270 25 25 PRO HD2 H 3.962 0.030 2 271 25 25 PRO HD3 H 4.298 0.030 2 272 25 25 PRO C C 176.056 0.300 1 273 25 25 PRO CA C 64.352 0.300 1 274 25 25 PRO CB C 31.983 0.300 1 275 25 25 PRO CG C 26.985 0.300 1 276 25 25 PRO CD C 51.249 0.300 1 277 26 26 GLY H H 7.528 0.030 1 278 26 26 GLY HA2 H 4.924 0.030 2 279 26 26 GLY HA3 H 3.669 0.030 2 280 26 26 GLY C C 172.089 0.300 1 281 26 26 GLY CA C 43.862 0.300 1 282 26 26 GLY N N 108.770 0.300 1 283 27 27 CYS H H 9.518 0.030 1 284 27 27 CYS HA H 4.016 0.030 1 285 27 27 CYS HB2 H 3.269 0.030 1 286 27 27 CYS HB3 H 3.269 0.030 1 287 27 27 CYS C C 178.501 0.300 1 288 27 27 CYS CA C 59.176 0.300 1 289 27 27 CYS CB C 30.486 0.300 1 290 27 27 CYS N N 124.318 0.300 1 291 28 28 GLU H H 9.090 0.030 1 292 28 28 GLU HA H 3.870 0.030 1 293 28 28 GLU HB2 H 2.009 0.030 2 294 28 28 GLU HB3 H 1.812 0.030 2 295 28 28 GLU HG2 H 2.106 0.030 1 296 28 28 GLU HG3 H 2.106 0.030 1 297 28 28 GLU C C 176.009 0.300 1 298 28 28 GLU CA C 59.174 0.300 1 299 28 28 GLU CB C 31.467 0.300 1 300 28 28 GLU CG C 36.444 0.300 1 301 28 28 GLU N N 131.586 0.300 1 302 29 29 MET H H 8.907 0.030 1 303 29 29 MET HA H 4.472 0.030 1 304 29 29 MET HB2 H 1.851 0.030 2 305 29 29 MET HB3 H 1.942 0.030 2 306 29 29 MET HG2 H 1.202 0.030 2 307 29 29 MET HG3 H 2.014 0.030 2 308 29 29 MET HE H 1.699 0.030 1 309 29 29 MET C C 177.955 0.300 1 310 29 29 MET CA C 55.272 0.300 1 311 29 29 MET CB C 32.999 0.300 1 312 29 29 MET CG C 31.680 0.300 1 313 29 29 MET CE C 17.069 0.300 1 314 29 29 MET N N 117.319 0.300 1 315 30 30 CYS H H 8.345 0.030 1 316 30 30 CYS HA H 5.052 0.030 1 317 30 30 CYS HB2 H 3.201 0.030 2 318 30 30 CYS HB3 H 2.519 0.030 2 319 30 30 CYS C C 176.836 0.300 1 320 30 30 CYS CA C 59.077 0.300 1 321 30 30 CYS CB C 32.420 0.300 1 322 30 30 CYS N N 119.234 0.300 1 323 31 31 CYS H H 8.039 0.030 1 324 31 31 CYS HA H 4.419 0.030 1 325 31 31 CYS HB2 H 3.578 0.030 2 326 31 31 CYS HB3 H 3.354 0.030 2 327 31 31 CYS C C 174.063 0.300 1 328 31 31 CYS CA C 59.571 0.300 1 329 31 31 CYS CB C 38.384 0.300 1 330 31 31 CYS N N 116.101 0.300 1 331 32 32 ARG H H 8.569 0.030 1 332 32 32 ARG HA H 4.183 0.030 1 333 32 32 ARG HB2 H 2.035 0.030 1 334 32 32 ARG HB3 H 2.035 0.030 1 335 32 32 ARG HG2 H 1.859 0.030 1 336 32 32 ARG HG3 H 1.859 0.030 1 337 32 32 ARG HD2 H 3.249 0.030 1 338 32 32 ARG HD3 H 3.249 0.030 1 339 32 32 ARG C C 175.742 0.300 1 340 32 32 ARG CA C 57.556 0.300 1 341 32 32 ARG CB C 31.347 0.300 1 342 32 32 ARG CG C 28.396 0.300 1 343 32 32 ARG CD C 43.387 0.300 1 344 32 32 ARG N N 124.967 0.300 1 345 33 33 ALA H H 8.507 0.030 1 346 33 33 ALA HA H 4.363 0.030 1 347 33 33 ALA HB H 1.369 0.030 1 348 33 33 ALA C C 176.612 0.300 1 349 33 33 ALA CA C 52.878 0.300 1 350 33 33 ALA CB C 19.520 0.300 1 351 33 33 ALA N N 125.910 0.300 1 352 34 34 ARG H H 7.474 0.030 1 353 34 34 ARG HA H 2.032 0.030 1 354 34 34 ARG HB2 H 1.252 0.030 2 355 34 34 ARG HB3 H 0.732 0.030 2 356 34 34 ARG HD2 H 2.772 0.030 1 357 34 34 ARG HD3 H 2.772 0.030 1 358 34 34 ARG HE H 7.139 0.030 1 359 34 34 ARG C C 174.493 0.300 1 360 34 34 ARG CA C 53.587 0.300 1 361 34 34 ARG CB C 31.539 0.300 1 362 34 34 ARG CD C 43.627 0.300 1 363 34 34 ARG N N 123.437 0.300 1 364 34 34 ARG NE N 84.978 0.300 1 365 35 35 PRO HA H 4.228 0.030 1 366 35 35 PRO HB2 H 2.365 0.030 2 367 35 35 PRO HB3 H 1.815 0.030 2 368 35 35 PRO HG2 H 2.162 0.030 2 369 35 35 PRO HG3 H 1.891 0.030 2 370 35 35 PRO HD2 H 3.486 0.030 2 371 35 35 PRO HD3 H 2.600 0.030 2 372 35 35 PRO C C 178.262 0.300 1 373 35 35 PRO CA C 63.302 0.300 1 374 35 35 PRO CB C 32.641 0.300 1 375 35 35 PRO CG C 27.724 0.300 1 376 35 35 PRO CD C 51.799 0.300 1 377 36 36 GLU H H 9.150 0.030 1 378 36 36 GLU HA H 4.066 0.030 1 379 36 36 GLU HB2 H 2.089 0.030 1 380 36 36 GLU HB3 H 2.089 0.030 1 381 36 36 GLU HG2 H 2.320 0.030 1 382 36 36 GLU HG3 H 2.320 0.030 1 383 36 36 GLU C C 176.649 0.300 1 384 36 36 GLU CA C 58.716 0.300 1 385 36 36 GLU CB C 29.598 0.300 1 386 36 36 GLU CG C 36.134 0.300 1 387 36 36 GLU N N 124.872 0.300 1 388 37 37 THR H H 7.309 0.030 1 389 37 37 THR HA H 4.112 0.030 1 390 37 37 THR HB H 4.405 0.030 1 391 37 37 THR HG2 H 1.218 0.030 1 392 37 37 THR C C 174.821 0.300 1 393 37 37 THR CA C 61.367 0.300 1 394 37 37 THR CB C 69.083 0.300 1 395 37 37 THR CG2 C 22.142 0.300 1 396 37 37 THR N N 105.367 0.300 1 397 38 38 TYR H H 7.317 0.030 1 398 38 38 TYR HA H 4.347 0.030 1 399 38 38 TYR HB2 H 2.885 0.030 2 400 38 38 TYR HB3 H 2.617 0.030 2 401 38 38 TYR HD1 H 6.874 0.030 1 402 38 38 TYR HD2 H 6.874 0.030 1 403 38 38 TYR HE1 H 6.779 0.030 1 404 38 38 TYR HE2 H 6.779 0.030 1 405 38 38 TYR C C 174.351 0.300 1 406 38 38 TYR CA C 58.919 0.300 1 407 38 38 TYR CB C 38.208 0.300 1 408 38 38 TYR CD1 C 132.948 0.300 1 409 38 38 TYR CD2 C 132.948 0.300 1 410 38 38 TYR CE1 C 118.134 0.300 1 411 38 38 TYR CE2 C 118.134 0.300 1 412 38 38 TYR N N 122.950 0.300 1 413 39 39 GLN H H 7.720 0.030 1 414 39 39 GLN HA H 4.215 0.030 1 415 39 39 GLN HB2 H 1.756 0.030 2 416 39 39 GLN HB3 H 1.650 0.030 2 417 39 39 GLN HG2 H 2.156 0.030 1 418 39 39 GLN HG3 H 2.156 0.030 1 419 39 39 GLN HE21 H 7.384 0.030 2 420 39 39 GLN HE22 H 6.776 0.030 2 421 39 39 GLN C C 173.929 0.300 1 422 39 39 GLN CA C 53.602 0.300 1 423 39 39 GLN CB C 29.849 0.300 1 424 39 39 GLN CG C 33.543 0.300 1 425 39 39 GLN N N 127.884 0.300 1 426 39 39 GLN NE2 N 112.835 0.300 1 427 40 40 ILE H H 8.259 0.030 1 428 40 40 ILE HA H 3.898 0.030 1 429 40 40 ILE HB H 1.685 0.030 1 430 40 40 ILE HG12 H 1.063 0.030 2 431 40 40 ILE HG13 H 1.592 0.030 2 432 40 40 ILE HG2 H 0.925 0.030 1 433 40 40 ILE HD1 H 0.848 0.030 1 434 40 40 ILE C C 174.930 0.300 1 435 40 40 ILE CA C 59.710 0.300 1 436 40 40 ILE CB C 38.715 0.300 1 437 40 40 ILE CG1 C 28.338 0.300 1 438 40 40 ILE CG2 C 17.044 0.300 1 439 40 40 ILE CD1 C 13.544 0.300 1 440 40 40 ILE N N 126.078 0.300 1 441 41 41 PRO HA H 4.352 0.030 1 442 41 41 PRO HB2 H 2.400 0.030 2 443 41 41 PRO HB3 H 1.946 0.030 2 444 41 41 PRO HG2 H 2.034 0.030 1 445 41 41 PRO HG3 H 2.034 0.030 1 446 41 41 PRO HD2 H 4.136 0.030 2 447 41 41 PRO HD3 H 3.339 0.030 2 448 41 41 PRO C C 177.538 0.300 1 449 41 41 PRO CA C 63.140 0.300 1 450 41 41 PRO CB C 32.250 0.300 1 451 41 41 PRO CG C 27.954 0.300 1 452 41 41 PRO CD C 51.286 0.300 1 453 42 42 ALA H H 8.669 0.030 1 454 42 42 ALA HA H 4.174 0.030 1 455 42 42 ALA HB H 1.414 0.030 1 456 42 42 ALA C C 178.411 0.300 1 457 42 42 ALA CA C 54.112 0.300 1 458 42 42 ALA CB C 18.625 0.300 1 459 42 42 ALA N N 126.465 0.300 1 460 43 43 SER H H 8.074 0.030 1 461 43 43 SER HA H 4.323 0.030 1 462 43 43 SER HB2 H 3.986 0.030 1 463 43 43 SER HB3 H 3.986 0.030 1 464 43 43 SER C C 174.518 0.300 1 465 43 43 SER CA C 58.178 0.300 1 466 43 43 SER CB C 63.425 0.300 1 467 43 43 SER N N 110.127 0.300 1 468 44 44 TYR H H 7.787 0.030 1 469 44 44 TYR HA H 4.407 0.030 1 470 44 44 TYR HB2 H 2.905 0.030 1 471 44 44 TYR HB3 H 2.905 0.030 1 472 44 44 TYR HD1 H 7.064 0.030 1 473 44 44 TYR HD2 H 7.064 0.030 1 474 44 44 TYR HE1 H 6.895 0.030 1 475 44 44 TYR HE2 H 6.895 0.030 1 476 44 44 TYR C C 174.721 0.300 1 477 44 44 TYR CA C 58.996 0.300 1 478 44 44 TYR CB C 38.947 0.300 1 479 44 44 TYR CD1 C 133.066 0.300 1 480 44 44 TYR CD2 C 133.066 0.300 1 481 44 44 TYR CE1 C 118.364 0.300 1 482 44 44 TYR CE2 C 118.364 0.300 1 483 44 44 TYR N N 122.605 0.300 1 484 45 45 GLN H H 7.940 0.030 1 485 45 45 GLN HA H 4.568 0.030 1 486 45 45 GLN HB2 H 1.812 0.030 1 487 45 45 GLN HB3 H 1.812 0.030 1 488 45 45 GLN HG2 H 2.280 0.030 1 489 45 45 GLN HG3 H 2.280 0.030 1 490 45 45 GLN HE21 H 7.474 0.030 2 491 45 45 GLN HE22 H 6.812 0.030 2 492 45 45 GLN C C 172.629 0.300 1 493 45 45 GLN CA C 52.533 0.300 1 494 45 45 GLN CB C 29.517 0.300 1 495 45 45 GLN CG C 33.334 0.300 1 496 45 45 GLN N N 126.983 0.300 1 497 45 45 GLN NE2 N 112.185 0.300 1 498 46 46 PRO HA H 4.298 0.030 1 499 46 46 PRO HB2 H 2.243 0.030 2 500 46 46 PRO HB3 H 1.895 0.030 2 501 46 46 PRO HG2 H 1.972 0.030 1 502 46 46 PRO HG3 H 1.972 0.030 1 503 46 46 PRO HD2 H 3.614 0.030 2 504 46 46 PRO HD3 H 3.497 0.030 2 505 46 46 PRO C C 176.533 0.300 1 506 46 46 PRO CA C 63.021 0.300 1 507 46 46 PRO CB C 32.097 0.300 1 508 46 46 PRO CG C 27.209 0.300 1 509 46 46 PRO CD C 50.721 0.300 1 510 47 47 ASP H H 8.201 0.030 1 511 47 47 ASP HA H 4.573 0.030 1 512 47 47 ASP HB2 H 3.000 0.030 2 513 47 47 ASP HB3 H 2.794 0.030 2 514 47 47 ASP C C 176.114 0.300 1 515 47 47 ASP CA C 53.825 0.300 1 516 47 47 ASP CB C 41.022 0.300 1 517 47 47 ASP N N 120.854 0.300 1 518 48 48 GLU H H 8.529 0.030 1 519 48 48 GLU HA H 4.014 0.030 1 520 48 48 GLU HB2 H 2.056 0.030 1 521 48 48 GLU HB3 H 2.056 0.030 1 522 48 48 GLU HG2 H 2.268 0.030 1 523 48 48 GLU HG3 H 2.268 0.030 1 524 48 48 GLU C C 178.466 0.300 1 525 48 48 GLU CA C 59.250 0.300 1 526 48 48 GLU CB C 29.866 0.300 1 527 48 48 GLU CG C 36.483 0.300 1 528 48 48 GLU N N 119.528 0.300 1 529 49 49 GLU H H 8.321 0.030 1 530 49 49 GLU HA H 4.127 0.030 1 531 49 49 GLU HB2 H 2.089 0.030 1 532 49 49 GLU HB3 H 2.089 0.030 1 533 49 49 GLU HG2 H 2.320 0.030 1 534 49 49 GLU HG3 H 2.320 0.030 1 535 49 49 GLU C C 178.649 0.300 1 536 49 49 GLU CA C 58.948 0.300 1 537 49 49 GLU CB C 29.667 0.300 1 538 49 49 GLU CG C 36.202 0.300 1 539 49 49 GLU N N 120.917 0.300 1 540 50 50 GLU H H 8.367 0.030 1 541 50 50 GLU HA H 4.261 0.030 1 542 50 50 GLU HB2 H 2.089 0.030 1 543 50 50 GLU HB3 H 2.089 0.030 1 544 50 50 GLU HG2 H 2.364 0.030 1 545 50 50 GLU HG3 H 2.364 0.030 1 546 50 50 GLU C C 178.408 0.300 1 547 50 50 GLU CA C 58.364 0.300 1 548 50 50 GLU CB C 29.728 0.300 1 549 50 50 GLU CG C 36.451 0.300 1 550 50 50 GLU N N 122.230 0.300 1 551 51 51 ARG H H 8.600 0.030 1 552 51 51 ARG HA H 4.014 0.030 1 553 51 51 ARG HB2 H 1.853 0.030 1 554 51 51 ARG HB3 H 1.853 0.030 1 555 51 51 ARG HG2 H 1.571 0.030 1 556 51 51 ARG HG3 H 1.571 0.030 1 557 51 51 ARG HD2 H 3.196 0.030 1 558 51 51 ARG HD3 H 3.196 0.030 1 559 51 51 ARG C C 178.639 0.300 1 560 51 51 ARG CA C 59.217 0.300 1 561 51 51 ARG CB C 30.158 0.300 1 562 51 51 ARG CG C 27.656 0.300 1 563 51 51 ARG CD C 43.453 0.300 1 564 51 51 ARG N N 119.767 0.300 1 565 52 52 ALA H H 8.001 0.030 1 566 52 52 ALA HA H 4.210 0.030 1 567 52 52 ALA HB H 1.487 0.030 1 568 52 52 ALA C C 179.763 0.300 1 569 52 52 ALA CA C 54.296 0.300 1 570 52 52 ALA CB C 18.303 0.300 1 571 52 52 ALA N N 122.234 0.300 1 572 53 53 ARG H H 8.035 0.030 1 573 53 53 ARG HA H 4.147 0.030 1 574 53 53 ARG HB2 H 1.926 0.030 1 575 53 53 ARG HB3 H 1.926 0.030 1 576 53 53 ARG HG2 H 1.733 0.030 1 577 53 53 ARG HG3 H 1.733 0.030 1 578 53 53 ARG HD2 H 3.295 0.030 1 579 53 53 ARG HD3 H 3.295 0.030 1 580 53 53 ARG C C 178.845 0.300 1 581 53 53 ARG CA C 58.356 0.300 1 582 53 53 ARG CB C 30.356 0.300 1 583 53 53 ARG CG C 27.402 0.300 1 584 53 53 ARG CD C 43.068 0.300 1 585 53 53 ARG N N 120.699 0.300 1 586 54 54 LEU H H 8.363 0.030 1 587 54 54 LEU HA H 4.174 0.030 1 588 54 54 LEU HB2 H 1.821 0.030 2 589 54 54 LEU HB3 H 1.585 0.030 2 590 54 54 LEU HG H 1.710 0.030 1 591 54 54 LEU HD1 H 0.932 0.030 2 592 54 54 LEU HD2 H 0.926 0.030 2 593 54 54 LEU C C 178.731 0.300 1 594 54 54 LEU CA C 56.745 0.300 1 595 54 54 LEU CB C 42.106 0.300 1 596 54 54 LEU CG C 26.921 0.300 1 597 54 54 LEU CD1 C 25.073 0.300 2 598 54 54 LEU CD2 C 23.257 0.300 2 599 54 54 LEU N N 121.174 0.300 1 600 55 55 ALA H H 8.057 0.030 1 601 55 55 ALA HA H 4.281 0.030 1 602 55 55 ALA HB H 1.484 0.030 1 603 55 55 ALA C C 179.558 0.300 1 604 55 55 ALA CA C 53.923 0.300 1 605 55 55 ALA CB C 18.579 0.300 1 606 55 55 ALA N N 122.362 0.300 1 607 56 56 GLY H H 8.130 0.030 1 608 56 56 GLY HA2 H 3.999 0.030 1 609 56 56 GLY HA3 H 3.999 0.030 1 610 56 56 GLY C C 175.619 0.300 1 611 56 56 GLY CA C 46.080 0.300 1 612 56 56 GLY N N 106.833 0.300 1 613 57 57 GLU H H 8.085 0.030 1 614 57 57 GLU HA H 4.144 0.030 1 615 57 57 GLU HB2 H 2.089 0.030 1 616 57 57 GLU HB3 H 2.089 0.030 1 617 57 57 GLU HG2 H 2.347 0.030 1 618 57 57 GLU HG3 H 2.347 0.030 1 619 57 57 GLU C C 177.954 0.300 1 620 57 57 GLU CA C 58.291 0.300 1 621 57 57 GLU CB C 29.891 0.300 1 622 57 57 GLU CG C 36.449 0.300 1 623 57 57 GLU N N 121.495 0.300 1 624 58 58 GLU H H 8.261 0.030 1 625 58 58 GLU HA H 4.104 0.030 1 626 58 58 GLU HB2 H 2.056 0.030 1 627 58 58 GLU HB3 H 2.056 0.030 1 628 58 58 GLU HG2 H 2.320 0.030 1 629 58 58 GLU HG3 H 2.320 0.030 1 630 58 58 GLU C C 177.789 0.300 1 631 58 58 GLU CA C 58.148 0.300 1 632 58 58 GLU CB C 29.807 0.300 1 633 58 58 GLU CG C 36.523 0.300 1 634 58 58 GLU N N 120.728 0.300 1 635 59 59 GLU H H 8.309 0.030 1 636 59 59 GLU HA H 4.106 0.030 1 637 59 59 GLU HB2 H 2.064 0.030 1 638 59 59 GLU HB3 H 2.064 0.030 1 639 59 59 GLU HG2 H 2.314 0.030 1 640 59 59 GLU HG3 H 2.314 0.030 1 641 59 59 GLU C C 177.925 0.300 1 642 59 59 GLU CA C 58.143 0.300 1 643 59 59 GLU CB C 29.752 0.300 1 644 59 59 GLU CG C 36.300 0.300 1 645 59 59 GLU N N 120.705 0.300 1 646 60 60 ALA H H 8.028 0.030 1 647 60 60 ALA HA H 4.214 0.030 1 648 60 60 ALA HB H 1.463 0.030 1 649 60 60 ALA C C 178.962 0.300 1 650 60 60 ALA CA C 53.746 0.300 1 651 60 60 ALA CB C 18.683 0.300 1 652 60 60 ALA N N 122.564 0.300 1 653 61 61 LEU H H 7.857 0.030 1 654 61 61 LEU HA H 4.279 0.030 1 655 61 61 LEU HB2 H 1.751 0.030 2 656 61 61 LEU HB3 H 1.628 0.030 2 657 61 61 LEU HG H 1.777 0.030 1 658 61 61 LEU HD1 H 0.929 0.030 2 659 61 61 LEU HD2 H 0.912 0.030 2 660 61 61 LEU C C 178.237 0.300 1 661 61 61 LEU CA C 55.897 0.300 1 662 61 61 LEU CB C 42.109 0.300 1 663 61 61 LEU CG C 27.004 0.300 1 664 61 61 LEU CD1 C 24.973 0.300 2 665 61 61 LEU CD2 C 23.409 0.300 2 666 61 61 LEU N N 118.701 0.300 1 667 62 62 ARG H H 7.886 0.030 1 668 62 62 ARG HA H 4.208 0.030 1 669 62 62 ARG HB2 H 1.816 0.030 1 670 62 62 ARG HB3 H 1.816 0.030 1 671 62 62 ARG HG2 H 1.608 0.030 1 672 62 62 ARG HG3 H 1.608 0.030 1 673 62 62 ARG HD2 H 3.199 0.030 1 674 62 62 ARG HD3 H 3.199 0.030 1 675 62 62 ARG C C 176.818 0.300 1 676 62 62 ARG CA C 57.015 0.300 1 677 62 62 ARG CB C 30.508 0.300 1 678 62 62 ARG CG C 27.370 0.300 1 679 62 62 ARG CD C 43.453 0.300 1 680 62 62 ARG N N 120.107 0.300 1 681 63 63 GLN H H 8.057 0.030 1 682 63 63 GLN HA H 4.225 0.030 1 683 63 63 GLN HB2 H 1.980 0.030 1 684 63 63 GLN HB3 H 1.980 0.030 1 685 63 63 GLN HG2 H 2.220 0.030 1 686 63 63 GLN HG3 H 2.220 0.030 1 687 63 63 GLN C C 175.850 0.300 1 688 63 63 GLN CA C 56.166 0.300 1 689 63 63 GLN CB C 29.252 0.300 1 690 63 63 GLN CG C 33.609 0.300 1 691 63 63 GLN N N 119.396 0.300 1 692 64 64 TYR H H 8.022 0.030 1 693 64 64 TYR HA H 4.591 0.030 1 694 64 64 TYR HB2 H 3.125 0.030 2 695 64 64 TYR HB3 H 2.954 0.030 2 696 64 64 TYR HD1 H 7.140 0.030 1 697 64 64 TYR HD2 H 7.140 0.030 1 698 64 64 TYR HE1 H 6.816 0.030 1 699 64 64 TYR HE2 H 6.816 0.030 1 700 64 64 TYR C C 175.535 0.300 1 701 64 64 TYR CA C 57.932 0.300 1 702 64 64 TYR CB C 38.681 0.300 1 703 64 64 TYR CD1 C 133.205 0.300 1 704 64 64 TYR CD2 C 133.205 0.300 1 705 64 64 TYR CE1 C 118.088 0.300 1 706 64 64 TYR CE2 C 118.088 0.300 1 707 64 64 TYR N N 120.249 0.300 1 708 65 65 GLN H H 8.120 0.030 1 709 65 65 GLN HA H 4.315 0.030 1 710 65 65 GLN HB2 H 2.113 0.030 2 711 65 65 GLN HB3 H 1.967 0.030 2 712 65 65 GLN HG2 H 2.330 0.030 1 713 65 65 GLN HG3 H 2.330 0.030 1 714 65 65 GLN C C 174.733 0.300 1 715 65 65 GLN CA C 55.762 0.300 1 716 65 65 GLN CB C 29.621 0.300 1 717 65 65 GLN CG C 33.831 0.300 1 718 65 65 GLN N N 122.002 0.300 1 719 66 66 GLN H H 7.981 0.030 1 720 66 66 GLN HA H 4.134 0.030 1 721 66 66 GLN HB2 H 1.925 0.030 1 722 66 66 GLN HB3 H 1.925 0.030 1 723 66 66 GLN HG2 H 2.305 0.030 1 724 66 66 GLN HG3 H 2.305 0.030 1 725 66 66 GLN HE21 H 7.511 0.030 1 726 66 66 GLN HE22 H 7.511 0.030 1 727 66 66 GLN C C 180.610 0.300 1 728 66 66 GLN CA C 57.508 0.300 1 729 66 66 GLN CB C 30.458 0.300 1 730 66 66 GLN CG C 34.362 0.300 1 731 66 66 GLN N N 127.065 0.300 1 732 66 66 GLN NE2 N 112.111 0.300 1 stop_ save_