data_15473 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Backbone 1H, 13C, and 15N Chemical Shift Assignments for 8M Urea Denatured State of dSUMO-3(dSMT3) ; _BMRB_accession_number 15473 _BMRB_flat_file_name bmr15473.str _Entry_type original _Submission_date 2007-09-17 _Accession_date 2007-09-17 _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 Kumar Dinesh . I 2 Misra Jyoti Ranjan II 3 Chugh Jeetender . III 4 Sharma Shilpy . IV stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 354 "13C chemical shifts" 261 "15N chemical shifts" 90 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2009-08-12 update BMRB 'added PubMed ID' 2008-06-04 update BMRB 'complete entry citation' 2008-05-05 update author 'update chemical shifts' 2007-09-19 original author 'original release' stop_ save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title '1H, 15N, 13C resonance assignment of folded and 8 M urea-denatured state of SUMO from Drosophila melanogaster' _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 19636913 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Kumar Dinesh . . 2 Kumar Ashutosh . . 3 Misra 'Jyoti Ranjan' . . 4 Chugh Jeetender . . 5 Sharma Shilpy . . 6 Hosur Ramakrishna V. . stop_ _Journal_abbreviation 'Biomol. NMR Assignments' _Journal_volume 2 _Journal_issue 1 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 13 _Page_last 15 _Year 2008 _Details . loop_ _Keyword 'Denatured State' NMR stop_ save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name dSUMO _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label dSUMO $dSUMO stop_ _System_molecular_weight 9972.2 _System_physical_state denatured _System_oligomer_state ? _System_paramagnetic no _System_thiol_state . loop_ _Biological_function 'Post translational Modification' stop_ _Database_query_date . _Details . save_ ######################## # Monomeric polymers # ######################## save_dSUMO _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common dSUMO _Molecular_mass 9972.2 _Mol_thiol_state 'all free' loop_ _Biological_function 'Post translational Modification' stop_ _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 90 _Mol_residue_sequence ; GSMSDEKKGGETEHINLKVL GQDNAVVQFKIKKHTPLRKL MNAYCDRAGLSMQVVRFRFD GQPINENDTPTSLEMEEGDT IEVYQQQTGG ; loop_ _Residue_seq_code _Residue_author_seq_code _Residue_label 1 -2 GLY 2 -1 SER 3 1 MET 4 2 SER 5 3 ASP 6 4 GLU 7 5 LYS 8 6 LYS 9 7 GLY 10 8 GLY 11 9 GLU 12 10 THR 13 11 GLU 14 12 HIS 15 13 ILE 16 14 ASN 17 15 LEU 18 16 LYS 19 17 VAL 20 18 LEU 21 19 GLY 22 20 GLN 23 21 ASP 24 22 ASN 25 23 ALA 26 24 VAL 27 25 VAL 28 26 GLN 29 27 PHE 30 28 LYS 31 29 ILE 32 30 LYS 33 31 LYS 34 32 HIS 35 33 THR 36 34 PRO 37 35 LEU 38 36 ARG 39 37 LYS 40 38 LEU 41 39 MET 42 40 ASN 43 41 ALA 44 42 TYR 45 43 CYS 46 44 ASP 47 45 ARG 48 46 ALA 49 47 GLY 50 48 LEU 51 49 SER 52 50 MET 53 51 GLN 54 52 VAL 55 53 VAL 56 54 ARG 57 55 PHE 58 56 ARG 59 57 PHE 60 58 ASP 61 59 GLY 62 60 GLN 63 61 PRO 64 62 ILE 65 63 ASN 66 64 GLU 67 65 ASN 68 66 ASP 69 67 THR 70 68 PRO 71 69 THR 72 70 SER 73 71 LEU 74 72 GLU 75 73 MET 76 74 GLU 77 75 GLU 78 76 GLY 79 77 ASP 80 78 THR 81 79 ILE 82 80 GLU 83 81 VAL 84 82 TYR 85 83 GLN 86 84 GLN 87 85 GLN 88 86 THR 89 87 GLY 90 88 GLY stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2015-10-28 loop_ _Database_name _Database_accession_code _Database_entry_mol_name _Sequence_query_to_submitted_percentage _Sequence_subject_length _Sequence_identity _Sequence_positive _Sequence_homology_expectation_value PDB 2K1F "Sumo-3 From Drosophila Melanogaster (Dsmt3)" 97.78 88 100.00 100.00 6.89e-58 EMBL CBA18485 "smt3 protein [synthetic construct]" 97.78 90 97.73 97.73 7.78e-57 GB AAD19219 "ubiquitin-like protein SMT3 [Drosophila melanogaster]" 97.78 90 100.00 100.00 6.92e-58 GB AAF31702 "Smt3 [Drosophila melanogaster]" 97.78 90 100.00 100.00 6.92e-58 GB AAF52470 "smt3, isoform A [Drosophila melanogaster]" 97.78 90 100.00 100.00 6.92e-58 GB AAL28638 "LD07775p [Drosophila melanogaster]" 97.78 90 100.00 100.00 6.92e-58 GB ALC38481 "smt3 [Drosophila busckii]" 98.89 135 98.88 100.00 4.18e-58 REF NP_001303312 "smt3, isoform B [Drosophila melanogaster]" 97.78 90 100.00 100.00 6.92e-58 REF NP_477411 "smt3, isoform A [Drosophila melanogaster]" 97.78 90 100.00 100.00 6.92e-58 REF XP_001355784 "GA18220 [Drosophila pseudoobscura pseudoobscura]" 97.78 90 100.00 100.00 8.23e-58 REF XP_001650444 "AAEL015064-PA [Aedes aegypti]" 55.56 54 98.00 100.00 9.91e-28 REF XP_001962391 "GF14461 [Drosophila ananassae]" 97.78 91 100.00 100.00 5.42e-58 stop_ save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species $dSUMO 'fruit fly' 7227 Eukaryota Metazoa Drosophila melanogaster 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 $dSUMO 'recombinant technology' . Escherichia coli . pGEX4T1 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 $dSUMO 1 mM '[U-99% 13C; U-99% 15N]' stop_ save_ ############################ # Computer software used # ############################ save_Felix _Saveframe_category software _Name FELIX _Version 2002 loop_ _Vendor _Address _Electronic_address 'Accelrys Software Inc.' . . stop_ loop_ _Task processing stop_ _Details . save_ save_CARA _Saveframe_category software _Name CARA _Version . loop_ _Vendor _Address _Electronic_address 'Keller and Wuthrich' . . stop_ loop_ _Task 'data analysis' 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_2D_1H-15N_HSQC_1 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N HSQC' _Sample_label $sample_1 save_ save_3D_HNN_2 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNN' _Sample_label $sample_1 save_ save_3D_HN(C)N_3 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HN(C)N' _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_HNCO_6 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCO' _Sample_label $sample_1 save_ save_3D_HN(CA)CO_7 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HN(CA)CO' _Sample_label $sample_1 save_ save_3D_1H-15N_TOCSY_8 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-15N TOCSY' _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 5.7 . pH pressure 1 . atm temperature 300 . 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_ _Software_label $CARA stop_ loop_ _Experiment_label '2D 1H-15N HSQC' '3D HNN' '3D HN(C)N' '3D CBCA(CO)NH' '3D HNCACB' '3D HNCO' '3D HN(CA)CO' '3D 1H-15N TOCSY' 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 dSUMO _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 8.31 0.02 1 2 1 1 GLY C C 175.5 0.3 1 3 1 1 GLY CA C 45.8 0.3 1 4 1 1 GLY N N 107.9 0.3 1 5 2 2 SER H H 8.18 0.02 1 6 2 2 SER HA H 4.36 0.02 1 7 2 2 SER HB2 H 3.82 0.02 1 8 2 2 SER C C 175.6 0.3 1 9 2 2 SER CA C 57.8 0.3 1 10 2 2 SER CB C 63.7 0.3 1 11 2 2 SER N N 115.7 0.3 1 12 3 3 MET H H 8.29 0.02 1 13 3 3 MET HA H 4.54 0.02 1 14 3 3 MET HB2 H 2.11 0.02 2 15 3 3 MET HB3 H 1.96 0.02 2 16 3 3 MET HG2 H 2.31 0.02 1 17 3 3 MET C C 175.9 0.3 1 18 3 3 MET CA C 55.2 0.3 1 19 3 3 MET CB C 33.2 0.3 1 20 3 3 MET N N 122.6 0.3 1 21 4 4 SER H H 8.28 0.02 1 22 4 4 SER HA H 4.46 0.02 1 23 4 4 SER HB2 H 3.90 0.02 1 24 4 4 SER C C 174.3 0.3 1 25 4 4 SER CA C 58.2 0.3 1 26 4 4 SER CB C 64.2 0.3 1 27 4 4 SER N N 116.9 0.3 1 28 5 5 ASP H H 8.47 0.02 1 29 5 5 ASP HA H 4.68 0.02 1 30 5 5 ASP HB2 H 2.71 0.02 1 31 5 5 ASP C C 176.2 0.3 1 32 5 5 ASP CA C 54.8 0.3 1 33 5 5 ASP CB C 41.4 0.3 1 34 5 5 ASP N N 122.5 0.3 1 35 6 6 GLU H H 8.35 0.02 1 36 6 6 GLU HA H 4.28 0.02 1 37 6 6 GLU HB2 H 2.05 0.02 2 38 6 6 GLU HB3 H 1.87 0.02 2 39 6 6 GLU HG2 H 2.31 0.02 1 40 6 6 GLU C C 176.6 0.3 1 41 6 6 GLU CA C 56.9 0.3 1 42 6 6 GLU CB C 30.3 0.3 1 43 6 6 GLU N N 121.2 0.3 1 44 7 7 LYS H H 8.37 0.02 1 45 7 7 LYS HA H 4.35 0.02 1 46 7 7 LYS HB3 H 1.76 0.02 1 47 7 7 LYS HG2 H 1.45 0.02 1 48 7 7 LYS C C 176.6 0.3 1 49 7 7 LYS CA C 56.4 0.3 1 50 7 7 LYS CB C 32.5 0.3 1 51 7 7 LYS N N 122.2 0.3 1 52 8 8 LYS H H 8.35 0.02 1 53 8 8 LYS HA H 4.37 0.02 1 54 8 8 LYS HB2 H 1.91 0.02 2 55 8 8 LYS HB3 H 1.78 0.02 2 56 8 8 LYS HG2 H 1.42 0.02 1 57 8 8 LYS C C 177.2 0.3 1 58 8 8 LYS CA C 56.3 0.3 1 59 8 8 LYS CB C 33.2 0.3 1 60 8 8 LYS N N 122.7 0.3 1 61 9 9 GLY H H 8.48 0.02 1 62 9 9 GLY HA2 H 4.05 0.02 1 63 9 9 GLY C C 174.5 0.3 1 64 9 9 GLY CA C 45.3 0.3 1 65 9 9 GLY N N 110.0 0.3 1 66 10 10 GLY H H 8.30 0.02 1 67 10 10 GLY HA2 H 4.04 0.02 1 68 10 10 GLY C C 176.8 0.3 1 69 10 10 GLY CA C 45.3 0.3 1 70 10 10 GLY N N 108.5 0.3 1 71 11 11 GLU H H 8.47 0.02 1 72 11 11 GLU HA H 4.21 0.02 1 73 11 11 GLU HB2 H 1.94 0.02 2 74 11 11 GLU HB3 H 1.86 0.02 2 75 11 11 GLU HG2 H 2.18 0.02 1 76 11 11 GLU C C 176.9 0.3 1 77 11 11 GLU CA C 56.8 0.3 1 78 11 11 GLU CB C 30.4 0.3 1 79 11 11 GLU N N 120.6 0.3 1 80 12 12 THR H H 8.22 0.02 1 81 12 12 THR HA H 4.36 0.02 1 82 12 12 THR HB H 4.21 0.02 1 83 12 12 THR HG2 H 1.21 0.02 1 84 12 12 THR C C 174.5 0.3 1 85 12 12 THR CA C 63.0 0.3 1 86 12 12 THR CB C 69.8 0.3 1 87 12 12 THR N N 114.4 0.3 1 88 13 13 GLU H H 8.35 0.02 1 89 13 13 GLU HA H 4.30 0.02 1 90 13 13 GLU HB2 H 1.94 0.02 2 91 13 13 GLU HB3 H 1.78 0.02 2 92 13 13 GLU HG2 H 2.21 0.02 1 93 13 13 GLU C C 175.8 0.3 1 94 13 13 GLU CA C 57.9 0.3 1 95 13 13 GLU CB C 30.4 0.3 1 96 13 13 GLU N N 122.8 0.3 1 97 14 14 HIS H H 8.12 0.02 1 98 14 14 HIS HA H 4.66 0.02 1 99 14 14 HIS HB2 H 3.15 0.02 2 100 14 14 HIS HB3 H 3.04 0.02 2 101 14 14 HIS C C 176.1 0.3 1 102 14 14 HIS CA C 55.7 0.3 1 103 14 14 HIS CB C 29.9 0.3 1 104 14 14 HIS N N 120.2 0.3 1 105 15 15 ILE H H 8.15 0.02 1 106 15 15 ILE HA H 4.23 0.02 1 107 15 15 ILE HB H 1.77 0.02 1 108 15 15 ILE HD1 H 0.83 0.02 1 109 15 15 ILE HG12 H 1.41 0.02 2 110 15 15 ILE HG13 H 1.15 0.02 2 111 15 15 ILE HG2 H 0.89 0.02 1 112 15 15 ILE C C 175.5 0.3 1 113 15 15 ILE CA C 61.2 0.3 1 114 15 15 ILE CB C 38.9 0.3 1 115 15 15 ILE N N 122.4 0.3 1 116 16 16 ASN H H 8.61 0.02 1 117 16 16 ASN HA H 4.79 0.02 1 118 16 16 ASN HB2 H 2.85 0.02 2 119 16 16 ASN HB3 H 2.72 0.02 2 120 16 16 ASN C C 174.9 0.3 1 121 16 16 ASN CA C 53.1 0.3 1 122 16 16 ASN CB C 39.0 0.3 1 123 16 16 ASN N N 123.1 0.3 1 124 17 17 LEU H H 8.28 0.02 1 125 17 17 LEU HA H 4.35 0.02 1 126 17 17 LEU HB2 H 1.59 0.02 1 127 17 17 LEU C C 176.6 0.3 1 128 17 17 LEU CA C 55.5 0.3 1 129 17 17 LEU CB C 42.6 0.3 1 130 17 17 LEU N N 123.5 0.3 1 131 18 18 LYS H H 8.35 0.02 1 132 18 18 LYS HA H 4.35 0.02 1 133 18 18 LYS HB3 H 1.79 0.02 1 134 18 18 LYS HG2 H 1.43 0.02 1 135 18 18 LYS C C 176.3 0.3 1 136 18 18 LYS CA C 56.4 0.3 1 137 18 18 LYS CB C 33.0 0.3 1 138 18 18 LYS N N 122.2 0.3 1 139 19 19 VAL H H 8.09 0.02 1 140 19 19 VAL HA H 4.12 0.02 1 141 19 19 VAL HB H 2.03 0.02 1 142 19 19 VAL HG2 H 0.94 0.02 1 143 19 19 VAL C C 176.0 0.3 1 144 19 19 VAL CA C 62.4 0.3 1 145 19 19 VAL CB C 32.8 0.3 1 146 19 19 VAL N N 121.3 0.3 1 147 20 20 LEU H H 8.31 0.02 1 148 20 20 LEU HA H 4.42 0.02 1 149 20 20 LEU HB2 H 1.64 0.02 1 150 20 20 LEU C C 177.7 0.3 1 151 20 20 LEU CA C 55.1 0.3 1 152 20 20 LEU CB C 42.5 0.3 1 153 20 20 LEU N N 125.9 0.3 1 154 21 21 GLY H H 8.40 0.02 1 155 21 21 GLY HA2 H 4.02 0.02 1 156 21 21 GLY C C 174.1 0.3 1 157 21 21 GLY CA C 45.3 0.3 1 158 21 21 GLY N N 109.5 0.3 1 159 22 22 GLN H H 8.23 0.02 1 160 22 22 GLN HA H 4.41 0.02 1 161 22 22 GLN HB2 H 2.13 0.02 2 162 22 22 GLN HB3 H 1.98 0.02 2 163 22 22 GLN HG2 H 2.35 0.02 1 164 22 22 GLN C C 175.6 0.3 1 165 22 22 GLN CA C 55.8 0.3 1 166 22 22 GLN CB C 29.8 0.3 1 167 22 22 GLN N N 119.5 0.3 1 168 23 23 ASP H H 8.46 0.02 1 169 23 23 ASP HA H 4.64 0.02 1 170 23 23 ASP HB2 H 2.74 0.02 2 171 23 23 ASP HB3 H 2.61 0.02 2 172 23 23 ASP C C 176.1 0.3 1 173 23 23 ASP CA C 54.5 0.3 1 174 23 23 ASP CB C 41.3 0.3 1 175 23 23 ASP N N 121.3 0.3 1 176 24 24 ASN H H 8.36 0.02 1 177 24 24 ASN HA H 4.72 0.02 1 178 24 24 ASN HB2 H 2.80 0.02 1 179 24 24 ASN C C 174.9 0.3 1 180 24 24 ASN CA C 53.2 0.3 1 181 24 24 ASN CB C 39.0 0.3 1 182 24 24 ASN N N 119.1 0.3 1 183 25 25 ALA H H 8.20 0.02 1 184 25 25 ALA HA H 4.34 0.02 1 185 25 25 ALA HB H 1.40 0.02 1 186 25 25 ALA C C 177.6 0.3 1 187 25 25 ALA CA C 52.7 0.3 1 188 25 25 ALA CB C 19.2 0.3 1 189 25 25 ALA N N 123.6 0.3 1 190 26 26 VAL H H 8.01 0.02 1 191 26 26 VAL HA H 4.10 0.02 1 192 26 26 VAL HB H 2.06 0.02 1 193 26 26 VAL HG2 H 0.94 0.02 1 194 26 26 VAL C C 176.3 0.3 1 195 26 26 VAL CA C 62.3 0.3 1 196 26 26 VAL CB C 32.9 0.3 1 197 26 26 VAL N N 119.0 0.3 1 198 27 27 VAL H H 8.10 0.02 1 199 27 27 VAL HA H 4.08 0.02 1 200 27 27 VAL HB H 1.96 0.02 1 201 27 27 VAL HG1 H 0.90 0.02 1 202 27 27 VAL HG2 H 0.84 0.02 1 203 27 27 VAL C C 176.0 0.3 1 204 27 27 VAL CA C 62.3 0.3 1 205 27 27 VAL CB C 32.9 0.3 1 206 27 27 VAL N N 123.8 0.3 1 207 28 28 GLN H H 8.33 0.02 1 208 28 28 GLN HA H 4.34 0.02 1 209 28 28 GLN HB3 H 1.90 0.02 1 210 28 28 GLN HG2 H 2.26 0.02 1 211 28 28 GLN C C 175.5 0.3 1 212 28 28 GLN CA C 55.7 0.3 1 213 28 28 GLN CB C 29.6 0.3 1 214 28 28 GLN N N 123.7 0.3 1 215 29 29 PHE H H 8.22 0.02 1 216 29 29 PHE HA H 4.65 0.02 1 217 29 29 PHE HB2 H 3.14 0.02 2 218 29 29 PHE HB3 H 2.99 0.02 2 219 29 29 PHE C C 175.3 0.3 1 220 29 29 PHE CA C 57.5 0.3 1 221 29 29 PHE CB C 39.9 0.3 1 222 29 29 PHE N N 121.5 0.3 1 223 30 30 LYS H H 8.29 0.02 1 224 30 30 LYS HA H 4.36 0.02 1 225 30 30 LYS HB3 H 1.68 0.02 1 226 30 30 LYS HG2 H 1.34 0.02 1 227 30 30 LYS C C 176.0 0.3 1 228 30 30 LYS CA C 56.2 0.3 1 229 30 30 LYS CB C 33.5 0.3 1 230 30 30 LYS N N 123.0 0.3 1 231 31 31 ILE H H 8.19 0.02 1 232 31 31 ILE HA H 4.20 0.02 1 233 31 31 ILE HB H 1.81 0.02 1 234 31 31 ILE HD1 H 0.86 0.02 1 235 31 31 ILE HG12 H 1.42 0.02 2 236 31 31 ILE HG13 H 1.16 0.02 2 237 31 31 ILE HG2 H 0.89 0.02 1 238 31 31 ILE C C 176.0 0.3 1 239 31 31 ILE CA C 61.0 0.3 1 240 31 31 ILE CB C 38.9 0.3 1 241 31 31 ILE N N 122.3 0.3 1 242 32 32 LYS H H 8.46 0.02 1 243 32 32 LYS HA H 4.36 0.02 1 244 32 32 LYS HB3 H 1.74 0.02 1 245 32 32 LYS HG2 H 1.42 0.02 2 246 32 32 LYS HG3 H 1.25 0.02 2 247 32 32 LYS C C 176.2 0.3 1 248 32 32 LYS CA C 56.1 0.3 1 249 32 32 LYS CB C 32.9 0.3 1 250 32 32 LYS N N 126.4 0.3 1 251 33 33 LYS H H 8.40 0.02 1 252 33 33 LYS HA H 4.34 0.02 1 253 33 33 LYS HB3 H 1.76 0.02 1 254 33 33 LYS HG2 H 1.46 0.02 1 255 33 33 LYS C C 176.6 0.3 1 256 33 33 LYS CA C 55.9 0.3 1 257 33 33 LYS CB C 32.4 0.3 1 258 33 33 LYS N N 123.4 0.3 1 259 34 34 HIS H H 8.22 0.02 1 260 34 34 HIS HA H 4.65 0.02 1 261 34 34 HIS C C 175.0 0.3 1 262 34 34 HIS CA C 55.6 0.3 1 263 34 34 HIS CB C 30.9 0.3 1 264 34 34 HIS N N 121.2 0.3 1 265 35 35 THR H H 8.32 0.02 1 266 35 35 THR HA H 4.28 0.02 1 267 35 35 THR HB H 3.96 0.02 1 268 35 35 THR HG2 H 1.93 0.02 1 269 35 35 THR C C 174.8 0.3 1 270 35 35 THR CA C 60.4 0.3 1 271 35 35 THR CB C 69.9 0.3 1 272 35 35 THR N N 119.1 0.3 1 273 36 36 PRO HA H 4.41 0.02 1 274 36 36 PRO C C 176.6 0.3 1 275 36 36 PRO CA C 63.0 0.3 1 276 36 36 PRO CB C 32.4 0.3 1 277 36 36 PRO N N 120.3 0.3 1 278 37 37 LEU H H 8.35 0.02 1 279 37 37 LEU HA H 4.33 0.02 1 280 37 37 LEU HB2 H 1.59 0.02 1 281 37 37 LEU HD2 H 0.87 0.02 1 282 37 37 LEU C C 176.1 0.3 1 283 37 37 LEU CA C 55.4 0.3 1 284 37 37 LEU CB C 42.6 0.3 1 285 37 37 LEU N N 123.0 0.3 1 286 38 38 ARG H H 8.44 0.02 1 287 38 38 ARG HA H 4.37 0.02 1 288 38 38 ARG HB2 H 1.79 0.02 2 289 38 38 ARG HB3 H 1.71 0.02 2 290 38 38 ARG HG2 H 1.59 0.02 2 291 38 38 ARG HG3 H 1.51 0.02 2 292 38 38 ARG C C 176.1 0.3 1 293 38 38 ARG CA C 56.0 0.3 1 294 38 38 ARG CB C 31.0 0.3 1 295 38 38 ARG N N 122.5 0.3 1 296 39 39 LYS H H 8.41 0.02 1 297 39 39 LYS HA H 4.35 0.02 1 298 39 39 LYS HB3 H 1.74 0.02 1 299 39 39 LYS HG2 H 1.40 0.02 1 300 39 39 LYS C C 176.2 0.3 1 301 39 39 LYS CA C 56.2 0.3 1 302 39 39 LYS CB C 33.2 0.3 1 303 39 39 LYS N N 123.1 0.3 1 304 40 40 LEU H H 8.36 0.02 1 305 40 40 LEU HA H 4.35 0.02 1 306 40 40 LEU HB2 H 1.61 0.02 1 307 40 40 LEU HD2 H 0.87 0.02 1 308 40 40 LEU C C 175.7 0.3 1 309 40 40 LEU CA C 55.8 0.3 1 310 40 40 LEU CB C 42.5 0.3 1 311 40 40 LEU N N 124.1 0.3 1 312 41 41 MET H H 8.47 0.02 1 313 41 41 MET HA H 4.52 0.02 1 314 41 41 MET HB2 H 2.01 0.02 1 315 41 41 MET HG2 H 2.74 0.02 2 316 41 41 MET HG3 H 2.64 0.02 2 317 41 41 MET C C 175.8 0.3 1 318 41 41 MET CA C 55.7 0.3 1 319 41 41 MET CB C 32.9 0.3 1 320 41 41 MET N N 121.2 0.3 1 321 42 42 ASN H H 8.45 0.02 1 322 42 42 ASN HA H 4.71 0.02 1 323 42 42 ASN HB2 H 2.77 0.02 1 324 42 42 ASN C C 175.8 0.3 1 325 42 42 ASN CA C 53.2 0.3 1 326 42 42 ASN CB C 39.1 0.3 1 327 42 42 ASN N N 119.8 0.3 1 328 43 43 ALA H H 8.27 0.02 1 329 43 43 ALA HA H 4.32 0.02 1 330 43 43 ALA HB H 1.31 0.02 1 331 43 43 ALA C C 177.2 0.3 1 332 43 43 ALA CA C 52.6 0.3 1 333 43 43 ALA CB C 19.4 0.3 1 334 43 43 ALA N N 124.0 0.3 1 335 44 44 TYR H H 8.18 0.02 1 336 44 44 TYR HA H 4.54 0.02 1 337 44 44 TYR HB3 H 3.01 0.02 1 338 44 44 TYR C C 175.9 0.3 1 339 44 44 TYR CA C 58.4 0.3 1 340 44 44 TYR CB C 38.8 0.3 1 341 44 44 TYR N N 118.9 0.3 1 342 45 45 CYS H H 8.20 0.02 1 343 45 45 CYS HA H 4.52 0.02 1 344 45 45 CYS HB2 H 3.30 0.02 2 345 45 45 CYS HB3 H 3.16 0.02 2 346 45 45 CYS C C 175.6 0.3 1 347 45 45 CYS CA C 56.7 0.3 1 348 45 45 CYS CB C 33.4 0.3 1 349 45 45 CYS N N 119.4 0.3 1 350 46 46 ASP H H 8.30 0.02 1 351 46 46 ASP HA H 4.64 0.02 1 352 46 46 ASP HB2 H 2.71 0.02 1 353 46 46 ASP C C 176.2 0.3 1 354 46 46 ASP CA C 54.4 0.3 1 355 46 46 ASP CB C 41.3 0.3 1 356 46 46 ASP N N 122.4 0.3 1 357 47 47 ARG H H 8.19 0.02 1 358 47 47 ARG HA H 4.34 0.02 1 359 47 47 ARG HB2 H 1.92 0.02 2 360 47 47 ARG HB3 H 1.76 0.02 2 361 47 47 ARG HG2 H 1.66 0.02 1 362 47 47 ARG C C 176.2 0.3 1 363 47 47 ARG CA C 56.3 0.3 1 364 47 47 ARG CB C 30.7 0.3 1 365 47 47 ARG N N 121.0 0.3 1 366 48 48 ALA H H 8.28 0.02 1 367 48 48 ALA HA H 4.36 0.02 1 368 48 48 ALA HB H 1.30 0.02 1 369 48 48 ALA C C 178.3 0.3 1 370 48 48 ALA CA C 52.8 0.3 1 371 48 48 ALA CB C 19.2 0.3 1 372 48 48 ALA N N 124.0 0.3 1 373 49 49 GLY H H 8.27 0.02 1 374 49 49 GLY HA2 H 3.99 0.02 1 375 49 49 GLY C C 174.3 0.3 1 376 49 49 GLY CA C 45.6 0.3 1 377 49 49 GLY N N 107.6 0.3 1 378 50 50 LEU H H 8.05 0.02 1 379 50 50 LEU HA H 4.42 0.02 1 380 50 50 LEU HB2 H 1.63 0.02 1 381 50 50 LEU C C 177.7 0.3 1 382 50 50 LEU CA C 55.1 0.3 1 383 50 50 LEU CB C 42.7 0.3 1 384 50 50 LEU N N 121.3 0.3 1 385 51 51 SER H H 8.37 0.02 1 386 51 51 SER HA H 4.50 0.02 1 387 51 51 SER HB2 H 3.90 0.02 1 388 51 51 SER C C 174.8 0.3 1 389 51 51 SER CA C 58.4 0.3 1 390 51 51 SER CB C 63.9 0.3 1 391 51 51 SER N N 116.2 0.3 1 392 52 52 MET H H 8.37 0.02 1 393 52 52 MET HA H 4.54 0.02 1 394 52 52 MET HB2 H 2.11 0.02 2 395 52 52 MET HB3 H 1.99 0.02 2 396 52 52 MET HG2 H 2.38 0.02 1 397 52 52 MET C C 175.7 0.3 1 398 52 52 MET CA C 56.7 0.3 1 399 52 52 MET CB C 33.1 0.3 1 400 52 52 MET N N 121.9 0.3 1 401 53 53 GLN H H 8.30 0.02 1 402 53 53 GLN HA H 4.34 0.02 1 403 53 53 GLN HB2 H 2.06 0.02 2 404 53 53 GLN HB3 H 1.95 0.02 2 405 53 53 GLN HG2 H 2.31 0.02 1 406 53 53 GLN C C 175.9 0.3 1 407 53 53 GLN CA C 56.0 0.3 1 408 53 53 GLN CB C 29.7 0.3 1 409 53 53 GLN N N 122.2 0.3 1 410 54 54 VAL H H 8.17 0.02 1 411 54 54 VAL HA H 4.15 0.02 1 412 54 54 VAL HB H 2.03 0.02 1 413 54 54 VAL HG1 H 0.91 0.02 1 414 54 54 VAL HG2 H 0.83 0.02 1 415 54 54 VAL C C 175.8 0.3 1 416 54 54 VAL CA C 62.6 0.3 1 417 54 54 VAL CB C 32.9 0.3 1 418 54 54 VAL N N 121.7 0.3 1 419 55 55 VAL H H 8.21 0.02 1 420 55 55 VAL HA H 4.15 0.02 1 421 55 55 VAL HB H 1.93 0.02 1 422 55 55 VAL HG1 H 0.90 0.02 1 423 55 55 VAL HG2 H 0.80 0.02 1 424 55 55 VAL C C 175.7 0.3 1 425 55 55 VAL CA C 62.1 0.3 1 426 55 55 VAL CB C 32.9 0.3 1 427 55 55 VAL N N 124.5 0.3 1 428 56 56 ARG H H 8.34 0.02 1 429 56 56 ARG HA H 4.37 0.02 1 430 56 56 ARG HB2 H 1.66 0.02 2 431 56 56 ARG HB3 H 1.49 0.02 2 432 56 56 ARG C C 175.5 0.3 1 433 56 56 ARG CA C 55.9 0.3 1 434 56 56 ARG CB C 31.5 0.3 1 435 56 56 ARG N N 124.8 0.3 1 436 57 57 PHE H H 8.29 0.02 1 437 57 57 PHE HA H 4.68 0.02 1 438 57 57 PHE HB3 H 2.92 0.02 1 439 57 57 PHE C C 175.4 0.3 1 440 57 57 PHE CA C 57.5 0.3 1 441 57 57 PHE CB C 40.1 0.3 1 442 57 57 PHE N N 121.1 0.3 1 443 58 58 ARG H H 8.38 0.02 1 444 58 58 ARG HA H 4.36 0.02 1 445 58 58 ARG HB2 H 2.00 0.02 2 446 58 58 ARG HB3 H 1.72 0.02 2 447 58 58 ARG HG2 H 1.48 0.02 1 448 58 58 ARG C C 176.2 0.3 1 449 58 58 ARG CA C 55.9 0.3 1 450 58 58 ARG CB C 31.6 0.3 1 451 58 58 ARG N N 122.3 0.3 1 452 59 59 PHE H H 8.41 0.02 1 453 59 59 PHE HA H 4.63 0.02 1 454 59 59 PHE HB2 H 3.19 0.02 2 455 59 59 PHE HB3 H 3.03 0.02 2 456 59 59 PHE C C 175.5 0.3 1 457 59 59 PHE CA C 58.1 0.3 1 458 59 59 PHE CB C 39.5 0.3 1 459 59 59 PHE N N 121.7 0.3 1 460 60 60 ASP H H 8.21 0.02 1 461 60 60 ASP HA H 4.70 0.02 1 462 60 60 ASP HB2 H 2.64 0.02 1 463 60 60 ASP C C 176.5 0.3 1 464 60 60 ASP CA C 53.9 0.3 1 465 60 60 ASP CB C 41.1 0.3 1 466 60 60 ASP N N 121.1 0.3 1 467 61 61 GLY H H 7.89 0.02 1 468 61 61 GLY HA2 H 3.97 0.02 2 469 61 61 GLY HA3 H 3.84 0.02 2 470 61 61 GLY C C 173.8 0.3 1 471 61 61 GLY CA C 45.3 0.3 1 472 61 61 GLY N N 108.1 0.3 1 473 62 62 GLN H H 8.06 0.02 1 474 62 62 GLN HA H 4.64 0.02 1 475 62 62 GLN HB3 H 1.91 0.02 1 476 62 62 GLN HG2 H 2.35 0.02 1 477 62 62 GLN C C 175.6 0.3 1 478 62 62 GLN CA C 53.7 0.3 1 479 62 62 GLN CB C 29.1 0.3 1 480 62 62 GLN N N 120.4 0.3 1 481 63 63 PRO HA H 4.47 0.02 1 482 63 63 PRO C C 176.6 0.3 1 483 63 63 PRO CA C 63.3 0.3 1 484 63 63 PRO CB C 31.9 0.3 1 485 63 63 PRO N N 123.3 0.3 1 486 64 64 ILE H H 8.24 0.02 1 487 64 64 ILE HA H 4.15 0.02 1 488 64 64 ILE HB H 1.80 0.02 1 489 64 64 ILE HG12 H 1.46 0.02 2 490 64 64 ILE HG13 H 1.14 0.02 2 491 64 64 ILE HG2 H 0.88 0.02 1 492 64 64 ILE C C 175.9 0.3 1 493 64 64 ILE CA C 61.3 0.3 1 494 64 64 ILE CB C 39.3 0.3 1 495 64 64 ILE N N 120.8 0.3 1 496 65 65 ASN H H 8.55 0.02 1 497 65 65 ASN HA H 4.80 0.02 1 498 65 65 ASN HB2 H 2.88 0.02 2 499 65 65 ASN HB3 H 2.76 0.02 2 500 65 65 ASN C C 175.3 0.3 1 501 65 65 ASN CA C 52.9 0.3 1 502 65 65 ASN CB C 39.2 0.3 1 503 65 65 ASN N N 122.7 0.3 1 504 66 66 GLU H H 8.62 0.02 1 505 66 66 GLU HA H 4.30 0.02 1 506 66 66 GLU HB2 H 2.10 0.02 2 507 66 66 GLU HB3 H 1.92 0.02 2 508 66 66 GLU HG2 H 2.27 0.02 1 509 66 66 GLU C C 176.2 0.3 1 510 66 66 GLU CA C 57.0 0.3 1 511 66 66 GLU CB C 30.4 0.3 1 512 66 66 GLU N N 122.2 0.3 1 513 67 67 ASN H H 8.44 0.02 1 514 67 67 ASN HA H 4.77 0.02 1 515 67 67 ASN HB2 H 2.88 0.02 2 516 67 67 ASN HB3 H 2.76 0.02 2 517 67 67 ASN C C 175.0 0.3 1 518 67 67 ASN CA C 53.4 0.3 1 519 67 67 ASN CB C 39.2 0.3 1 520 67 67 ASN N N 118.3 0.3 1 521 68 68 ASP H H 8.21 0.02 1 522 68 68 ASP HA H 4.71 0.02 1 523 68 68 ASP HB2 H 2.69 0.02 1 524 68 68 ASP C C 175.9 0.3 1 525 68 68 ASP CA C 54.2 0.3 1 526 68 68 ASP CB C 41.4 0.3 1 527 68 68 ASP N N 120.5 0.3 1 528 69 69 THR H H 8.08 0.02 1 529 69 69 THR HA H 4.63 0.02 1 530 69 69 THR HB H 4.16 0.02 1 531 69 69 THR HG2 H 1.26 0.02 1 532 69 69 THR C C 172.9 0.3 1 533 69 69 THR CA C 59.7 0.3 1 534 69 69 THR CB C 69.8 0.3 1 535 69 69 THR N N 116.0 0.3 1 536 70 70 PRO HA H 4.53 0.02 1 537 70 70 PRO HB2 H 2.05 0.02 2 538 70 70 PRO HB3 H 1.97 0.02 2 539 70 70 PRO HD2 H 3.83 0.02 2 540 70 70 PRO HD3 H 3.73 0.02 2 541 70 70 PRO HG2 H 1.95 0.02 2 542 70 70 PRO HG3 H 1.79 0.02 2 543 70 70 PRO C C 177.2 0.3 1 544 70 70 PRO CA C 63.3 0.3 1 545 70 70 PRO CB C 70.0 0.3 1 546 70 70 PRO N N 120.3 0.3 1 547 71 71 THR H H 8.29 0.02 1 548 71 71 THR HA H 4.40 0.02 1 549 71 71 THR HB H 4.24 0.02 1 550 71 71 THR HG2 H 1.27 0.02 1 551 71 71 THR C C 174.7 0.3 1 552 71 71 THR CA C 61.9 0.3 1 553 71 71 THR CB C 70.0 0.3 1 554 71 71 THR N N 114.3 0.3 1 555 72 72 SER H H 8.31 0.02 1 556 72 72 SER HA H 4.54 0.02 1 557 72 72 SER HB2 H 3.90 0.02 1 558 72 72 SER C C 174.5 0.3 1 559 72 72 SER CA C 58.1 0.3 1 560 72 72 SER CB C 64.0 0.3 1 561 72 72 SER N N 117.7 0.3 1 562 73 73 LEU H H 8.31 0.02 1 563 73 73 LEU HA H 4.40 0.02 1 564 73 73 LEU HB2 H 1.62 0.02 1 565 73 73 LEU HG H 1.42 0.02 1 566 73 73 LEU C C 177.3 0.3 1 567 73 73 LEU CA C 55.3 0.3 1 568 73 73 LEU CB C 42.5 0.3 1 569 73 73 LEU N N 124.1 0.3 1 570 74 74 GLU H H 8.39 0.02 1 571 74 74 GLU HA H 4.31 0.02 1 572 74 74 GLU HB2 H 2.05 0.02 2 573 74 74 GLU HB3 H 1.96 0.02 2 574 74 74 GLU HG2 H 2.30 0.02 1 575 74 74 GLU C C 176.4 0.3 1 576 74 74 GLU CA C 56.6 0.3 1 577 74 74 GLU CB C 30.3 0.3 1 578 74 74 GLU N N 121.1 0.3 1 579 75 75 MET H H 8.31 0.02 1 580 75 75 MET HA H 4.52 0.02 1 581 75 75 MET HB2 H 2.10 0.02 2 582 75 75 MET HB3 H 2.02 0.02 2 583 75 75 MET HG2 H 2.57 0.02 1 584 75 75 MET C C 176.1 0.3 1 585 75 75 MET CA C 55.5 0.3 1 586 75 75 MET CB C 33.2 0.3 1 587 75 75 MET N N 120.8 0.3 1 588 76 76 GLU H H 8.47 0.02 1 589 76 76 GLU HA H 4.37 0.02 1 590 76 76 GLU HB2 H 2.09 0.02 2 591 76 76 GLU HB3 H 1.97 0.02 2 592 76 76 GLU HG2 H 2.31 0.02 1 593 76 76 GLU C C 176.5 0.3 1 594 76 76 GLU CA C 56.6 0.3 1 595 76 76 GLU CB C 30.5 0.3 1 596 76 76 GLU N N 122.1 0.3 1 597 77 77 GLU H H 8.50 0.02 1 598 77 77 GLU HA H 4.35 0.02 1 599 77 77 GLU HB2 H 2.06 0.02 2 600 77 77 GLU HB3 H 1.95 0.02 2 601 77 77 GLU HG2 H 2.32 0.02 1 602 77 77 GLU C C 176.9 0.3 1 603 77 77 GLU CA C 56.7 0.3 1 604 77 77 GLU CB C 30.6 0.3 1 605 77 77 GLU N N 121.8 0.3 1 606 78 78 GLY H H 8.37 0.02 1 607 78 78 GLY HA2 H 4.03 0.02 1 608 78 78 GLY C C 173.7 0.3 1 609 78 78 GLY CA C 45.2 0.3 1 610 78 78 GLY N N 109.4 0.3 1 611 79 79 ASP H H 8.29 0.02 1 612 79 79 ASP HA H 4.75 0.02 1 613 79 79 ASP HB2 H 2.71 0.02 1 614 79 79 ASP C C 176.5 0.3 1 615 79 79 ASP CA C 54.3 0.3 1 616 79 79 ASP CB C 41.6 0.3 1 617 79 79 ASP N N 120.2 0.3 1 618 80 80 THR H H 8.19 0.02 1 619 80 80 THR HA H 4.42 0.02 1 620 80 80 THR HB H 4.22 0.02 1 621 80 80 THR HG2 H 1.21 0.02 1 622 80 80 THR C C 174.4 0.3 1 623 80 80 THR CA C 61.7 0.3 1 624 80 80 THR CB C 69.9 0.3 1 625 80 80 THR N N 114.2 0.3 1 626 81 81 ILE H H 8.16 0.02 1 627 81 81 ILE HA H 4.21 0.02 1 628 81 81 ILE HB H 1.85 0.02 1 629 81 81 ILE HD1 H 0.83 0.02 1 630 81 81 ILE HG13 H 1.45 0.02 1 631 81 81 ILE HG2 H 0.88 0.02 1 632 81 81 ILE C C 176.0 0.3 1 633 81 81 ILE CA C 61.3 0.3 1 634 81 81 ILE CB C 38.9 0.3 1 635 81 81 ILE N N 122.9 0.3 1 636 82 82 GLU H H 8.43 0.02 1 637 82 82 GLU HA H 4.33 0.02 1 638 82 82 GLU HB2 H 1.91 0.02 1 639 82 82 GLU HG2 H 2.25 0.02 1 640 82 82 GLU C C 176.2 0.3 1 641 82 82 GLU CA C 56.5 0.3 1 642 82 82 GLU CB C 30.4 0.3 1 643 82 82 GLU N N 124.8 0.3 1 644 83 83 VAL H H 8.10 0.02 1 645 83 83 VAL HA H 4.10 0.02 1 646 83 83 VAL HB H 2.00 0.02 1 647 83 83 VAL HG1 H 0.91 0.02 1 648 83 83 VAL HG2 H 0.83 0.02 1 649 83 83 VAL C C 175.8 0.3 1 650 83 83 VAL CA C 62.4 0.3 1 651 83 83 VAL CB C 33.0 0.3 1 652 83 83 VAL N N 121.1 0.3 1 653 84 84 TYR H H 8.26 0.02 1 654 84 84 TYR HA H 4.64 0.02 1 655 84 84 TYR HB2 H 3.04 0.02 2 656 84 84 TYR HB3 H 2.94 0.02 2 657 84 84 TYR C C 175.7 0.3 1 658 84 84 TYR CA C 57.6 0.3 1 659 84 84 TYR CB C 38.9 0.3 1 660 84 84 TYR N N 123.9 0.3 1 661 85 85 GLN H H 8.29 0.02 1 662 85 85 GLN HA H 4.34 0.02 1 663 85 85 GLN HB2 H 2.05 0.02 2 664 85 85 GLN HB3 H 1.93 0.02 2 665 85 85 GLN HG2 H 2.32 0.02 1 666 85 85 GLN C C 175.5 0.3 1 667 85 85 GLN CA C 55.7 0.3 1 668 85 85 GLN CB C 29.9 0.3 1 669 85 85 GLN N N 122.3 0.3 1 670 86 86 GLN H H 8.38 0.02 1 671 86 86 GLN HA H 4.32 0.02 1 672 86 86 GLN HB2 H 2.12 0.02 2 673 86 86 GLN HB3 H 2.00 0.02 2 674 86 86 GLN HG2 H 2.38 0.02 1 675 86 86 GLN C C 176.0 0.3 1 676 86 86 GLN CA C 56.2 0.3 1 677 86 86 GLN CB C 29.4 0.3 1 678 86 86 GLN N N 121.8 0.3 1 679 87 87 GLN H H 8.56 0.02 1 680 87 87 GLN HA H 4.48 0.02 1 681 87 87 GLN HB2 H 2.15 0.02 2 682 87 87 GLN HB3 H 2.03 0.02 2 683 87 87 GLN HG2 H 2.40 0.02 1 684 87 87 GLN C C 176.3 0.3 1 685 87 87 GLN CA C 55.8 0.3 1 686 87 87 GLN CB C 29.7 0.3 1 687 87 87 GLN N N 121.9 0.3 1 688 88 88 THR H H 8.29 0.02 1 689 88 88 THR HA H 4.46 0.02 1 690 88 88 THR HB H 4.27 0.02 1 691 88 88 THR HG2 H 1.22 0.02 1 692 88 88 THR C C 175.0 0.3 1 693 88 88 THR CA C 62.3 0.3 1 694 88 88 THR CB C 70.0 0.3 1 695 88 88 THR N N 114.9 0.3 1 696 89 89 GLY H H 8.42 0.02 1 697 89 89 GLY HA2 H 4.05 0.02 1 698 89 89 GLY C C 173.6 0.3 1 699 89 89 GLY CA C 45.4 0.3 1 700 89 89 GLY N N 111.2 0.3 1 701 90 90 GLY H H 7.98 0.02 1 702 90 90 GLY HA2 H 3.82 0.02 1 703 90 90 GLY C C 179.2 0.3 1 704 90 90 GLY CA C 45.4 0.3 1 705 90 90 GLY N N 115.0 0.3 1 stop_ save_