data_17745 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; NMR Assignment of PFV RNase H domain ; _BMRB_accession_number 17745 _BMRB_flat_file_name bmr17745.str _Entry_type original _Submission_date 2011-06-29 _Accession_date 2011-06-29 _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 Leo Berit . . 2 Schweimer Kristian . . 3 Woehrl Birgitta . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 838 "13C chemical shifts" 600 "15N chemical shifts" 142 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2012-03-27 original author . stop_ _Original_release_date 2012-03-27 save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title 'Insights into the structure and activity of prototype foamy virus RNase H.' _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 22325739 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Leo Berit . . 2 Hartl Maximilian J. . 3 Schweimer Kristian . . 4 Mayr Florian . . 5 Wohrl Birgitta M. . stop_ _Journal_abbreviation Retrovirology _Journal_name_full Retrovirology _Journal_volume 9 _Journal_issue . _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 14 _Page_last 14 _Year 2012 _Details . save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name 'PFV RNase H' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label 'PFV RNase H' $PFV_RNase_H 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_PFV_RNase_H _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common PFV_RNase_H _Molecular_mass . _Mol_thiol_state 'all free' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 165 _Mol_residue_sequence ; GAMGQYEGVFYTDGSAIKSP DPTKSNNAGMGIVHATYKPE YQVLNQWSIPLGNHTAQMAE IAAVEFACKKALKIPGPVLV ITDSFYVAESANKELPYWKS NGFVNNKKKPLKHISKWKSI AECLSMKPDITIQHEKGHQP TNTSIHTEGNALADKLATQG SYVVN ; loop_ _Residue_seq_code _Residue_label 1 GLY 2 ALA 3 MET 4 GLY 5 GLN 6 TYR 7 GLU 8 GLY 9 VAL 10 PHE 11 TYR 12 THR 13 ASP 14 GLY 15 SER 16 ALA 17 ILE 18 LYS 19 SER 20 PRO 21 ASP 22 PRO 23 THR 24 LYS 25 SER 26 ASN 27 ASN 28 ALA 29 GLY 30 MET 31 GLY 32 ILE 33 VAL 34 HIS 35 ALA 36 THR 37 TYR 38 LYS 39 PRO 40 GLU 41 TYR 42 GLN 43 VAL 44 LEU 45 ASN 46 GLN 47 TRP 48 SER 49 ILE 50 PRO 51 LEU 52 GLY 53 ASN 54 HIS 55 THR 56 ALA 57 GLN 58 MET 59 ALA 60 GLU 61 ILE 62 ALA 63 ALA 64 VAL 65 GLU 66 PHE 67 ALA 68 CYS 69 LYS 70 LYS 71 ALA 72 LEU 73 LYS 74 ILE 75 PRO 76 GLY 77 PRO 78 VAL 79 LEU 80 VAL 81 ILE 82 THR 83 ASP 84 SER 85 PHE 86 TYR 87 VAL 88 ALA 89 GLU 90 SER 91 ALA 92 ASN 93 LYS 94 GLU 95 LEU 96 PRO 97 TYR 98 TRP 99 LYS 100 SER 101 ASN 102 GLY 103 PHE 104 VAL 105 ASN 106 ASN 107 LYS 108 LYS 109 LYS 110 PRO 111 LEU 112 LYS 113 HIS 114 ILE 115 SER 116 LYS 117 TRP 118 LYS 119 SER 120 ILE 121 ALA 122 GLU 123 CYS 124 LEU 125 SER 126 MET 127 LYS 128 PRO 129 ASP 130 ILE 131 THR 132 ILE 133 GLN 134 HIS 135 GLU 136 LYS 137 GLY 138 HIS 139 GLN 140 PRO 141 THR 142 ASN 143 THR 144 SER 145 ILE 146 HIS 147 THR 148 GLU 149 GLY 150 ASN 151 ALA 152 LEU 153 ALA 154 ASP 155 LYS 156 LEU 157 ALA 158 THR 159 GLN 160 GLY 161 SER 162 TYR 163 VAL 164 VAL 165 ASN stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2015-03-16 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 2LSN "Solution Structure Of Pfv Rnase H Domain" 100.00 165 100.00 100.00 8.72e-118 GB ACD84902 "reverse transcriptase, partial [Simian foamy virus]" 97.58 239 98.14 99.38 2.04e-111 GB ACD84909 "reverse transcriptase, partial [Simian foamy virus]" 97.58 238 98.14 98.76 3.71e-111 stop_ save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species $PFV_RNase_H 'prototype foamy virus' . Viruses . 'foamy virus' 'prototype foamy virus' 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 $PFV_RNase_H 'recombinant technology' . Escherichia coli 'Rosetta DE3' pET-GB1 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 $PFV_RNase_H 1 mM '[U-13C; U-15N]' H2O 90 % 'natural abundance' D2O 10 % 'natural abundance' stop_ save_ ############################ # Computer software used # ############################ save_xwinnmr _Saveframe_category software _Name xwinnmr _Version . loop_ _Vendor _Address _Electronic_address 'Bruker Biospin' . . stop_ loop_ _Task collection stop_ _Details . save_ 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_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _Field_strength 700 _Details 'equipped with TCI-CryoProbe' 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_2D_1H-13C_HSQC_2 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-13C HSQC' _Sample_label $sample_1 save_ save_3D_HNCO_3 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCO' _Sample_label $sample_1 save_ save_3D_HNCA_4 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCA' _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_CBCA(CO)NH_6 _Saveframe_category NMR_applied_experiment _Experiment_name '3D CBCA(CO)NH' _Sample_label $sample_1 save_ save_3D_C(CO)NH_7 _Saveframe_category NMR_applied_experiment _Experiment_name '3D C(CO)NH' _Sample_label $sample_1 save_ save_3D_HBHA(CO)NH_8 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HBHA(CO)NH' _Sample_label $sample_1 save_ save_3D_HCCH-TOCSY_9 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HCCH-TOCSY' _Sample_label $sample_1 save_ save_3D_1H-15N_NOESY_10 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-15N NOESY' _Sample_label $sample_1 save_ save_3D_1H-13C_NOESY_aliphatic_11 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-13C NOESY aliphatic' _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 internal direct . . . 1.000000000 DSS N 15 'methyl protons' ppm 0.00 na indirect . . . 0.101329118 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chem_shift_list_1 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Experiment_label '2D 1H-15N HSQC' '3D HNCACB' '3D CBCA(CO)NH' '3D HCCH-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 'PFV RNase H' _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 3 3 MET C C 178.23 0.20 1 2 3 3 MET CA C 55.51 0.20 1 3 3 3 MET CB C 32.70 0.20 1 4 4 4 GLY H H 8.29 0.03 1 5 4 4 GLY HA2 H 3.90 0.03 2 6 4 4 GLY HA3 H 4.14 0.03 2 7 4 4 GLY C C 174.23 0.20 1 8 4 4 GLY CA C 46.30 0.20 1 9 4 4 GLY N N 107.53 0.20 1 10 5 5 GLN H H 7.89 0.03 1 11 5 5 GLN HA H 4.21 0.03 1 12 5 5 GLN HB2 H 1.81 0.03 2 13 5 5 GLN HB3 H 1.81 0.03 2 14 5 5 GLN HG2 H 1.76 0.03 2 15 5 5 GLN HG3 H 1.89 0.03 2 16 5 5 GLN C C 175.67 0.20 1 17 5 5 GLN CA C 56.00 0.20 1 18 5 5 GLN CB C 28.70 0.20 1 19 5 5 GLN CG C 33.29 0.20 1 20 5 5 GLN N N 117.06 0.20 1 21 6 6 TYR H H 7.37 0.03 1 22 6 6 TYR HA H 4.56 0.03 1 23 6 6 TYR HB2 H 2.68 0.03 2 24 6 6 TYR HB3 H 3.29 0.03 2 25 6 6 TYR HD1 H 7.01 0.03 1 26 6 6 TYR HD2 H 7.01 0.03 1 27 6 6 TYR HE1 H 6.78 0.03 1 28 6 6 TYR HE2 H 6.78 0.03 1 29 6 6 TYR C C 176.02 0.20 1 30 6 6 TYR CA C 58.02 0.20 1 31 6 6 TYR CB C 39.69 0.20 1 32 6 6 TYR N N 118.04 0.20 1 33 7 7 GLU H H 9.66 0.03 1 34 7 7 GLU HA H 4.38 0.03 1 35 7 7 GLU HB2 H 1.91 0.03 2 36 7 7 GLU HB3 H 1.99 0.03 2 37 7 7 GLU HG2 H 2.32 0.03 2 38 7 7 GLU HG3 H 2.71 0.03 2 39 7 7 GLU C C 178.01 0.20 1 40 7 7 GLU CA C 56.88 0.20 1 41 7 7 GLU CB C 30.39 0.20 1 42 7 7 GLU CG C 36.57 0.20 1 43 7 7 GLU N N 123.18 0.20 1 44 8 8 GLY H H 7.64 0.03 1 45 8 8 GLY HA2 H 3.70 0.03 2 46 8 8 GLY HA3 H 4.70 0.03 2 47 8 8 GLY C C 169.57 0.20 1 48 8 8 GLY CA C 45.19 0.20 1 49 8 8 GLY N N 103.87 0.20 1 50 9 9 VAL H H 9.04 0.03 1 51 9 9 VAL HA H 5.22 0.03 1 52 9 9 VAL HB H 1.94 0.03 1 53 9 9 VAL HG1 H 1.12 0.03 2 54 9 9 VAL HG2 H 0.62 0.03 2 55 9 9 VAL C C 174.16 0.20 1 56 9 9 VAL CA C 60.77 0.20 1 57 9 9 VAL CB C 35.38 0.20 1 58 9 9 VAL CG1 C 21.42 0.20 2 59 9 9 VAL CG2 C 20.60 0.20 2 60 9 9 VAL N N 123.00 0.20 1 61 10 10 PHE H H 9.69 0.03 1 62 10 10 PHE HA H 6.09 0.03 1 63 10 10 PHE HB2 H 2.60 0.03 2 64 10 10 PHE HB3 H 2.91 0.03 2 65 10 10 PHE HD1 H 6.98 0.03 1 66 10 10 PHE HD2 H 6.98 0.03 1 67 10 10 PHE HE1 H 6.40 0.03 1 68 10 10 PHE HE2 H 6.40 0.03 1 69 10 10 PHE HZ H 6.89 0.03 1 70 10 10 PHE C C 174.94 0.20 1 71 10 10 PHE CA C 55.17 0.20 1 72 10 10 PHE CB C 42.44 0.20 1 73 10 10 PHE N N 124.54 0.20 1 74 11 11 TYR H H 9.44 0.03 1 75 11 11 TYR HA H 4.75 0.03 1 76 11 11 TYR HB2 H 2.68 0.03 2 77 11 11 TYR HB3 H 2.76 0.03 2 78 11 11 TYR HD1 H 7.05 0.03 1 79 11 11 TYR HD2 H 7.05 0.03 1 80 11 11 TYR HE1 H 6.92 0.03 1 81 11 11 TYR HE2 H 6.92 0.03 1 82 11 11 TYR C C 176.03 0.20 1 83 11 11 TYR CA C 58.41 0.20 1 84 11 11 TYR CB C 40.60 0.20 1 85 11 11 TYR N N 122.30 0.20 1 86 12 12 THR H H 8.31 0.03 1 87 12 12 THR HA H 5.81 0.03 1 88 12 12 THR HB H 4.19 0.03 1 89 12 12 THR HG2 H 1.18 0.03 1 90 12 12 THR C C 173.06 0.20 1 91 12 12 THR CA C 59.36 0.20 1 92 12 12 THR CB C 71.80 0.20 1 93 12 12 THR CG2 C 23.22 0.02 1 94 12 12 THR N N 113.12 0.20 1 95 13 13 ASP H H 9.08 0.03 1 96 13 13 ASP HA H 5.15 0.03 1 97 13 13 ASP HB2 H 2.74 0.03 2 98 13 13 ASP HB3 H 2.74 0.03 2 99 13 13 ASP C C 173.80 0.20 1 100 13 13 ASP CA C 54.08 0.20 1 101 13 13 ASP CB C 44.35 0.20 1 102 13 13 ASP N N 119.86 0.20 1 103 14 14 GLY H H 8.62 0.03 1 104 14 14 GLY HA2 H 3.18 0.03 2 105 14 14 GLY HA3 H 5.06 0.03 2 106 14 14 GLY C C 171.32 0.20 1 107 14 14 GLY CA C 44.00 0.20 1 108 14 14 GLY N N 108.86 0.20 1 109 15 15 SER H H 8.66 0.03 1 110 15 15 SER HA H 4.72 0.03 1 111 15 15 SER HB2 H 3.38 0.03 2 112 15 15 SER HB3 H 3.64 0.03 2 113 15 15 SER C C 172.36 0.20 1 114 15 15 SER CA C 56.86 0.20 1 115 15 15 SER CB C 65.25 0.20 1 116 15 15 SER N N 116.64 0.20 1 117 16 16 ALA H H 8.47 0.03 1 118 16 16 ALA HA H 5.09 0.03 1 119 16 16 ALA HB H 1.36 0.03 1 120 16 16 ALA C C 176.34 0.20 1 121 16 16 ALA CA C 52.08 0.20 1 122 16 16 ALA CB C 22.20 0.20 1 123 16 16 ALA N N 124.64 0.20 1 124 17 17 ILE H H 8.46 0.03 1 125 17 17 ILE HA H 4.34 0.03 1 126 17 17 ILE HB H 1.86 0.03 1 127 17 17 ILE HG12 H 1.12 0.03 2 128 17 17 ILE HG13 H 1.40 0.03 2 129 17 17 ILE HG2 H 0.90 0.03 1 130 17 17 ILE HD1 H 0.74 0.03 1 131 17 17 ILE C C 175.94 0.20 1 132 17 17 ILE CA C 60.33 0.20 1 133 17 17 ILE CB C 40.12 0.20 1 134 17 17 ILE CG1 C 27.10 0.20 1 135 17 17 ILE CG2 C 17.57 0.20 1 136 17 17 ILE CD1 C 13.44 0.20 1 137 17 17 ILE N N 120.40 0.20 1 138 18 18 LYS H H 8.50 0.03 1 139 18 18 LYS HA H 4.43 0.03 1 140 18 18 LYS HB2 H 1.80 0.03 2 141 18 18 LYS HB3 H 1.80 0.03 2 142 18 18 LYS HG2 H 1.54 0.03 2 143 18 18 LYS HG3 H 1.54 0.03 2 144 18 18 LYS HD2 H 1.74 0.03 2 145 18 18 LYS HD3 H 1.74 0.03 2 146 18 18 LYS HE2 H 3.06 0.03 2 147 18 18 LYS HE3 H 3.06 0.03 2 148 18 18 LYS C C 176.42 0.20 1 149 18 18 LYS CA C 56.37 0.20 1 150 18 18 LYS CB C 32.74 0.20 1 151 18 18 LYS CG C 24.81 0.20 1 152 18 18 LYS CD C 29.16 0.20 1 153 18 18 LYS CE C 42.13 0.20 1 154 18 18 LYS N N 126.25 0.20 1 155 19 19 SER H H 8.23 0.03 1 156 19 19 SER HA H 4.74 0.03 1 157 19 19 SER HB2 H 3.72 0.03 2 158 19 19 SER HB3 H 3.80 0.03 2 159 19 19 SER CA C 55.52 0.20 1 160 19 19 SER CB C 64.30 0.20 1 161 19 19 SER N N 119.00 0.20 1 162 22 22 PRO HA H 4.56 0.03 1 163 22 22 PRO HB2 H 2.09 0.03 2 164 22 22 PRO HB3 H 2.40 0.03 2 165 22 22 PRO HG2 H 2.03 0.03 2 166 22 22 PRO HG3 H 2.03 0.03 2 167 22 22 PRO HD2 H 4.06 0.03 2 168 22 22 PRO HD3 H 3.99 0.03 2 169 22 22 PRO C C 177.95 0.20 1 170 22 22 PRO CA C 64.32 0.20 1 171 22 22 PRO CB C 32.25 0.20 1 172 22 22 PRO CG C 27.06 0.20 1 173 22 22 PRO CD C 50.97 0.20 1 174 23 23 THR H H 8.50 0.03 1 175 23 23 THR HA H 4.34 0.03 1 176 23 23 THR HB H 4.34 0.03 1 177 23 23 THR HG2 H 1.27 0.03 1 178 23 23 THR C C 174.88 0.20 1 179 23 23 THR CA C 62.88 0.20 1 180 23 23 THR CB C 69.58 0.20 1 181 23 23 THR CG2 C 21.77 0.02 1 182 23 23 THR N N 110.08 0.20 1 183 24 24 LYS H H 7.77 0.03 1 184 24 24 LYS HA H 4.58 0.03 1 185 24 24 LYS HB2 H 1.87 0.03 2 186 24 24 LYS HB3 H 1.87 0.03 2 187 24 24 LYS HG2 H 1.43 0.03 2 188 24 24 LYS HG3 H 1.43 0.03 2 189 24 24 LYS HD2 H 1.69 0.03 2 190 24 24 LYS HD3 H 1.69 0.03 2 191 24 24 LYS HE2 H 3.00 0.03 2 192 24 24 LYS HE3 H 3.00 0.03 2 193 24 24 LYS C C 176.07 0.20 1 194 24 24 LYS CA C 55.15 0.20 1 195 24 24 LYS CB C 33.90 0.20 1 196 24 24 LYS CG C 24.96 0.20 1 197 24 24 LYS CD C 29.01 0.20 1 198 24 24 LYS CE C 42.27 0.20 1 199 24 24 LYS N N 122.22 0.20 1 200 25 25 SER H H 8.13 0.03 1 201 25 25 SER HA H 4.42 0.03 1 202 25 25 SER HB2 H 3.89 0.03 2 203 25 25 SER HB3 H 3.89 0.03 2 204 25 25 SER C C 174.32 0.20 1 205 25 25 SER CA C 59.34 0.20 1 206 25 25 SER CB C 63.92 0.20 1 207 25 25 SER N N 115.36 0.20 1 208 26 26 ASN H H 8.25 0.03 1 209 26 26 ASN HA H 5.06 0.03 1 210 26 26 ASN HB2 H 2.67 0.03 2 211 26 26 ASN HB3 H 2.77 0.03 2 212 26 26 ASN C C 173.98 0.20 1 213 26 26 ASN CA C 53.28 0.20 1 214 26 26 ASN CB C 41.47 0.20 1 215 26 26 ASN N N 119.76 0.20 1 216 27 27 ASN H H 8.43 0.03 1 217 27 27 ASN HA H 5.02 0.03 1 218 27 27 ASN HB2 H 2.67 0.03 2 219 27 27 ASN HB3 H 2.97 0.03 2 220 27 27 ASN C C 173.48 0.20 1 221 27 27 ASN CA C 53.53 0.20 1 222 27 27 ASN CB C 41.45 0.20 1 223 27 27 ASN N N 118.76 0.20 1 224 28 28 ALA H H 8.68 0.03 1 225 28 28 ALA HA H 5.36 0.03 1 226 28 28 ALA HB H 1.46 0.03 1 227 28 28 ALA C C 176.33 0.20 1 228 28 28 ALA CA C 50.88 0.20 1 229 28 28 ALA CB C 23.55 0.20 1 230 28 28 ALA N N 124.79 0.20 1 231 29 29 GLY H H 8.90 0.03 1 232 29 29 GLY HA2 H 3.85 0.03 2 233 29 29 GLY HA3 H 4.72 0.03 2 234 29 29 GLY C C 170.93 0.20 1 235 29 29 GLY CA C 44.67 0.20 1 236 29 29 GLY N N 107.54 0.20 1 237 30 30 MET H H 8.88 0.03 1 238 30 30 MET HA H 5.57 0.03 1 239 30 30 MET HB2 H 1.85 0.03 2 240 30 30 MET HB3 H 1.85 0.03 2 241 30 30 MET HG2 H 2.06 0.03 2 242 30 30 MET HG3 H 2.45 0.03 2 243 30 30 MET HE H 1.72 0.03 1 244 30 30 MET C C 172.66 0.20 1 245 30 30 MET CA C 53.66 0.20 1 246 30 30 MET CB C 36.06 0.20 1 247 30 30 MET CG C 31.26 0.20 1 248 30 30 MET CE C 18.30 0.20 1 249 30 30 MET N N 114.05 0.20 1 250 31 31 GLY H H 9.03 0.03 1 251 31 31 GLY HA2 H 3.95 0.03 2 252 31 31 GLY HA3 H 5.27 0.03 2 253 31 31 GLY C C 172.08 0.20 1 254 31 31 GLY CA C 44.51 0.20 1 255 31 31 GLY N N 109.25 0.20 1 256 32 32 ILE H H 8.85 0.03 1 257 32 32 ILE HA H 5.70 0.03 1 258 32 32 ILE HB H 2.10 0.03 1 259 32 32 ILE HG12 H 1.81 0.03 2 260 32 32 ILE HG13 H 1.81 0.03 2 261 32 32 ILE HG2 H 1.37 0.03 1 262 32 32 ILE HD1 H 0.43 0.03 1 263 32 32 ILE C C 174.00 0.20 1 264 32 32 ILE CA C 61.45 0.20 1 265 32 32 ILE CB C 42.83 0.20 1 266 32 32 ILE CG1 C 31.50 0.20 1 267 32 32 ILE CG2 C 23.80 0.20 1 268 32 32 ILE CD1 C 15.94 0.20 1 269 32 32 ILE N N 122.78 0.20 1 270 33 33 VAL H H 9.73 0.03 1 271 33 33 VAL HA H 4.68 0.03 1 272 33 33 VAL HB H 2.52 0.03 1 273 33 33 VAL HG1 H 1.23 0.03 2 274 33 33 VAL HG2 H 1.05 0.03 2 275 33 33 VAL C C 174.69 0.20 1 276 33 33 VAL CA C 61.34 0.20 1 277 33 33 VAL CB C 36.52 0.20 1 278 33 33 VAL CG1 C 21.84 0.20 2 279 33 33 VAL CG2 C 21.84 0.20 2 280 33 33 VAL N N 127.74 0.20 1 281 34 34 HIS H H 9.16 0.03 1 282 34 34 HIS HA H 4.80 0.03 1 283 34 34 HIS HB2 H 3.11 0.03 2 284 34 34 HIS HB3 H 3.25 0.03 2 285 34 34 HIS HD2 H 7.10 0.03 1 286 34 34 HIS HE1 H 7.62 0.03 1 287 34 34 HIS C C 172.68 0.20 1 288 34 34 HIS CA C 52.92 0.20 1 289 34 34 HIS CB C 34.82 0.20 1 290 34 34 HIS CD2 C 120.29 0.20 1 291 34 34 HIS N N 128.26 0.20 1 292 35 35 ALA H H 9.99 0.03 1 293 35 35 ALA HA H 5.37 0.03 1 294 35 35 ALA HB H 1.37 0.03 1 295 35 35 ALA C C 175.05 0.20 1 296 35 35 ALA CA C 49.91 0.20 1 297 35 35 ALA CB C 24.04 0.20 1 298 35 35 ALA N N 132.14 0.20 1 299 36 36 THR H H 8.24 0.03 1 300 36 36 THR HA H 4.66 0.03 1 301 36 36 THR HB H 4.18 0.03 1 302 36 36 THR HG2 H 1.12 0.03 1 303 36 36 THR C C 171.07 0.20 1 304 36 36 THR CA C 60.01 0.20 1 305 36 36 THR CB C 70.94 0.20 1 306 36 36 THR CG2 C 20.81 0.02 1 307 36 36 THR N N 110.77 0.20 1 308 37 37 TYR H H 8.73 0.03 1 309 37 37 TYR HA H 4.39 0.03 1 310 37 37 TYR HB2 H 2.55 0.03 2 311 37 37 TYR HB3 H 3.02 0.03 2 312 37 37 TYR HD1 H 7.14 0.03 1 313 37 37 TYR HD2 H 7.14 0.03 1 314 37 37 TYR HE1 H 6.88 0.03 1 315 37 37 TYR HE2 H 6.88 0.03 1 316 37 37 TYR C C 174.77 0.20 1 317 37 37 TYR CA C 57.48 0.20 1 318 37 37 TYR CB C 38.80 0.20 1 319 37 37 TYR N N 121.81 0.20 1 320 38 38 LYS H H 8.18 0.03 1 321 38 38 LYS HA H 4.86 0.03 1 322 38 38 LYS HB2 H 1.72 0.03 2 323 38 38 LYS HB3 H 1.90 0.03 2 324 38 38 LYS HG2 H 1.37 0.03 2 325 38 38 LYS HG3 H 1.54 0.03 2 326 38 38 LYS HD2 H 1.72 0.03 2 327 38 38 LYS HD3 H 1.79 0.03 2 328 38 38 LYS HE2 H 3.06 0.03 2 329 38 38 LYS HE3 H 3.06 0.03 2 330 38 38 LYS CA C 53.14 0.20 1 331 38 38 LYS CB C 33.88 0.20 1 332 38 38 LYS CG C 24.20 0.20 1 333 38 38 LYS CD C 29.24 0.20 1 334 38 38 LYS CE C 42.01 0.20 1 335 38 38 LYS N N 121.67 0.20 1 336 39 39 PRO HA H 4.56 0.03 1 337 39 39 PRO HB2 H 2.18 0.03 2 338 39 39 PRO HB3 H 2.32 0.03 2 339 39 39 PRO HG2 H 1.91 0.03 2 340 39 39 PRO HG3 H 2.07 0.03 2 341 39 39 PRO HD2 H 3.77 0.03 2 342 39 39 PRO HD3 H 3.77 0.03 2 343 39 39 PRO C C 176.65 0.20 1 344 39 39 PRO CA C 64.52 0.20 1 345 39 39 PRO CB C 34.09 0.20 1 346 39 39 PRO CG C 24.23 0.20 1 347 39 39 PRO CD C 50.46 0.20 1 348 40 40 GLU H H 7.61 0.03 1 349 40 40 GLU HA H 4.61 0.03 1 350 40 40 GLU HB2 H 1.94 0.03 2 351 40 40 GLU HB3 H 2.16 0.03 2 352 40 40 GLU HG2 H 2.20 0.03 2 353 40 40 GLU HG3 H 2.20 0.03 2 354 40 40 GLU C C 174.39 0.20 1 355 40 40 GLU CA C 54.48 0.20 1 356 40 40 GLU CB C 32.04 0.20 1 357 40 40 GLU CG C 35.82 0.20 1 358 40 40 GLU N N 119.37 0.20 1 359 41 41 TYR H H 8.60 0.03 1 360 41 41 TYR HA H 3.97 0.03 1 361 41 41 TYR HB2 H 2.58 0.03 2 362 41 41 TYR HB3 H 2.97 0.03 2 363 41 41 TYR HD1 H 6.56 0.03 1 364 41 41 TYR HD2 H 6.56 0.03 1 365 41 41 TYR HE1 H 6.38 0.03 1 366 41 41 TYR HE2 H 6.38 0.03 1 367 41 41 TYR C C 175.45 0.20 1 368 41 41 TYR CA C 58.91 0.20 1 369 41 41 TYR CB C 38.36 0.20 1 370 41 41 TYR N N 121.75 0.20 1 371 42 42 GLN H H 8.06 0.03 1 372 42 42 GLN HA H 3.98 0.03 1 373 42 42 GLN HB2 H 1.68 0.03 2 374 42 42 GLN HB3 H 1.68 0.03 2 375 42 42 GLN HG2 H 2.02 0.03 2 376 42 42 GLN HG3 H 2.05 0.03 2 377 42 42 GLN C C 173.41 0.20 1 378 42 42 GLN CA C 54.31 0.20 1 379 42 42 GLN CB C 32.09 0.20 1 380 42 42 GLN CG C 33.35 0.20 1 381 42 42 GLN N N 127.72 0.20 1 382 43 43 VAL H H 8.29 0.03 1 383 43 43 VAL HA H 3.57 0.03 1 384 43 43 VAL HB H 1.72 0.03 1 385 43 43 VAL HG1 H 0.69 0.03 2 386 43 43 VAL HG2 H 0.73 0.03 2 387 43 43 VAL C C 176.10 0.20 1 388 43 43 VAL CA C 63.57 0.20 1 389 43 43 VAL CB C 31.99 0.20 1 390 43 43 VAL CG1 C 21.80 0.20 2 391 43 43 VAL CG2 C 21.80 0.20 2 392 43 43 VAL N N 123.73 0.20 1 393 44 44 LEU H H 9.29 0.03 1 394 44 44 LEU HA H 4.19 0.03 1 395 44 44 LEU HB2 H 0.68 0.03 2 396 44 44 LEU HB3 H 1.01 0.03 2 397 44 44 LEU HG H 1.18 0.03 1 398 44 44 LEU HD1 H 0.39 0.03 2 399 44 44 LEU HD2 H 0.55 0.03 2 400 44 44 LEU C C 177.20 0.20 1 401 44 44 LEU CA C 55.69 0.20 1 402 44 44 LEU CB C 42.49 0.20 1 403 44 44 LEU CG C 27.06 0.20 1 404 44 44 LEU CD1 C 24.67 0.20 2 405 44 44 LEU CD2 C 22.42 0.20 2 406 44 44 LEU N N 129.84 0.20 1 407 45 45 ASN H H 7.97 0.03 1 408 45 45 ASN HA H 4.58 0.03 1 409 45 45 ASN HB2 H 1.67 0.03 2 410 45 45 ASN HB3 H 2.45 0.03 2 411 45 45 ASN C C 172.31 0.20 1 412 45 45 ASN CA C 52.07 0.20 1 413 45 45 ASN CB C 44.08 0.20 1 414 45 45 ASN N N 114.93 0.20 1 415 46 46 GLN H H 7.92 0.03 1 416 46 46 GLN HA H 5.17 0.03 1 417 46 46 GLN HB2 H 1.94 0.03 2 418 46 46 GLN HB3 H 1.94 0.03 2 419 46 46 GLN HG2 H 2.03 0.03 2 420 46 46 GLN HG3 H 2.03 0.03 2 421 46 46 GLN C C 173.28 0.20 1 422 46 46 GLN CA C 54.54 0.20 1 423 46 46 GLN CB C 31.70 0.20 1 424 46 46 GLN CG C 33.13 0.20 1 425 46 46 GLN N N 116.02 0.20 1 426 47 47 TRP H H 9.53 0.03 1 427 47 47 TRP HA H 4.92 0.03 1 428 47 47 TRP HB2 H 2.94 0.03 2 429 47 47 TRP HB3 H 2.94 0.03 2 430 47 47 TRP HD1 H 7.48 0.03 1 431 47 47 TRP HE1 H 10.37 0.03 1 432 47 47 TRP HE3 H 7.61 0.03 1 433 47 47 TRP HZ2 H 7.62 0.03 1 434 47 47 TRP HZ3 H 7.09 0.03 1 435 47 47 TRP HH2 H 7.88 0.03 1 436 47 47 TRP C C 173.79 0.20 1 437 47 47 TRP CA C 58.75 0.20 1 438 47 47 TRP CB C 33.97 0.20 1 439 47 47 TRP N N 120.10 0.20 1 440 47 47 TRP NE1 N 129.60 0.20 1 441 48 48 SER H H 8.56 0.03 1 442 48 48 SER HA H 4.95 0.03 1 443 48 48 SER HB2 H 3.75 0.03 2 444 48 48 SER HB3 H 3.75 0.03 2 445 48 48 SER C C 174.38 0.20 1 446 48 48 SER CA C 56.29 0.20 1 447 48 48 SER CB C 63.78 0.20 1 448 48 48 SER N N 117.22 0.20 1 449 49 49 ILE H H 8.93 0.03 1 450 49 49 ILE HA H 4.89 0.03 1 451 49 49 ILE HB H 1.52 0.03 1 452 49 49 ILE HG12 H 1.23 0.03 2 453 49 49 ILE HG13 H 1.04 0.03 2 454 49 49 ILE HG2 H 0.85 0.03 1 455 49 49 ILE HD1 H 0.44 0.03 1 456 49 49 ILE CA C 57.72 0.20 1 457 49 49 ILE CB C 41.76 0.20 1 458 49 49 ILE CG1 C 27.46 0.20 1 459 49 49 ILE CG2 C 16.52 0.20 1 460 49 49 ILE CD1 C 13.78 0.20 1 461 49 49 ILE N N 128.09 0.20 1 462 50 50 PRO HA H 4.66 0.03 1 463 50 50 PRO HB2 H 2.02 0.03 2 464 50 50 PRO HB3 H 2.65 0.03 2 465 50 50 PRO HG2 H 2.21 0.03 2 466 50 50 PRO HG3 H 2.21 0.03 2 467 50 50 PRO HD2 H 3.95 0.03 2 468 50 50 PRO HD3 H 3.95 0.03 2 469 50 50 PRO CA C 62.83 0.20 1 470 50 50 PRO CB C 32.71 0.20 1 471 50 50 PRO CG C 27.29 0.20 1 472 50 50 PRO CD C 51.93 0.20 1 473 51 51 LEU H H 8.54 0.03 1 474 51 51 LEU HA H 4.53 0.03 1 475 51 51 LEU HB2 H 1.12 0.03 2 476 51 51 LEU HB3 H 1.12 0.03 2 477 51 51 LEU HD1 H 0.65 0.03 2 478 51 51 LEU HD2 H 0.65 0.03 2 479 51 51 LEU C C 176.70 0.20 1 480 51 51 LEU CA C 53.04 0.20 1 481 51 51 LEU CB C 45.09 0.20 1 482 51 51 LEU CD1 C 26.00 0.20 2 483 51 51 LEU CD2 C 22.02 0.20 2 484 51 51 LEU N N 122.02 0.20 1 485 53 53 ASN HA H 4.89 0.03 1 486 53 53 ASN HB2 H 2.72 0.03 2 487 53 53 ASN HB3 H 2.98 0.03 2 488 53 53 ASN C C 174.34 0.20 1 489 53 53 ASN CA C 53.51 0.20 1 490 53 53 ASN CB C 37.25 0.20 1 491 54 54 HIS H H 7.89 0.03 1 492 54 54 HIS HA H 4.90 0.03 1 493 54 54 HIS HB2 H 2.51 0.03 2 494 54 54 HIS HB3 H 3.18 0.03 2 495 54 54 HIS HD2 H 6.66 0.03 1 496 54 54 HIS C C 173.93 0.20 1 497 54 54 HIS CA C 55.24 0.20 1 498 54 54 HIS CB C 34.31 0.20 1 499 54 54 HIS N N 121.83 0.20 1 500 55 55 THR H H 7.79 0.03 1 501 55 55 THR HA H 4.31 0.03 1 502 55 55 THR HB H 4.72 0.03 1 503 55 55 THR HG2 H 1.39 0.03 1 504 55 55 THR C C 175.29 0.20 1 505 55 55 THR CA C 60.39 0.20 1 506 55 55 THR CB C 71.38 0.20 1 507 55 55 THR CG2 C 22.28 0.02 1 508 55 55 THR N N 109.10 0.20 1 509 56 56 ALA H H 8.93 0.03 1 510 56 56 ALA HA H 3.74 0.03 1 511 56 56 ALA HB H 1.55 0.03 1 512 56 56 ALA C C 179.00 0.20 1 513 56 56 ALA CA C 55.93 0.20 1 514 56 56 ALA CB C 18.07 0.20 1 515 56 56 ALA N N 122.16 0.20 1 516 57 57 GLN H H 8.31 0.03 1 517 57 57 GLN HA H 4.07 0.03 1 518 57 57 GLN HB2 H 2.03 0.03 2 519 57 57 GLN HB3 H 2.10 0.03 2 520 57 57 GLN HG2 H 2.43 0.03 2 521 57 57 GLN HG3 H 2.43 0.03 2 522 57 57 GLN C C 178.64 0.20 1 523 57 57 GLN CA C 59.67 0.20 1 524 57 57 GLN CB C 30.10 0.20 1 525 57 57 GLN CG C 35.61 0.20 1 526 57 57 GLN N N 115.47 0.20 1 527 58 58 MET H H 7.61 0.03 1 528 58 58 MET HA H 3.47 0.03 1 529 58 58 MET HB2 H 2.20 0.03 2 530 58 58 MET HB3 H 2.20 0.03 2 531 58 58 MET HG2 H 2.38 0.03 2 532 58 58 MET HG3 H 2.54 0.03 2 533 58 58 MET HE H 1.69 0.03 1 534 58 58 MET C C 178.29 0.20 1 535 58 58 MET CA C 59.01 0.20 1 536 58 58 MET CB C 33.31 0.20 1 537 58 58 MET CG C 33.31 0.20 1 538 58 58 MET CE C 17.00 0.20 1 539 58 58 MET N N 117.24 0.20 1 540 59 59 ALA H H 8.06 0.03 1 541 59 59 ALA HA H 3.89 0.03 1 542 59 59 ALA HB H 1.41 0.03 1 543 59 59 ALA C C 178.54 0.20 1 544 59 59 ALA CA C 55.24 0.20 1 545 59 59 ALA CB C 18.84 0.20 1 546 59 59 ALA N N 122.73 0.20 1 547 60 60 GLU H H 8.52 0.03 1 548 60 60 GLU HA H 3.75 0.03 1 549 60 60 GLU HB2 H 1.88 0.03 2 550 60 60 GLU HB3 H 1.88 0.03 2 551 60 60 GLU HG2 H 2.50 0.03 2 552 60 60 GLU HG3 H 2.50 0.03 2 553 60 60 GLU C C 180.34 0.20 1 554 60 60 GLU CA C 59.54 0.20 1 555 60 60 GLU CB C 30.11 0.20 1 556 60 60 GLU CG C 35.61 0.20 1 557 60 60 GLU N N 117.91 0.20 1 558 61 61 ILE H H 7.74 0.03 1 559 61 61 ILE HA H 3.68 0.03 1 560 61 61 ILE HB H 1.33 0.03 1 561 61 61 ILE HG12 H 1.14 0.03 2 562 61 61 ILE HG13 H 0.56 0.03 2 563 61 61 ILE HG2 H 0.38 0.03 1 564 61 61 ILE HD1 H -0.02 0.03 1 565 61 61 ILE C C 176.80 0.20 1 566 61 61 ILE CA C 64.47 0.20 1 567 61 61 ILE CB C 38.28 0.20 1 568 61 61 ILE CG1 C 30.75 0.20 1 569 61 61 ILE CG2 C 16.19 0.20 1 570 61 61 ILE CD1 C 14.03 0.20 1 571 61 61 ILE N N 118.00 0.20 1 572 62 62 ALA H H 8.56 0.03 1 573 62 62 ALA HA H 3.86 0.03 1 574 62 62 ALA HB H 1.50 0.03 1 575 62 62 ALA C C 180.30 0.20 1 576 62 62 ALA CA C 55.18 0.20 1 577 62 62 ALA CB C 18.50 0.20 1 578 62 62 ALA N N 126.25 0.20 1 579 63 63 ALA H H 8.14 0.03 1 580 63 63 ALA HA H 4.40 0.03 1 581 63 63 ALA HB H 1.46 0.03 1 582 63 63 ALA C C 179.08 0.20 1 583 63 63 ALA CA C 55.15 0.20 1 584 63 63 ALA CB C 19.51 0.20 1 585 63 63 ALA N N 122.82 0.20 1 586 64 64 VAL H H 6.89 0.03 1 587 64 64 VAL HA H 3.58 0.03 1 588 64 64 VAL HB H 2.05 0.03 1 589 64 64 VAL HG1 H 1.09 0.03 2 590 64 64 VAL HG2 H 0.76 0.03 2 591 64 64 VAL C C 177.78 0.20 1 592 64 64 VAL CA C 67.22 0.20 1 593 64 64 VAL CB C 31.66 0.20 1 594 64 64 VAL CG1 C 24.04 0.20 2 595 64 64 VAL CG2 C 22.00 0.20 2 596 64 64 VAL N N 117.26 0.20 1 597 65 65 GLU H H 8.56 0.03 1 598 65 65 GLU HA H 3.51 0.03 1 599 65 65 GLU HB2 H 2.32 0.03 2 600 65 65 GLU HB3 H 1.58 0.03 2 601 65 65 GLU C C 176.61 0.20 1 602 65 65 GLU CA C 61.04 0.20 1 603 65 65 GLU CB C 28.38 0.20 1 604 65 65 GLU CG C 35.03 0.20 1 605 65 65 GLU N N 122.69 0.20 1 606 66 66 PHE H H 8.13 0.03 1 607 66 66 PHE HA H 3.65 0.03 1 608 66 66 PHE HB2 H 2.91 0.03 2 609 66 66 PHE HB3 H 3.15 0.03 2 610 66 66 PHE HD1 H 6.69 0.03 1 611 66 66 PHE HD2 H 6.69 0.03 1 612 66 66 PHE HE1 H 6.10 0.03 1 613 66 66 PHE HE2 H 6.10 0.03 1 614 66 66 PHE HZ H 5.64 0.03 1 615 66 66 PHE C C 178.15 0.20 1 616 66 66 PHE CA C 61.19 0.20 1 617 66 66 PHE CB C 39.14 0.20 1 618 66 66 PHE N N 118.29 0.20 1 619 67 67 ALA H H 7.80 0.03 1 620 67 67 ALA HA H 3.18 0.03 1 621 67 67 ALA HB H 1.16 0.03 1 622 67 67 ALA C C 178.05 0.20 1 623 67 67 ALA CA C 54.81 0.20 1 624 67 67 ALA CB C 20.04 0.20 1 625 67 67 ALA N N 120.02 0.20 1 626 68 68 CYS H H 8.33 0.03 1 627 68 68 CYS HA H 3.60 0.03 1 628 68 68 CYS HB2 H 2.41 0.03 2 629 68 68 CYS HB3 H 3.12 0.03 2 630 68 68 CYS C C 175.26 0.20 1 631 68 68 CYS CA C 65.18 0.20 1 632 68 68 CYS CB C 26.51 0.20 1 633 68 68 CYS N N 114.77 0.20 1 634 69 69 LYS H H 7.49 0.03 1 635 69 69 LYS HA H 3.84 0.03 1 636 69 69 LYS HB2 H 1.43 0.03 2 637 69 69 LYS HB3 H 1.59 0.03 2 638 69 69 LYS HG2 H 1.10 0.03 2 639 69 69 LYS HG3 H 1.10 0.03 2 640 69 69 LYS HD2 H 1.38 0.03 2 641 69 69 LYS HD3 H 1.38 0.03 2 642 69 69 LYS HE2 H 2.67 0.03 2 643 69 69 LYS HE3 H 2.67 0.03 2 644 69 69 LYS C C 180.81 0.20 1 645 69 69 LYS CA C 59.00 0.20 1 646 69 69 LYS CB C 31.66 0.20 1 647 69 69 LYS CG C 25.90 0.20 1 648 69 69 LYS CD C 29.16 0.20 1 649 69 69 LYS CE C 41.69 0.20 1 650 69 69 LYS N N 116.07 0.20 1 651 70 70 LYS H H 7.13 0.03 1 652 70 70 LYS HA H 3.76 0.03 1 653 70 70 LYS HB2 H 1.55 0.03 2 654 70 70 LYS HB3 H 1.55 0.03 2 655 70 70 LYS HE2 H 1.85 0.03 2 656 70 70 LYS HE3 H 2.39 0.03 2 657 70 70 LYS C C 179.71 0.20 1 658 70 70 LYS CA C 56.74 0.20 1 659 70 70 LYS CB C 31.86 0.20 1 660 70 70 LYS CG C 23.44 0.20 1 661 70 70 LYS CD C 27.49 0.20 1 662 70 70 LYS CE C 42.00 0.20 1 663 70 70 LYS N N 118.90 0.20 1 664 71 71 ALA H H 8.10 0.03 1 665 71 71 ALA HA H 3.82 0.03 1 666 71 71 ALA HB H 1.23 0.03 1 667 71 71 ALA C C 177.63 0.20 1 668 71 71 ALA CA C 53.79 0.20 1 669 71 71 ALA CB C 18.46 0.20 1 670 71 71 ALA N N 121.65 0.20 1 671 72 72 LEU H H 6.96 0.03 1 672 72 72 LEU HA H 3.95 0.03 1 673 72 72 LEU HB2 H 1.68 0.03 2 674 72 72 LEU HB3 H 1.68 0.03 2 675 72 72 LEU HG H 1.43 0.03 1 676 72 72 LEU HD1 H 0.96 0.03 2 677 72 72 LEU HD2 H 0.96 0.03 2 678 72 72 LEU C C 178.66 0.20 1 679 72 72 LEU CA C 57.07 0.20 1 680 72 72 LEU CB C 41.98 0.20 1 681 72 72 LEU CG C 25.90 0.20 1 682 72 72 LEU CD1 C 23.58 0.20 2 683 72 72 LEU CD2 C 23.58 0.20 2 684 72 72 LEU N N 112.00 0.20 1 685 73 73 LYS H H 7.13 0.03 1 686 73 73 LYS HA H 4.34 0.03 1 687 73 73 LYS HB2 H 2.16 0.03 2 688 73 73 LYS HB3 H 2.16 0.03 2 689 73 73 LYS HG2 H 1.44 0.03 2 690 73 73 LYS HG3 H 1.44 0.03 2 691 73 73 LYS HD2 H 1.69 0.03 2 692 73 73 LYS HD3 H 1.69 0.03 2 693 73 73 LYS HE2 H 3.01 0.03 2 694 73 73 LYS HE3 H 3.03 0.03 2 695 73 73 LYS C C 175.96 0.20 1 696 73 73 LYS CA C 55.20 0.20 1 697 73 73 LYS CB C 32.37 0.20 1 698 73 73 LYS CG C 24.81 0.20 1 699 73 73 LYS CD C 28.49 0.20 1 700 73 73 LYS CE C 41.83 0.20 1 701 73 73 LYS N N 114.08 0.20 1 702 74 74 ILE H H 7.93 0.03 1 703 74 74 ILE HA H 4.44 0.03 1 704 74 74 ILE HB H 2.16 0.03 1 705 74 74 ILE HG12 H 1.54 0.03 2 706 74 74 ILE HG13 H 1.54 0.03 2 707 74 74 ILE HG2 H 0.82 0.03 1 708 74 74 ILE HD1 H 0.94 0.03 1 709 74 74 ILE CA C 58.49 0.20 1 710 74 74 ILE CB C 39.00 0.20 1 711 74 74 ILE CG1 C 27.43 0.20 1 712 74 74 ILE CG2 C 16.57 0.20 1 713 74 74 ILE CD1 C 13.69 0.20 1 714 74 74 ILE N N 124.98 0.20 1 715 75 75 PRO HA H 4.49 0.03 1 716 75 75 PRO HB2 H 2.02 0.03 2 717 75 75 PRO HB3 H 2.28 0.03 2 718 75 75 PRO HD2 H 3.85 0.03 2 719 75 75 PRO HD3 H 3.85 0.03 2 720 75 75 PRO C C 177.51 0.20 1 721 75 75 PRO CA C 63.48 0.20 1 722 75 75 PRO CB C 31.42 0.20 1 723 75 75 PRO CG C 27.57 0.20 1 724 75 75 PRO CD C 51.11 0.20 1 725 76 76 GLY H H 8.21 0.03 1 726 76 76 GLY CA C 44.76 0.20 1 727 76 76 GLY N N 109.06 0.20 1 728 77 77 PRO HA H 4.48 0.03 1 729 77 77 PRO HB2 H 2.28 0.03 2 730 77 77 PRO HB3 H 2.28 0.03 2 731 77 77 PRO HG2 H 2.02 0.03 2 732 77 77 PRO HG3 H 2.02 0.03 2 733 77 77 PRO HD2 H 3.86 0.03 2 734 77 77 PRO HD3 H 3.86 0.03 2 735 77 77 PRO C C 176.59 0.20 1 736 77 77 PRO CA C 63.60 0.20 1 737 77 77 PRO CB C 31.80 0.20 1 738 77 77 PRO CG C 27.10 0.20 1 739 77 77 PRO CD C 50.66 0.20 1 740 78 78 VAL H H 8.38 0.03 1 741 78 78 VAL HA H 5.14 0.03 1 742 78 78 VAL HB H 1.72 0.03 1 743 78 78 VAL HG1 H 1.19 0.03 2 744 78 78 VAL HG2 H 1.02 0.03 2 745 78 78 VAL C C 172.63 0.20 1 746 78 78 VAL CA C 60.63 0.20 1 747 78 78 VAL CB C 37.66 0.20 1 748 78 78 VAL CG1 C 23.07 0.20 2 749 78 78 VAL CG2 C 22.79 0.20 2 750 78 78 VAL N N 121.77 0.20 1 751 79 79 LEU H H 7.89 0.03 1 752 79 79 LEU HA H 4.84 0.03 1 753 79 79 LEU HB2 H -0.31 0.03 2 754 79 79 LEU HB3 H 1.28 0.03 2 755 79 79 LEU HD1 H 0.54 0.03 2 756 79 79 LEU HD2 H 0.50 0.03 2 757 79 79 LEU C C 173.98 0.20 1 758 79 79 LEU CA C 52.54 0.20 1 759 79 79 LEU CB C 43.88 0.20 1 760 79 79 LEU CD1 C 22.71 0.20 2 761 79 79 LEU CD2 C 26.48 0.20 2 762 79 79 LEU N N 129.60 0.20 1 763 80 80 VAL H H 9.47 0.03 1 764 80 80 VAL HA H 4.67 0.03 1 765 80 80 VAL HB H 1.98 0.03 1 766 80 80 VAL HG1 H 0.82 0.03 2 767 80 80 VAL HG2 H 0.72 0.03 2 768 80 80 VAL C C 173.51 0.20 1 769 80 80 VAL CA C 61.45 0.20 1 770 80 80 VAL CB C 33.42 0.20 1 771 80 80 VAL CG1 C 21.95 0.20 2 772 80 80 VAL CG2 C 20.88 0.20 2 773 80 80 VAL N N 127.72 0.20 1 774 81 81 ILE H H 9.18 0.03 1 775 81 81 ILE HA H 5.03 0.03 1 776 81 81 ILE HB H 1.67 0.03 1 777 81 81 ILE HG12 H 0.72 0.03 2 778 81 81 ILE HG13 H 0.72 0.03 2 779 81 81 ILE HG2 H 0.89 0.03 1 780 81 81 ILE HD1 H 0.19 0.03 1 781 81 81 ILE C C 174.93 0.20 1 782 81 81 ILE CA C 58.19 0.20 1 783 81 81 ILE CB C 38.65 0.20 1 784 81 81 ILE CG1 C 26.90 0.20 1 785 81 81 ILE CG2 C 18.47 0.20 1 786 81 81 ILE CD1 C 11.19 0.20 1 787 81 81 ILE N N 127.56 0.20 1 788 82 82 THR H H 8.26 0.03 1 789 82 82 THR HA H 5.01 0.03 1 790 82 82 THR HB H 3.80 0.03 1 791 82 82 THR HG2 H 1.13 0.03 1 792 82 82 THR C C 171.86 0.20 1 793 82 82 THR CA C 58.65 0.20 1 794 82 82 THR CB C 69.96 0.20 1 795 82 82 THR CG2 C 19.02 0.02 1 796 82 82 THR N N 121.44 0.20 1 797 83 83 ASP H H 8.35 0.03 1 798 83 83 ASP HA H 5.04 0.03 1 799 83 83 ASP HB2 H 2.77 0.03 2 800 83 83 ASP HB3 H 3.09 0.03 2 801 83 83 ASP C C 176.81 0.20 1 802 83 83 ASP CA C 54.40 0.20 1 803 83 83 ASP CB C 41.21 0.20 1 804 83 83 ASP N N 127.39 0.20 1 805 84 84 SER H H 8.60 0.03 1 806 84 84 SER HA H 4.75 0.03 1 807 84 84 SER HB2 H 3.78 0.03 2 808 84 84 SER HB3 H 4.02 0.03 2 809 84 84 SER C C 175.01 0.20 1 810 84 84 SER CA C 56.54 0.20 1 811 84 84 SER CB C 62.31 0.20 1 812 84 84 SER N N 115.89 0.20 1 813 85 85 PHE H H 8.98 0.03 1 814 85 85 PHE HA H 3.61 0.03 1 815 85 85 PHE HB2 H 2.89 0.03 2 816 85 85 PHE HB3 H 2.89 0.03 2 817 85 85 PHE HD1 H 7.00 0.03 1 818 85 85 PHE HD2 H 7.00 0.03 1 819 85 85 PHE HE1 H 7.28 0.03 1 820 85 85 PHE HE2 H 7.28 0.03 1 821 85 85 PHE C C 176.51 0.20 1 822 85 85 PHE CA C 61.92 0.20 1 823 85 85 PHE CB C 39.19 0.20 1 824 85 85 PHE N N 133.76 0.20 1 825 86 86 TYR H H 8.64 0.03 1 826 86 86 TYR HA H 4.30 0.03 1 827 86 86 TYR HB2 H 2.77 0.03 2 828 86 86 TYR HB3 H 3.47 0.03 2 829 86 86 TYR HD1 H 7.17 0.03 1 830 86 86 TYR HD2 H 7.17 0.03 1 831 86 86 TYR HE1 H 6.99 0.03 1 832 86 86 TYR HE2 H 6.99 0.03 1 833 86 86 TYR C C 178.59 0.20 1 834 86 86 TYR CA C 60.98 0.20 1 835 86 86 TYR CB C 39.02 0.20 1 836 86 86 TYR N N 117.64 0.20 1 837 87 87 VAL H H 8.15 0.03 1 838 87 87 VAL HA H 3.57 0.03 1 839 87 87 VAL HB H 2.14 0.03 1 840 87 87 VAL HG1 H 1.09 0.03 2 841 87 87 VAL HG2 H 0.95 0.03 2 842 87 87 VAL C C 177.28 0.20 1 843 87 87 VAL CA C 66.69 0.20 1 844 87 87 VAL CB C 31.55 0.20 1 845 87 87 VAL CG1 C 23.73 0.20 2 846 87 87 VAL CG2 C 21.99 0.20 2 847 87 87 VAL N N 120.09 0.20 1 848 88 88 ALA H H 7.89 0.03 1 849 88 88 ALA HA H 4.41 0.03 1 850 88 88 ALA HB H 1.42 0.03 1 851 88 88 ALA CA C 55.97 0.20 1 852 88 88 ALA CB C 18.96 0.20 1 853 88 88 ALA N N 120.30 0.20 1 854 90 90 SER HA H 3.90 0.03 1 855 90 90 SER HB2 H 3.09 0.03 2 856 90 90 SER HB3 H 3.69 0.03 2 857 90 90 SER C C 176.01 0.20 1 858 90 90 SER CA C 63.15 0.20 1 859 90 90 SER CB C 63.15 0.20 1 860 91 91 ALA H H 8.65 0.03 1 861 91 91 ALA HA H 3.90 0.03 1 862 91 91 ALA HB H 1.54 0.03 1 863 91 91 ALA C C 176.95 0.20 1 864 91 91 ALA CA C 55.03 0.20 1 865 91 91 ALA CB C 18.23 0.20 1 866 91 91 ALA N N 122.79 0.20 1 867 92 92 ASN H H 7.36 0.03 1 868 92 92 ASN HA H 4.60 0.03 1 869 92 92 ASN HB2 H 2.72 0.03 2 870 92 92 ASN HB3 H 2.72 0.03 2 871 92 92 ASN C C 176.34 0.20 1 872 92 92 ASN CA C 55.46 0.20 1 873 92 92 ASN CB C 40.63 0.20 1 874 92 92 ASN N N 110.25 0.20 1 875 93 93 LYS H H 8.31 0.03 1 876 93 93 LYS HA H 4.38 0.03 1 877 93 93 LYS HB2 H 1.84 0.03 2 878 93 93 LYS HB3 H 1.84 0.03 2 879 93 93 LYS HG2 H 1.43 0.03 2 880 93 93 LYS HG3 H 1.43 0.03 2 881 93 93 LYS HD2 H 1.55 0.03 2 882 93 93 LYS HD3 H 1.55 0.03 2 883 93 93 LYS HE2 H 2.99 0.03 2 884 93 93 LYS HE3 H 2.99 0.03 2 885 93 93 LYS C C 177.08 0.20 1 886 93 93 LYS CA C 57.57 0.20 1 887 93 93 LYS CB C 34.31 0.20 1 888 93 93 LYS CG C 25.61 0.20 1 889 93 93 LYS CD C 29.01 0.20 1 890 93 93 LYS CE C 42.13 0.20 1 891 93 93 LYS N N 115.74 0.20 1 892 94 94 GLU H H 7.33 0.03 1 893 94 94 GLU HA H 4.24 0.03 1 894 94 94 GLU HB2 H 0.80 0.03 2 895 94 94 GLU HB3 H 0.84 0.03 2 896 94 94 GLU HG2 H 1.94 0.03 2 897 94 94 GLU HG3 H 1.84 0.03 2 898 94 94 GLU C C 176.17 0.20 1 899 94 94 GLU CA C 56.97 0.20 1 900 94 94 GLU CB C 30.26 0.20 1 901 94 94 GLU CG C 35.97 0.20 1 902 94 94 GLU N N 116.65 0.20 1 903 95 95 LEU H H 7.43 0.03 1 904 95 95 LEU HA H 3.68 0.03 1 905 95 95 LEU HB2 H 1.09 0.03 2 906 95 95 LEU HB3 H 2.07 0.03 2 907 95 95 LEU HG H 1.77 0.03 1 908 95 95 LEU HD1 H 1.16 0.03 2 909 95 95 LEU HD2 H 1.40 0.03 2 910 95 95 LEU CA C 58.80 0.20 1 911 95 95 LEU CB C 39.70 0.20 1 912 95 95 LEU CG C 27.43 0.20 1 913 95 95 LEU CD1 C 25.95 0.20 2 914 95 95 LEU CD2 C 25.95 0.20 2 915 95 95 LEU N N 119.60 0.20 1 916 96 96 PRO HA H 4.05 0.03 1 917 96 96 PRO HB2 H 1.36 0.03 2 918 96 96 PRO HB3 H 2.19 0.03 2 919 96 96 PRO HG2 H 1.84 0.03 2 920 96 96 PRO HG3 H 1.84 0.03 2 921 96 96 PRO HD2 H 2.88 0.03 2 922 96 96 PRO HD3 H 3.41 0.03 2 923 96 96 PRO C C 178.94 0.20 1 924 96 96 PRO CA C 66.29 0.20 1 925 96 96 PRO CB C 30.79 0.20 1 926 96 96 PRO CG C 28.51 0.20 1 927 96 96 PRO CD C 49.88 0.20 1 928 97 97 TYR H H 7.05 0.03 1 929 97 97 TYR HA H 4.22 0.03 1 930 97 97 TYR HB2 H 2.94 0.03 2 931 97 97 TYR HB3 H 2.94 0.03 2 932 97 97 TYR HD1 H 7.06 0.03 1 933 97 97 TYR HD2 H 7.06 0.03 1 934 97 97 TYR HE1 H 6.81 0.03 1 935 97 97 TYR HE2 H 6.81 0.03 1 936 97 97 TYR C C 176.84 0.20 1 937 97 97 TYR CA C 60.12 0.20 1 938 97 97 TYR CB C 37.57 0.20 1 939 97 97 TYR N N 117.10 0.20 1 940 98 98 TRP H H 8.00 0.03 1 941 98 98 TRP HA H 4.43 0.03 1 942 98 98 TRP HB2 H 2.26 0.03 2 943 98 98 TRP HB3 H 2.94 0.03 2 944 98 98 TRP HD1 H 7.01 0.03 1 945 98 98 TRP HE1 H 10.03 0.03 1 946 98 98 TRP HE3 H 7.81 0.03 1 947 98 98 TRP HZ2 H 7.27 0.03 1 948 98 98 TRP HZ3 H 6.84 0.03 1 949 98 98 TRP HH2 H 6.44 0.03 1 950 98 98 TRP C C 178.86 0.20 1 951 98 98 TRP CA C 57.47 0.20 1 952 98 98 TRP CB C 28.93 0.20 1 953 98 98 TRP N N 122.60 0.20 1 954 98 98 TRP NE1 N 128.54 0.20 1 955 99 99 LYS H H 8.49 0.03 1 956 99 99 LYS HA H 3.47 0.03 1 957 99 99 LYS HB2 H 1.80 0.03 2 958 99 99 LYS HB3 H 1.80 0.03 2 959 99 99 LYS HG2 H 1.47 0.03 2 960 99 99 LYS HG3 H 1.52 0.03 2 961 99 99 LYS HD2 H 1.66 0.03 2 962 99 99 LYS HD3 H 1.76 0.03 2 963 99 99 LYS HE2 H 3.00 0.03 2 964 99 99 LYS HE3 H 3.00 0.03 2 965 99 99 LYS C C 179.14 0.20 1 966 99 99 LYS CA C 58.86 0.20 1 967 99 99 LYS CB C 32.26 0.20 1 968 99 99 LYS CG C 24.52 0.20 1 969 99 99 LYS CD C 29.88 0.20 1 970 99 99 LYS CE C 41.65 0.20 1 971 99 99 LYS N N 117.04 0.20 1 972 100 100 SER H H 7.61 0.03 1 973 100 100 SER HA H 4.33 0.03 1 974 100 100 SER HB2 H 3.92 0.03 2 975 100 100 SER HB3 H 3.92 0.03 2 976 100 100 SER C C 175.02 0.20 1 977 100 100 SER CA C 60.51 0.20 1 978 100 100 SER CB C 63.48 0.20 1 979 100 100 SER N N 114.74 0.20 1 980 101 101 ASN H H 7.78 0.03 1 981 101 101 ASN HA H 4.82 0.03 1 982 101 101 ASN HB2 H 2.71 0.03 2 983 101 101 ASN HB3 H 2.71 0.03 2 984 101 101 ASN C C 175.75 0.20 1 985 101 101 ASN CA C 52.83 0.20 1 986 101 101 ASN CB C 39.51 0.20 1 987 101 101 ASN N N 118.32 0.20 1 988 102 102 GLY H H 7.85 0.03 1 989 102 102 GLY HA2 H 3.88 0.03 2 990 102 102 GLY HA3 H 4.09 0.03 2 991 102 102 GLY C C 174.40 0.20 1 992 102 102 GLY CA C 46.31 0.20 1 993 102 102 GLY N N 108.19 0.20 1 994 103 103 PHE H H 8.75 0.03 1 995 103 103 PHE HA H 3.51 0.03 1 996 103 103 PHE HB2 H 2.96 0.03 2 997 103 103 PHE HB3 H 3.15 0.03 2 998 103 103 PHE HD1 H 7.28 0.03 1 999 103 103 PHE HD2 H 7.28 0.03 1 1000 103 103 PHE HE1 H 6.98 0.03 1 1001 103 103 PHE HE2 H 6.98 0.03 1 1002 103 103 PHE HZ H 7.82 0.03 1 1003 103 103 PHE C C 174.12 0.20 1 1004 103 103 PHE CA C 59.80 0.20 1 1005 103 103 PHE CB C 36.25 0.20 1 1006 103 103 PHE N N 115.54 0.20 1 1007 104 104 VAL H H 7.27 0.03 1 1008 104 104 VAL HA H 4.37 0.03 1 1009 104 104 VAL HB H 1.90 0.03 1 1010 104 104 VAL HG1 H 0.82 0.03 2 1011 104 104 VAL HG2 H 0.89 0.03 2 1012 104 104 VAL C C 175.51 0.20 1 1013 104 104 VAL CA C 60.86 0.20 1 1014 104 104 VAL CB C 33.90 0.20 1 1015 104 104 VAL CG1 C 21.34 0.20 2 1016 104 104 VAL CG2 C 19.60 0.20 2 1017 104 104 VAL N N 114.61 0.20 1 1018 105 105 ASN H H 8.57 0.03 1 1019 105 105 ASN HA H 4.75 0.03 1 1020 105 105 ASN HB2 H 2.83 0.03 2 1021 105 105 ASN HB3 H 3.11 0.03 2 1022 105 105 ASN CA C 51.81 0.20 1 1023 105 105 ASN CB C 39.20 0.20 1 1024 105 105 ASN N N 120.97 0.20 1 1025 108 108 LYS H H 8.77 0.03 1 1026 108 108 LYS HA H 3.99 0.03 1 1027 108 108 LYS HB2 H 1.44 0.03 2 1028 108 108 LYS HB3 H 1.62 0.03 2 1029 108 108 LYS C C 179.84 0.20 1 1030 108 108 LYS CA C 59.08 0.20 1 1031 108 108 LYS CB C 29.15 0.20 1 1032 108 108 LYS CG C 22.86 0.20 1 1033 108 108 LYS CE C 41.40 0.20 1 1034 108 108 LYS N N 118.26 0.20 1 1035 109 109 LYS H H 7.87 0.03 1 1036 109 109 LYS CB C 29.28 0.20 1 1037 109 109 LYS N N 114.48 0.20 1 1038 110 110 PRO HA H 4.44 0.03 1 1039 110 110 PRO HB2 H 1.82 0.03 2 1040 110 110 PRO HB3 H 2.22 0.03 2 1041 110 110 PRO HG2 H 2.02 0.03 2 1042 110 110 PRO HG3 H 1.91 0.03 2 1043 110 110 PRO HD2 H 3.56 0.03 2 1044 110 110 PRO HD3 H 3.56 0.03 2 1045 110 110 PRO C C 176.71 0.20 1 1046 110 110 PRO CA C 63.10 0.20 1 1047 110 110 PRO CB C 32.20 0.20 1 1048 110 110 PRO CG C 27.49 0.20 1 1049 110 110 PRO CD C 50.53 0.20 1 1050 111 111 LEU H H 7.84 0.03 1 1051 111 111 LEU HA H 4.08 0.03 1 1052 111 111 LEU HB2 H 1.11 0.03 2 1053 111 111 LEU HB3 H 1.32 0.03 2 1054 111 111 LEU HG H 1.14 0.03 1 1055 111 111 LEU HD1 H -0.02 0.03 2 1056 111 111 LEU HD2 H 0.10 0.03 2 1057 111 111 LEU C C 178.27 0.20 1 1058 111 111 LEU CA C 54.72 0.20 1 1059 111 111 LEU CB C 42.89 0.20 1 1060 111 111 LEU CG C 26.49 0.20 1 1061 111 111 LEU CD1 C 24.11 0.20 2 1062 111 111 LEU CD2 C 22.55 0.20 2 1063 111 111 LEU N N 122.59 0.20 1 1064 112 112 LYS H H 7.99 0.03 1 1065 112 112 LYS HA H 4.12 0.03 1 1066 112 112 LYS HB2 H 1.47 0.03 2 1067 112 112 LYS HB3 H 1.47 0.03 2 1068 112 112 LYS HG2 H 1.06 0.03 2 1069 112 112 LYS HG3 H 1.27 0.03 2 1070 112 112 LYS HD2 H 1.55 0.03 2 1071 112 112 LYS HD3 H 1.55 0.03 2 1072 112 112 LYS HE2 H 2.89 0.03 2 1073 112 112 LYS HE3 H 2.89 0.03 2 1074 112 112 LYS C C 175.79 0.20 1 1075 112 112 LYS CA C 56.04 0.20 1 1076 112 112 LYS CB C 33.56 0.20 1 1077 112 112 LYS CG C 24.52 0.20 1 1078 112 112 LYS CD C 29.38 0.20 1 1079 112 112 LYS CE C 41.65 0.20 1 1080 112 112 LYS N N 122.61 0.20 1 1081 113 113 HIS H H 8.38 0.03 1 1082 113 113 HIS HA H 4.47 0.03 1 1083 113 113 HIS HB2 H 2.89 0.03 2 1084 113 113 HIS HB3 H 3.49 0.03 2 1085 113 113 HIS HD2 H 7.17 0.03 1 1086 113 113 HIS C C 177.19 0.20 1 1087 113 113 HIS CA C 56.06 0.20 1 1088 113 113 HIS CB C 28.61 0.20 1 1089 113 113 HIS N N 115.05 0.20 1 1090 114 114 ILE H H 7.65 0.03 1 1091 114 114 ILE HA H 3.66 0.03 1 1092 114 114 ILE HB H 2.05 0.03 1 1093 114 114 ILE HG12 H 1.41 0.03 2 1094 114 114 ILE HG13 H 1.41 0.03 2 1095 114 114 ILE HG2 H 0.90 0.03 1 1096 114 114 ILE HD1 H 0.97 0.03 1 1097 114 114 ILE C C 176.35 0.20 1 1098 114 114 ILE CA C 66.09 0.20 1 1099 114 114 ILE CB C 37.58 0.20 1 1100 114 114 ILE CG1 C 29.52 0.20 1 1101 114 114 ILE CG2 C 16.70 0.20 1 1102 114 114 ILE CD1 C 14.45 0.20 1 1103 114 114 ILE N N 118.19 0.20 1 1104 115 115 SER H H 8.47 0.03 1 1105 115 115 SER HA H 3.99 0.03 1 1106 115 115 SER HB2 H 3.85 0.03 2 1107 115 115 SER HB3 H 3.85 0.03 2 1108 115 115 SER C C 177.79 0.20 1 1109 115 115 SER CA C 62.08 0.20 1 1110 115 115 SER CB C 62.00 0.20 1 1111 115 115 SER N N 115.07 0.20 1 1112 116 116 LYS H H 7.51 0.03 1 1113 116 116 LYS HA H 4.07 0.03 1 1114 116 116 LYS HB2 H 1.81 0.03 2 1115 116 116 LYS HB3 H 1.81 0.03 2 1116 116 116 LYS HG2 H 1.45 0.03 2 1117 116 116 LYS HG3 H 1.45 0.03 2 1118 116 116 LYS HE2 H 2.87 0.03 2 1119 116 116 LYS HE3 H 2.87 0.03 2 1120 116 116 LYS C C 178.65 0.20 1 1121 116 116 LYS CA C 57.65 0.20 1 1122 116 116 LYS CB C 32.29 0.20 1 1123 116 116 LYS CG C 24.55 0.20 1 1124 116 116 LYS CD C 28.63 0.20 1 1125 116 116 LYS CE C 41.96 0.20 1 1126 116 116 LYS N N 121.10 0.20 1 1127 117 117 TRP H H 8.26 0.03 1 1128 117 117 TRP HA H 4.87 0.03 1 1129 117 117 TRP HB2 H 3.12 0.03 2 1130 117 117 TRP HB3 H 3.46 0.03 2 1131 117 117 TRP HD1 H 7.41 0.03 1 1132 117 117 TRP HE1 H 10.18 0.03 1 1133 117 117 TRP HE3 H 7.61 0.03 1 1134 117 117 TRP HZ2 H 7.16 0.03 1 1135 117 117 TRP HZ3 H 6.83 0.03 1 1136 117 117 TRP HH2 H 7.16 0.03 1 1137 117 117 TRP C C 179.08 0.20 1 1138 117 117 TRP CA C 60.35 0.20 1 1139 117 117 TRP CB C 30.47 0.20 1 1140 117 117 TRP N N 119.76 0.20 1 1141 117 117 TRP NE1 N 128.35 0.20 1 1142 118 118 LYS H H 8.68 0.03 1 1143 118 118 LYS HA H 3.67 0.03 1 1144 118 118 LYS HB2 H 1.46 0.03 2 1145 118 118 LYS HB3 H 1.58 0.03 2 1146 118 118 LYS HD2 H 1.34 0.03 2 1147 118 118 LYS HD3 H 1.34 0.03 2 1148 118 118 LYS HE2 H 2.66 0.03 2 1149 118 118 LYS HE3 H 2.54 0.03 2 1150 118 118 LYS C C 179.05 0.20 1 1151 118 118 LYS CA C 60.23 0.20 1 1152 118 118 LYS CB C 32.33 0.20 1 1153 118 118 LYS CG C 25.32 0.20 1 1154 118 118 LYS CD C 29.81 0.20 1 1155 118 118 LYS CE C 41.64 0.20 1 1156 118 118 LYS N N 118.79 0.20 1 1157 119 119 SER H H 7.18 0.03 1 1158 119 119 SER HA H 4.35 0.03 1 1159 119 119 SER HB2 H 3.92 0.03 2 1160 119 119 SER HB3 H 4.07 0.03 2 1161 119 119 SER C C 178.10 0.20 1 1162 119 119 SER CA C 60.13 0.20 1 1163 119 119 SER CB C 63.02 0.20 1 1164 119 119 SER N N 113.66 0.20 1 1165 120 120 ILE H H 8.62 0.03 1 1166 120 120 ILE HA H 3.50 0.03 1 1167 120 120 ILE HB H 2.11 0.03 1 1168 120 120 ILE HG12 H 1.77 0.03 2 1169 120 120 ILE HG13 H 1.77 0.03 2 1170 120 120 ILE HG2 H 1.01 0.03 1 1171 120 120 ILE HD1 H 0.42 0.03 1 1172 120 120 ILE C C 177.68 0.20 1 1173 120 120 ILE CA C 67.30 0.20 1 1174 120 120 ILE CB C 38.56 0.20 1 1175 120 120 ILE CG1 C 30.75 0.20 1 1176 120 120 ILE CG2 C 16.56 0.20 1 1177 120 120 ILE CD1 C 13.73 0.20 1 1178 120 120 ILE N N 121.40 0.20 1 1179 121 121 ALA H H 9.08 0.03 1 1180 121 121 ALA HA H 4.10 0.03 1 1181 121 121 ALA HB H 1.86 0.03 1 1182 121 121 ALA C C 180.52 0.20 1 1183 121 121 ALA CA C 55.74 0.20 1 1184 121 121 ALA CB C 18.26 0.20 1 1185 121 121 ALA N N 120.10 0.20 1 1186 122 122 GLU H H 8.23 0.03 1 1187 122 122 GLU HA H 4.16 0.03 1 1188 122 122 GLU HB2 H 2.29 0.03 2 1189 122 122 GLU HB3 H 2.36 0.03 2 1190 122 122 GLU HG2 H 2.36 0.03 2 1191 122 122 GLU HG3 H 2.45 0.03 2 1192 122 122 GLU C C 179.69 0.20 1 1193 122 122 GLU CA C 59.68 0.20 1 1194 122 122 GLU CB C 29.41 0.20 1 1195 122 122 GLU CG C 36.48 0.20 1 1196 122 122 GLU N N 120.22 0.20 1 1197 123 123 CYS H H 8.23 0.03 1 1198 123 123 CYS HA H 4.10 0.03 1 1199 123 123 CYS HB2 H 2.30 0.03 2 1200 123 123 CYS HB3 H 3.29 0.03 2 1201 123 123 CYS C C 175.93 0.20 1 1202 123 123 CYS CA C 64.52 0.20 1 1203 123 123 CYS CB C 26.70 0.20 1 1204 123 123 CYS N N 118.62 0.20 1 1205 124 124 LEU H H 8.25 0.03 1 1206 124 124 LEU HA H 4.19 0.03 1 1207 124 124 LEU HB2 H 1.66 0.03 2 1208 124 124 LEU HB3 H 1.75 0.03 2 1209 124 124 LEU HG H 1.96 0.03 1 1210 124 124 LEU HD1 H 0.89 0.03 2 1211 124 124 LEU HD2 H 0.89 0.03 2 1212 124 124 LEU C C 179.20 0.20 1 1213 124 124 LEU CA C 56.95 0.20 1 1214 124 124 LEU CB C 41.17 0.20 1 1215 124 124 LEU CG C 27.66 0.20 1 1216 124 124 LEU CD1 C 25.59 0.20 2 1217 124 124 LEU CD2 C 22.96 0.20 2 1218 124 124 LEU N N 117.69 0.20 1 1219 125 125 SER H H 7.88 0.03 1 1220 125 125 SER HA H 4.26 0.03 1 1221 125 125 SER HB2 H 3.99 0.03 2 1222 125 125 SER HB3 H 3.99 0.03 2 1223 125 125 SER C C 176.00 0.20 1 1224 125 125 SER CA C 60.91 0.20 1 1225 125 125 SER CB C 63.19 0.20 1 1226 125 125 SER N N 113.77 0.20 1 1227 126 126 MET H H 7.71 0.03 1 1228 126 126 MET HA H 4.25 0.03 1 1229 126 126 MET HB2 H 2.13 0.03 2 1230 126 126 MET HB3 H 2.13 0.03 2 1231 126 126 MET HG2 H 2.80 0.03 2 1232 126 126 MET HG3 H 2.80 0.03 2 1233 126 126 MET C C 176.45 0.20 1 1234 126 126 MET CA C 57.61 0.20 1 1235 126 126 MET CB C 33.91 0.20 1 1236 126 126 MET CG C 32.42 0.20 1 1237 126 126 MET N N 119.82 0.20 1 1238 127 127 LYS H H 8.29 0.03 1 1239 127 127 LYS HA H 4.58 0.03 1 1240 127 127 LYS HB2 H 1.85 0.03 2 1241 127 127 LYS HB3 H 1.92 0.03 2 1242 127 127 LYS HG2 H 1.33 0.03 2 1243 127 127 LYS HG3 H 1.44 0.03 2 1244 127 127 LYS HD2 H 1.66 0.03 2 1245 127 127 LYS HD3 H 1.72 0.03 2 1246 127 127 LYS HE2 H 3.00 0.03 2 1247 127 127 LYS HE3 H 3.00 0.03 2 1248 127 127 LYS CA C 54.32 0.20 1 1249 127 127 LYS CB C 33.94 0.20 1 1250 127 127 LYS CG C 24.94 0.20 1 1251 127 127 LYS CD C 28.82 0.20 1 1252 127 127 LYS CE C 41.89 0.20 1 1253 127 127 LYS N N 121.88 0.20 1 1254 128 128 PRO HA H 4.86 0.03 1 1255 128 128 PRO HB2 H 2.02 0.03 2 1256 128 128 PRO HB3 H 2.46 0.03 2 1257 128 128 PRO HG2 H 1.96 0.03 2 1258 128 128 PRO HG3 H 1.96 0.03 2 1259 128 128 PRO HD2 H 3.38 0.03 2 1260 128 128 PRO HD3 H 3.80 0.03 2 1261 128 128 PRO C C 177.12 0.20 1 1262 128 128 PRO CA C 63.81 0.20 1 1263 128 128 PRO CB C 32.18 0.20 1 1264 128 128 PRO CG C 27.06 0.20 1 1265 128 128 PRO CD C 50.53 0.20 1 1266 129 129 ASP H H 8.01 0.03 1 1267 129 129 ASP HA H 4.70 0.03 1 1268 129 129 ASP HB2 H 2.51 0.03 2 1269 129 129 ASP HB3 H 2.98 0.03 2 1270 129 129 ASP C C 177.20 0.20 1 1271 129 129 ASP CA C 52.95 0.20 1 1272 129 129 ASP CB C 38.15 0.20 1 1273 129 129 ASP N N 115.27 0.20 1 1274 130 130 ILE H H 7.26 0.03 1 1275 130 130 ILE HA H 4.76 0.03 1 1276 130 130 ILE HB H 1.80 0.03 1 1277 130 130 ILE HG12 H 1.87 0.03 2 1278 130 130 ILE HG13 H 0.48 0.03 2 1279 130 130 ILE HG2 H 0.69 0.03 1 1280 130 130 ILE HD1 H 0.88 0.03 1 1281 130 130 ILE C C 175.61 0.20 1 1282 130 130 ILE CA C 62.53 0.20 1 1283 130 130 ILE CB C 39.14 0.20 1 1284 130 130 ILE CG1 C 28.51 0.20 1 1285 130 130 ILE CG2 C 18.37 0.20 1 1286 130 130 ILE CD1 C 15.18 0.20 1 1287 130 130 ILE N N 120.72 0.20 1 1288 131 131 THR H H 8.94 0.03 1 1289 131 131 THR HA H 4.56 0.03 1 1290 131 131 THR HB H 3.98 0.03 1 1291 131 131 THR HG2 H 1.23 0.03 1 1292 131 131 THR C C 172.48 0.20 1 1293 131 131 THR CA C 61.60 0.20 1 1294 131 131 THR CB C 71.31 0.20 1 1295 131 131 THR CG2 C 21.72 0.02 1 1296 131 131 THR N N 124.50 0.20 1 1297 132 132 ILE H H 9.32 0.03 1 1298 132 132 ILE HA H 5.03 0.03 1 1299 132 132 ILE HB H 1.61 0.03 1 1300 132 132 ILE HG12 H 1.51 0.03 2 1301 132 132 ILE HG13 H 1.51 0.03 2 1302 132 132 ILE HG2 H 0.68 0.03 1 1303 132 132 ILE HD1 H 0.68 0.03 1 1304 132 132 ILE C C 175.15 0.20 1 1305 132 132 ILE CA C 60.22 0.20 1 1306 132 132 ILE CB C 39.01 0.20 1 1307 132 132 ILE CG1 C 27.78 0.20 1 1308 132 132 ILE CG2 C 16.84 0.20 1 1309 132 132 ILE CD1 C 13.80 0.20 1 1310 132 132 ILE N N 128.02 0.20 1 1311 133 133 GLN H H 9.35 0.03 1 1312 133 133 GLN HA H 4.76 0.03 1 1313 133 133 GLN HB2 H 1.76 0.03 2 1314 133 133 GLN HB3 H 1.85 0.03 2 1315 133 133 GLN HG2 H 2.24 0.03 2 1316 133 133 GLN HG3 H 2.24 0.03 2 1317 133 133 GLN C C 173.02 0.20 1 1318 133 133 GLN CA C 54.14 0.20 1 1319 133 133 GLN CB C 34.81 0.20 1 1320 133 133 GLN CG C 34.81 0.20 1 1321 133 133 GLN N N 128.87 0.20 1 1322 134 134 HIS H H 8.76 0.03 1 1323 134 134 HIS HA H 5.24 0.03 1 1324 134 134 HIS HB2 H 2.92 0.03 2 1325 134 134 HIS HB3 H 3.03 0.03 2 1326 134 134 HIS HD2 H 6.82 0.03 1 1327 134 134 HIS HE1 H 7.88 0.03 1 1328 134 134 HIS C C 175.75 0.20 1 1329 134 134 HIS CA C 55.37 0.20 1 1330 134 134 HIS CB C 32.72 0.20 1 1331 134 134 HIS CD2 C 119.50 0.20 1 1332 134 134 HIS N N 123.75 0.20 1 1333 135 135 GLU H H 7.92 0.03 1 1334 135 135 GLU HA H 4.22 0.03 1 1335 135 135 GLU HB2 H 1.73 0.03 2 1336 135 135 GLU HB3 H 1.73 0.03 2 1337 135 135 GLU HG2 H 2.09 0.03 2 1338 135 135 GLU HG3 H 2.09 0.03 2 1339 135 135 GLU C C 174.82 0.20 1 1340 135 135 GLU CA C 56.14 0.20 1 1341 135 135 GLU CB C 31.23 0.20 1 1342 135 135 GLU CG C 36.04 0.20 1 1343 135 135 GLU N N 127.93 0.20 1 1344 136 136 LYS H H 8.37 0.03 1 1345 136 136 LYS HA H 4.22 0.03 1 1346 136 136 LYS HB2 H 1.88 0.03 2 1347 136 136 LYS HB3 H 1.88 0.03 2 1348 136 136 LYS HG2 H 1.54 0.03 2 1349 136 136 LYS HG3 H 1.54 0.03 2 1350 136 136 LYS HD2 H 1.78 0.03 2 1351 136 136 LYS HD3 H 1.78 0.03 2 1352 136 136 LYS HE2 H 3.09 0.03 2 1353 136 136 LYS HE3 H 3.09 0.03 2 1354 136 136 LYS C C 177.44 0.20 1 1355 136 136 LYS CA C 56.80 0.20 1 1356 136 136 LYS CB C 33.13 0.20 1 1357 136 136 LYS CG C 25.10 0.20 1 1358 136 136 LYS CD C 29.32 0.20 1 1359 136 136 LYS CE C 41.89 0.20 1 1360 136 136 LYS N N 122.48 0.20 1 1361 137 137 GLY H H 8.66 0.03 1 1362 137 137 GLY HA2 H 3.94 0.03 2 1363 137 137 GLY HA3 H 3.94 0.03 2 1364 137 137 GLY C C 173.69 0.20 1 1365 137 137 GLY CA C 45.48 0.20 1 1366 137 137 GLY N N 109.99 0.20 1 1367 138 138 HIS H H 8.06 0.03 1 1368 138 138 HIS CA C 56.18 0.20 1 1369 138 138 HIS CB C 31.52 0.20 1 1370 138 138 HIS N N 119.74 0.20 1 1371 142 142 ASN HA H 4.78 0.03 1 1372 142 142 ASN HB2 H 2.86 0.03 2 1373 142 142 ASN HB3 H 2.96 0.03 2 1374 142 142 ASN C C 175.18 0.20 1 1375 142 142 ASN CA C 53.51 0.20 1 1376 142 142 ASN CB C 38.76 0.20 1 1377 143 143 THR H H 8.09 0.03 1 1378 143 143 THR HA H 4.34 0.03 1 1379 143 143 THR HB H 4.30 0.03 1 1380 143 143 THR CA C 62.31 0.20 1 1381 143 143 THR CB C 69.60 0.20 1 1382 143 143 THR CG2 C 21.57 0.20 1 1383 143 143 THR N N 113.47 0.20 1 1384 145 145 ILE HA H 4.10 0.03 1 1385 145 145 ILE HB H 1.70 0.03 1 1386 145 145 ILE HG12 H 1.02 0.03 2 1387 145 145 ILE HG13 H 1.13 0.03 2 1388 145 145 ILE HG2 H 0.48 0.03 1 1389 145 145 ILE HD1 H 0.71 0.03 1 1390 145 145 ILE C C 175.88 0.20 1 1391 145 145 ILE CA C 62.91 0.20 1 1392 145 145 ILE CB C 38.22 0.20 1 1393 145 145 ILE CG1 C 27.57 0.20 1 1394 145 145 ILE CG2 C 16.19 0.20 1 1395 145 145 ILE CD1 C 14.09 0.20 1 1396 146 146 HIS H H 7.82 0.03 1 1397 146 146 HIS HA H 4.78 0.03 1 1398 146 146 HIS HB2 H 3.02 0.03 2 1399 146 146 HIS HB3 H 3.02 0.03 2 1400 146 146 HIS HD2 H 6.91 0.03 1 1401 146 146 HIS HE1 H 7.61 0.03 1 1402 146 146 HIS C C 175.08 0.20 1 1403 146 146 HIS CA C 56.79 0.20 1 1404 146 146 HIS CB C 31.61 0.20 1 1405 146 146 HIS CD2 C 118.33 0.20 1 1406 146 146 HIS N N 117.84 0.20 1 1407 147 147 THR H H 7.59 0.03 1 1408 147 147 THR HA H 3.88 0.03 1 1409 147 147 THR HG2 H 1.22 0.03 1 1410 147 147 THR CA C 66.83 0.20 1 1411 147 147 THR CB C 69.06 0.20 1 1412 147 147 THR CG2 C 21.50 0.02 1 1413 147 147 THR N N 115.43 0.20 1 1414 148 148 GLU HA H 3.87 0.03 1 1415 148 148 GLU HB2 H 1.61 0.03 2 1416 148 148 GLU HB3 H 1.69 0.03 2 1417 148 148 GLU HG2 H 2.09 0.03 2 1418 148 148 GLU HG3 H 2.16 0.03 2 1419 148 148 GLU C C 179.47 0.20 1 1420 148 148 GLU CA C 59.82 0.20 1 1421 148 148 GLU CB C 28.66 0.20 1 1422 148 148 GLU CG C 36.40 0.20 1 1423 149 149 GLY H H 8.42 0.03 1 1424 149 149 GLY HA2 H 1.85 0.03 2 1425 149 149 GLY HA3 H 3.31 0.03 2 1426 149 149 GLY C C 175.47 0.20 1 1427 149 149 GLY CA C 46.58 0.20 1 1428 149 149 GLY N N 111.39 0.20 1 1429 150 150 ASN H H 7.89 0.03 1 1430 150 150 ASN HA H 4.64 0.03 1 1431 150 150 ASN HB2 H 2.70 0.03 2 1432 150 150 ASN HB3 H 2.70 0.03 2 1433 150 150 ASN C C 178.58 0.20 1 1434 150 150 ASN CA C 55.72 0.20 1 1435 150 150 ASN CB C 38.54 0.20 1 1436 150 150 ASN N N 118.92 0.20 1 1437 151 151 ALA H H 8.19 0.03 1 1438 151 151 ALA HA H 4.08 0.03 1 1439 151 151 ALA HB H 1.44 0.03 1 1440 151 151 ALA C C 180.62 0.20 1 1441 151 151 ALA CA C 54.75 0.20 1 1442 151 151 ALA CB C 17.88 0.20 1 1443 151 151 ALA N N 122.79 0.20 1 1444 152 152 LEU H H 7.94 0.03 1 1445 152 152 LEU HA H 4.31 0.03 1 1446 152 152 LEU HB2 H 1.57 0.03 2 1447 152 152 LEU HB3 H 1.57 0.03 2 1448 152 152 LEU HD1 H 0.97 0.03 2 1449 152 152 LEU HD2 H 0.97 0.03 2 1450 152 152 LEU C C 177.81 0.20 1 1451 152 152 LEU CA C 57.40 0.20 1 1452 152 152 LEU CB C 40.70 0.20 1 1453 152 152 LEU CG C 25.72 0.20 1 1454 152 152 LEU CD1 C 21.88 0.20 2 1455 152 152 LEU CD2 C 21.88 0.20 2 1456 152 152 LEU N N 121.45 0.20 1 1457 153 153 ALA H H 8.26 0.03 1 1458 153 153 ALA HA H 3.72 0.03 1 1459 153 153 ALA HB H 1.37 0.03 1 1460 153 153 ALA CA C 56.72 0.20 1 1461 153 153 ALA CB C 17.17 0.20 1 1462 153 153 ALA N N 122.01 0.20 1 1463 154 154 ASP H H 7.66 0.03 1 1464 154 154 ASP HA H 4.63 0.03 1 1465 154 154 ASP HB2 H 3.53 0.03 2 1466 154 154 ASP HB3 H 3.53 0.03 2 1467 154 154 ASP CA C 57.11 0.20 1 1468 154 154 ASP CB C 42.45 0.20 1 1469 154 154 ASP N N 116.88 0.20 1 1470 155 155 LYS H H 8.07 0.03 1 1471 155 155 LYS HA H 4.00 0.03 1 1472 155 155 LYS HB2 H 2.06 0.03 2 1473 155 155 LYS HB3 H 2.06 0.03 2 1474 155 155 LYS HG2 H 1.35 0.03 2 1475 155 155 LYS HG3 H 1.35 0.03 2 1476 155 155 LYS HD2 H 1.67 0.03 2 1477 155 155 LYS HD3 H 1.67 0.03 2 1478 155 155 LYS HE2 H 2.94 0.03 2 1479 155 155 LYS HE3 H 2.94 0.03 2 1480 155 155 LYS C C 179.49 0.20 1 1481 155 155 LYS CA C 59.75 0.20 1 1482 155 155 LYS CB C 32.46 0.20 1 1483 155 155 LYS CG C 24.97 0.20 1 1484 155 155 LYS CD C 29.83 0.20 1 1485 155 155 LYS CE C 41.75 0.20 1 1486 155 155 LYS N N 122.79 0.20 1 1487 156 156 LEU H H 8.70 0.03 1 1488 156 156 LEU HA H 4.06 0.03 1 1489 156 156 LEU HB2 H 1.61 0.03 2 1490 156 156 LEU HB3 H 1.98 0.03 2 1491 156 156 LEU HD1 H 0.85 0.03 2 1492 156 156 LEU HD2 H 0.85 0.03 2 1493 156 156 LEU C C 180.16 0.20 1 1494 156 156 LEU CA C 57.42 0.20 1 1495 156 156 LEU CB C 41.63 0.20 1 1496 156 156 LEU CG C 27.64 0.20 1 1497 156 156 LEU CD1 C 21.55 0.20 2 1498 156 156 LEU CD2 C 21.55 0.20 2 1499 156 156 LEU N N 119.18 0.20 1 1500 157 157 ALA H H 8.56 0.03 1 1501 157 157 ALA HA H 3.59 0.03 1 1502 157 157 ALA HB H 1.41 0.03 1 1503 157 157 ALA C C 179.24 0.20 1 1504 157 157 ALA CA C 55.87 0.20 1 1505 157 157 ALA CB C 18.93 0.20 1 1506 157 157 ALA N N 125.87 0.20 1 1507 158 158 THR H H 8.20 0.03 1 1508 158 158 THR HA H 4.27 0.03 1 1509 158 158 THR HB H 3.77 0.03 1 1510 158 158 THR C C 177.30 0.20 1 1511 158 158 THR CA C 65.98 0.20 1 1512 158 158 THR CB C 68.67 0.20 1 1513 158 158 THR CG2 C 21.55 0.02 1 1514 158 158 THR N N 114.66 0.20 1 1515 159 159 GLN H H 8.37 0.03 1 1516 159 159 GLN HA H 3.95 0.03 1 1517 159 159 GLN HB2 H 2.06 0.03 2 1518 159 159 GLN HB3 H 2.13 0.03 2 1519 159 159 GLN HG2 H 2.36 0.03 2 1520 159 159 GLN HG3 H 2.52 0.03 2 1521 159 159 GLN C C 178.86 0.20 1 1522 159 159 GLN CA C 58.87 0.20 1 1523 159 159 GLN CB C 28.45 0.20 1 1524 159 159 GLN CG C 34.22 0.20 1 1525 159 159 GLN N N 120.79 0.20 1 1526 160 160 GLY H H 7.78 0.03 1 1527 160 160 GLY HA2 H 3.26 0.03 2 1528 160 160 GLY HA3 H 3.83 0.03 2 1529 160 160 GLY C C 173.98 0.20 1 1530 160 160 GLY CA C 46.55 0.20 1 1531 160 160 GLY N N 106.60 0.20 1 1532 161 161 SER H H 7.64 0.03 1 1533 161 161 SER HA H 4.02 0.03 1 1534 161 161 SER HB2 H 3.61 0.03 2 1535 161 161 SER HB3 H 3.86 0.03 2 1536 161 161 SER C C 173.80 0.20 1 1537 161 161 SER CA C 60.17 0.20 1 1538 161 161 SER CB C 63.52 0.20 1 1539 161 161 SER N N 115.05 0.20 1 1540 162 162 TYR H H 7.32 0.03 1 1541 162 162 TYR HA H 4.53 0.03 1 1542 162 162 TYR HB2 H 2.91 0.03 2 1543 162 162 TYR HB3 H 3.22 0.03 2 1544 162 162 TYR HD1 H 7.17 0.03 1 1545 162 162 TYR HD2 H 7.17 0.03 1 1546 162 162 TYR HE1 H 6.74 0.03 1 1547 162 162 TYR HE2 H 6.74 0.03 1 1548 162 162 TYR C C 175.99 0.20 1 1549 162 162 TYR CA C 57.97 0.20 1 1550 162 162 TYR CB C 38.71 0.20 1 1551 162 162 TYR N N 119.02 0.20 1 1552 163 163 VAL H H 7.51 0.03 1 1553 163 163 VAL HA H 4.03 0.03 1 1554 163 163 VAL HB H 2.12 0.03 1 1555 163 163 VAL HG1 H 1.06 0.03 2 1556 163 163 VAL HG2 H 0.96 0.03 2 1557 163 163 VAL C C 175.54 0.20 1 1558 163 163 VAL CA C 63.09 0.20 1 1559 163 163 VAL CB C 32.36 0.20 1 1560 163 163 VAL CG1 C 21.44 0.20 2 1561 163 163 VAL CG2 C 21.44 0.20 2 1562 163 163 VAL N N 121.81 0.20 1 1563 164 164 VAL H H 8.16 0.03 1 1564 164 164 VAL HA H 4.16 0.03 1 1565 164 164 VAL HB H 2.11 0.03 1 1566 164 164 VAL HG1 H 1.07 0.03 2 1567 164 164 VAL HG2 H 0.98 0.03 2 1568 164 164 VAL C C 175.11 0.20 1 1569 164 164 VAL CA C 62.23 0.20 1 1570 164 164 VAL CB C 32.80 0.20 1 1571 164 164 VAL CG1 C 21.09 0.20 2 1572 164 164 VAL CG2 C 21.09 0.20 2 1573 164 164 VAL N N 124.89 0.20 1 1574 165 165 ASN H H 8.05 0.03 1 1575 165 165 ASN HA H 4.51 0.03 1 1576 165 165 ASN HB2 H 2.68 0.03 2 1577 165 165 ASN HB3 H 2.77 0.03 2 1578 165 165 ASN CA C 54.81 0.20 1 1579 165 165 ASN CB C 40.67 0.20 1 1580 165 165 ASN N N 128.37 0.20 1 stop_ save_