data_7007 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Solution structure of At5g39720.1 from Arabidopsis thaliana ; _BMRB_accession_number 7007 _BMRB_flat_file_name bmr7007.str _Entry_type new _Submission_date 2006-02-28 _Accession_date 2006-02-28 _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 Volkman B. F. . 2 Peterson F. C. . 3 Lytle B. L. . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 846 "13C chemical shifts" 660 "15N chemical shifts" 162 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2009-06-29 update BMRB 'added time domain data' 2007-01-04 update author 'update the entry citation' 2006-03-10 original author 'original release' stop_ save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title ; Solution structure of Arabidopsis thaliana protein At5g39720.1, a member of the AIG2-like protein family ; _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 16754964 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Lytle B. L. . 2 Peterson F. C. . 3 Tyler E. . . 4 Newman C. L. . 5 Vinarov D. . . 6 Markley J. L. . 7 Volkman B. F. . stop_ _Journal_abbreviation 'Acta Crystallograph Sect. F Struct. Biol. Cryst. Commun.' _Journal_volume 62 _Journal_issue 'Pt. 6' _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 490 _Page_last 493 _Year 2006 _Details . loop_ _Keyword At5g39720.1 'Structural Genomics' 'Protein Structure Initiative' PSI 'Center for Eukaryotic Structural Genomics' CESG stop_ save_ ################################## # Molecular system description # ################################## save_system_AT5G39720 _Saveframe_category molecular_system _Mol_system_name AT5G39720.1 _Abbreviation_common AT5G39720.1 _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label 'AT5G39720.1 protein' $AT5G39720 stop_ _System_molecular_weight . _System_physical_state native _System_oligomer_state monomer _System_paramagnetic no _System_thiol_state 'all free' _Database_query_date . _Details . save_ ######################## # Monomeric polymers # ######################## save_AT5G39720 _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common AT5G39720 _Abbreviation_common AT5G39720 _Molecular_mass . _Mol_thiol_state 'all free' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 173 _Mol_residue_sequence ; GHHHHHHLECSSDSLQLHNV FVYGSFQDPDVINVMLDRTP EIVSATLPGFQRFRLKGRLY PCIVPSEKGEVHGKVLMGVT SDELENLDAVEGNEYERVTV GIVREDNSEKMAVKTYMWIN KADPDMFGEWNFEEWKRLHK KKFIETFKKIMECKKKPQGQ GNDDISHVLREDQ ; loop_ _Residue_seq_code _Residue_label 1 GLY 2 HIS 3 HIS 4 HIS 5 HIS 6 HIS 7 HIS 8 LEU 9 GLU 10 CYS 11 SER 12 SER 13 ASP 14 SER 15 LEU 16 GLN 17 LEU 18 HIS 19 ASN 20 VAL 21 PHE 22 VAL 23 TYR 24 GLY 25 SER 26 PHE 27 GLN 28 ASP 29 PRO 30 ASP 31 VAL 32 ILE 33 ASN 34 VAL 35 MET 36 LEU 37 ASP 38 ARG 39 THR 40 PRO 41 GLU 42 ILE 43 VAL 44 SER 45 ALA 46 THR 47 LEU 48 PRO 49 GLY 50 PHE 51 GLN 52 ARG 53 PHE 54 ARG 55 LEU 56 LYS 57 GLY 58 ARG 59 LEU 60 TYR 61 PRO 62 CYS 63 ILE 64 VAL 65 PRO 66 SER 67 GLU 68 LYS 69 GLY 70 GLU 71 VAL 72 HIS 73 GLY 74 LYS 75 VAL 76 LEU 77 MET 78 GLY 79 VAL 80 THR 81 SER 82 ASP 83 GLU 84 LEU 85 GLU 86 ASN 87 LEU 88 ASP 89 ALA 90 VAL 91 GLU 92 GLY 93 ASN 94 GLU 95 TYR 96 GLU 97 ARG 98 VAL 99 THR 100 VAL 101 GLY 102 ILE 103 VAL 104 ARG 105 GLU 106 ASP 107 ASN 108 SER 109 GLU 110 LYS 111 MET 112 ALA 113 VAL 114 LYS 115 THR 116 TYR 117 MET 118 TRP 119 ILE 120 ASN 121 LYS 122 ALA 123 ASP 124 PRO 125 ASP 126 MET 127 PHE 128 GLY 129 GLU 130 TRP 131 ASN 132 PHE 133 GLU 134 GLU 135 TRP 136 LYS 137 ARG 138 LEU 139 HIS 140 LYS 141 LYS 142 LYS 143 PHE 144 ILE 145 GLU 146 THR 147 PHE 148 LYS 149 LYS 150 ILE 151 MET 152 GLU 153 CYS 154 LYS 155 LYS 156 LYS 157 PRO 158 GLN 159 GLY 160 GLN 161 GLY 162 ASN 163 ASP 164 ASP 165 ILE 166 SER 167 HIS 168 VAL 169 LEU 170 ARG 171 GLU 172 ASP 173 GLN stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2015-01-28 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 2G0Q "Solution Structure Of At5g39720.1 From Arabidopsis Thaliana" 100.00 173 100.00 100.00 2.44e-125 DBJ BAB11378 "AIG2-like protein [Arabidopsis thaliana]" 94.80 165 100.00 100.00 8.42e-118 GB AAX49363 "At5g39720 [Arabidopsis thaliana]" 90.75 158 98.73 100.00 2.06e-111 GB ABN04775 "At5g39720 [Arabidopsis thaliana]" 94.80 165 100.00 100.00 8.42e-118 GB AED94467 "avirulence induced protein 2 like protein [Arabidopsis thaliana]" 94.80 165 100.00 100.00 8.42e-118 REF NP_198788 "avirulence induced protein 2 like protein [Arabidopsis thaliana]" 94.80 165 100.00 100.00 8.42e-118 SP Q9FIX2 "RecName: Full=AIG2-like protein; AltName: Full=Putative gamma-glutamylcyclotransferase [Arabidopsis thaliana]" 94.80 165 100.00 100.00 8.42e-118 stop_ save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species $AT5G39720 'Thale cress' 3702 Eukaryota Viridiplantae Arabidopsis thaliana 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 $AT5G39720 'cell free synthesis' . . . . . 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 $AT5G39720 0.9 mM '[U-15N; U-13C]' 'deuterated Bis-Tris' 10 mM . NaCl 100 mM . Dithiothreitol 5 mM . H2O 95 % . D2O 5 % . stop_ save_ ############################ # Computer software used # ############################ save_XPLOR-NIH _Saveframe_category software _Name XPLOR-NIH _Version 2.9.3 loop_ _Task refinement stop_ _Details 'SCHWIETERS, C.D.,KUSZEWSKI, J.J.,TJANDRA, N., CLORE, G.M.' save_ save_XWINNMR _Saveframe_category software _Name XWINNMR _Version 3.5 _Details . save_ save_NMRPipe _Saveframe_category software _Name NMRPipe _Version 2004 _Details . save_ save_SPSCAN _Saveframe_category software _Name SPSCAN _Version 1.1.0 _Details . save_ save_XEASY _Saveframe_category software _Name XEASY _Version 1.3 _Details . save_ save_GARANT _Saveframe_category software _Name GARANT _Version 2.1 _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model DRX _Field_strength 600 _Details . save_ ############################# # NMR applied experiments # ############################# save_3D_15N-separated_NOESY_1 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 15N-separated NOESY' _Sample_label . save_ save_3D_13C-separated_NOESY_2 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 13C-separated NOESY' _Sample_label . save_ save_3D_13C-separated_NOESY_(AROMATIC)_3 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 13C-separated NOESY (AROMATIC)' _Sample_label . save_ save_NMR_spectrometer_expt_1 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 15N-separated NOESY' _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spectrometer_expt_2 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 13C-separated NOESY' _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spectrometer_expt_3 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 13C-separated NOESY (AROMATIC)' _BMRB_pulse_sequence_accession_number . _Details . save_ ####################### # Sample conditions # ####################### save_sample_cond_1 _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units pH 7.0 . pH temperature 298 . K 'ionic strength' 101 . mM pressure 1 . atm stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference _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 H 1 'methyl protons' ppm . direct external . . . 1.000000000 DSS C 13 'methyl protons' ppm . indirect external . . . 0.251449530 DSS N 15 'methyl protons' ppm . indirect external . . . 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_chemical_shift_set_1 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Sample_label $sample_1 stop_ _Sample_conditions_label $sample_cond_1 _Chem_shift_reference_set_label $chemical_shift_reference _Mol_system_component_name 'AT5G39720.1 protein' _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 . 5 HIS N N 117.759 0.1 1 2 . 5 HIS H H 8.647 0.02 1 3 . 7 HIS CA C 56.695 0.1 1 4 . 7 HIS HA H 4.602 0.02 1 5 . 7 HIS CB C 30.747 0.1 1 6 . 7 HIS HB3 H 3.109 0.02 2 7 . 7 HIS C C 175.145 0.1 1 8 . 8 LEU N N 123.596 0.1 1 9 . 8 LEU H H 8.248 0.02 1 10 . 8 LEU CA C 55.335 0.1 1 11 . 8 LEU HA H 4.303 0.02 1 12 . 8 LEU CB C 42.507 0.1 1 13 . 8 LEU HB3 H 1.586 0.02 2 14 . 8 LEU CG C 27.123 0.1 1 15 . 8 LEU HG H 1.417 0.02 1 16 . 8 LEU HD1 H 0.808 0.02 2 17 . 8 LEU HD2 H 0.859 0.02 2 18 . 8 LEU CD1 C 23.839 0.1 1 19 . 8 LEU CD2 C 25.466 0.1 1 20 . 8 LEU C C 177.280 0.1 1 21 . 9 GLU N N 121.913 0.1 1 22 . 9 GLU H H 8.462 0.02 1 23 . 9 GLU CA C 57.169 0.1 1 24 . 9 GLU HA H 4.274 0.02 1 25 . 9 GLU CB C 30.470 0.1 1 26 . 9 GLU HB2 H 2.062 0.02 2 27 . 9 GLU HB3 H 1.947 0.02 2 28 . 9 GLU CG C 36.591 0.1 1 29 . 9 GLU HG3 H 2.283 0.02 2 30 . 9 GLU C C 176.490 0.1 1 31 . 10 CYS N N 120.157 0.1 1 32 . 10 CYS H H 8.375 0.02 1 33 . 10 CYS CA C 58.556 0.1 1 34 . 10 CYS HA H 4.554 0.02 1 35 . 10 CYS CB C 28.711 0.1 1 36 . 10 CYS HB2 H 3.017 0.02 2 37 . 10 CYS HB3 H 2.933 0.02 2 38 . 10 CYS C C 174.760 0.1 1 39 . 11 SER N N 118.749 0.1 1 40 . 11 SER H H 8.498 0.02 1 41 . 11 SER CA C 58.852 0.1 1 42 . 11 SER HA H 4.491 0.02 1 43 . 11 SER CB C 64.179 0.1 1 44 . 11 SER HB3 H 3.926 0.02 2 45 . 11 SER C C 175.031 0.1 1 46 . 12 SER H H 8.469 0.02 1 47 . 12 SER CA C 59.240 0.1 1 48 . 12 SER HA H 4.459 0.02 1 49 . 12 SER CB C 64.185 0.1 1 50 . 12 SER HB2 H 3.957 0.02 2 51 . 12 SER HB3 H 3.883 0.02 2 52 . 12 SER C C 174.802 0.1 1 53 . 13 ASP N N 122.391 0.1 1 54 . 13 ASP H H 8.339 0.02 1 55 . 13 ASP CA C 55.269 0.1 1 56 . 13 ASP HA H 4.625 0.02 1 57 . 13 ASP CB C 41.384 0.1 1 58 . 13 ASP HB3 H 2.709 0.02 2 59 . 13 ASP C C 176.840 0.1 1 60 . 14 SER N N 115.942 0.1 1 61 . 14 SER H H 8.188 0.02 1 62 . 14 SER CA C 59.381 0.1 1 63 . 14 SER HA H 4.413 0.02 1 64 . 14 SER CB C 63.879 0.1 1 65 . 14 SER HB3 H 3.895 0.02 2 66 . 14 SER C C 174.758 0.1 1 67 . 15 LEU N N 123.303 0.1 1 68 . 15 LEU H H 8.079 0.02 1 69 . 15 LEU CA C 55.587 0.1 1 70 . 15 LEU HA H 4.348 0.02 1 71 . 15 LEU CB C 42.534 0.1 1 72 . 15 LEU HB2 H 1.653 0.02 2 73 . 15 LEU HB3 H 1.571 0.02 2 74 . 15 LEU CG C 27.415 0.1 1 75 . 15 LEU HG H 1.581 0.02 1 76 . 15 LEU HD1 H 0.834 0.02 2 77 . 15 LEU HD2 H 0.904 0.02 2 78 . 15 LEU CD1 C 23.740 0.1 1 79 . 15 LEU CD2 C 25.415 0.1 1 80 . 15 LEU C C 176.999 0.1 1 81 . 16 GLN N N 120.783 0.1 1 82 . 16 GLN H H 8.081 0.02 1 83 . 16 GLN CA C 56.025 0.1 1 84 . 16 GLN HA H 4.233 0.02 1 85 . 16 GLN CB C 29.566 0.1 1 86 . 16 GLN HB2 H 1.918 0.02 2 87 . 16 GLN HB3 H 2.019 0.02 2 88 . 16 GLN CG C 34.104 0.1 1 89 . 16 GLN HG3 H 2.224 0.02 2 90 . 16 GLN C C 174.573 0.1 1 91 . 17 LEU N N 121.498 0.1 1 92 . 17 LEU H H 7.674 0.02 1 93 . 17 LEU CA C 53.707 0.1 1 94 . 17 LEU HA H 4.680 0.02 1 95 . 17 LEU CB C 45.166 0.1 1 96 . 17 LEU HB2 H 1.132 0.02 2 97 . 17 LEU HB3 H 1.581 0.02 2 98 . 17 LEU CG C 27.262 0.1 1 99 . 17 LEU HG H 1.498 0.02 1 100 . 17 LEU HD1 H 0.830 0.02 2 101 . 17 LEU HD2 H 0.702 0.02 2 102 . 17 LEU CD1 C 25.831 0.1 1 103 . 17 LEU CD2 C 23.642 0.1 1 104 . 17 LEU C C 176.469 0.1 1 105 . 18 HIS N N 120.238 0.1 1 106 . 18 HIS H H 9.376 0.02 1 107 . 18 HIS CA C 55.390 0.1 1 108 . 18 HIS HA H 4.648 0.02 1 109 . 18 HIS CB C 34.468 0.1 1 110 . 18 HIS HB3 H 2.617 0.02 2 111 . 18 HIS CD2 C 118.722 0.1 1 112 . 18 HIS CE1 C 138.375 0.1 1 113 . 18 HIS HD2 H 6.718 0.02 1 114 . 18 HIS HE1 H 7.549 0.02 1 115 . 18 HIS C C 173.780 0.1 1 116 . 19 ASN N N 121.104 0.1 1 117 . 19 ASN H H 8.773 0.02 1 118 . 19 ASN CA C 52.239 0.1 1 119 . 19 ASN HA H 6.046 0.02 1 120 . 19 ASN CB C 40.812 0.1 1 121 . 19 ASN HB2 H 2.476 0.02 2 122 . 19 ASN HB3 H 2.759 0.02 2 123 . 19 ASN ND2 N 114.626 0.1 1 124 . 19 ASN HD21 H 6.880 0.02 2 125 . 19 ASN HD22 H 7.740 0.02 2 126 . 19 ASN C C 175.234 0.1 1 127 . 20 VAL N N 123.888 0.1 1 128 . 20 VAL H H 8.959 0.02 1 129 . 20 VAL CA C 60.976 0.1 1 130 . 20 VAL HA H 4.993 0.02 1 131 . 20 VAL CB C 36.523 0.1 1 132 . 20 VAL HB H 1.873 0.02 1 133 . 20 VAL HG1 H 0.715 0.02 2 134 . 20 VAL HG2 H 0.767 0.02 2 135 . 20 VAL CG1 C 21.498 0.1 1 136 . 20 VAL CG2 C 20.527 0.1 1 137 . 20 VAL C C 175.135 0.1 1 138 . 21 PHE N N 128.618 0.1 1 139 . 21 PHE H H 9.751 0.02 1 140 . 21 PHE CA C 57.341 0.1 1 141 . 21 PHE HA H 5.305 0.02 1 142 . 21 PHE CB C 41.679 0.1 1 143 . 21 PHE HB2 H 2.784 0.02 2 144 . 21 PHE HB3 H 2.656 0.02 2 145 . 21 PHE CD1 C 132.198 0.1 1 146 . 21 PHE HD1 H 6.970 0.02 1 147 . 21 PHE CE1 C 130.755 0.1 1 148 . 21 PHE HE1 H 6.824 0.02 1 149 . 21 PHE HE2 H 6.824 0.02 1 150 . 21 PHE HD2 H 6.970 0.02 1 151 . 21 PHE C C 174.150 0.1 1 152 . 22 VAL N N 122.449 0.1 1 153 . 22 VAL H H 9.230 0.02 1 154 . 22 VAL CA C 59.023 0.1 1 155 . 22 VAL HA H 4.290 0.02 1 156 . 22 VAL CB C 35.273 0.1 1 157 . 22 VAL HB H 1.727 0.02 1 158 . 22 VAL HG1 H 0.444 0.02 2 159 . 22 VAL HG2 H 0.730 0.02 2 160 . 22 VAL CG1 C 17.290 0.1 1 161 . 22 VAL CG2 C 21.821 0.1 1 162 . 22 VAL C C 173.637 0.1 1 163 . 23 TYR N N 113.882 0.1 1 164 . 23 TYR H H 7.056 0.02 1 165 . 23 TYR CA C 56.110 0.1 1 166 . 23 TYR HA H 4.466 0.02 1 167 . 23 TYR CB C 38.954 0.1 1 168 . 23 TYR HB2 H 2.150 0.02 2 169 . 23 TYR HB3 H 3.126 0.02 2 170 . 23 TYR CD1 C 134.756 0.1 1 171 . 23 TYR HD1 H 6.655 0.02 1 172 . 23 TYR CE1 C 118.418 0.1 1 173 . 23 TYR HE1 H 6.158 0.02 1 174 . 23 TYR HE2 H 6.158 0.02 1 175 . 23 TYR HD2 H 6.655 0.02 1 176 . 23 TYR C C 174.221 0.1 1 177 . 25 SER C C 175.359 0.1 1 178 . 26 PHE N N 117.637 0.1 1 179 . 26 PHE H H 7.888 0.02 1 180 . 26 PHE CA C 57.920 0.1 1 181 . 26 PHE HA H 4.262 0.02 1 182 . 26 PHE CB C 37.026 0.1 1 183 . 26 PHE HB2 H 2.726 0.02 2 184 . 26 PHE HB3 H 3.165 0.02 2 185 . 26 PHE CD1 C 130.008 0.1 1 186 . 26 PHE HD1 H 6.900 0.02 1 187 . 26 PHE CE1 C 131.273 0.1 1 188 . 26 PHE HE1 H 6.792 0.02 1 189 . 26 PHE HE2 H 6.792 0.02 1 190 . 26 PHE HD2 H 6.900 0.02 1 191 . 26 PHE C C 173.128 0.1 1 192 . 27 GLN N N 110.185 0.1 1 193 . 27 GLN H H 6.971 0.02 1 194 . 27 GLN CA C 57.769 0.1 1 195 . 27 GLN HA H 3.649 0.02 1 196 . 27 GLN CB C 32.917 0.1 1 197 . 27 GLN HB2 H 1.607 0.02 1 198 . 27 GLN HB3 H 1.607 0.02 1 199 . 27 GLN CG C 36.364 0.1 1 200 . 27 GLN HG2 H 1.587 0.02 2 201 . 27 GLN HG3 H 1.898 0.02 2 202 . 27 GLN NE2 N 106.277 0.1 1 203 . 27 GLN HE21 H 6.556 0.02 2 204 . 27 GLN HE22 H 6.405 0.02 2 205 . 27 GLN C C 175.620 0.1 1 206 . 28 ASP N N 120.496 0.1 1 207 . 28 ASP H H 7.909 0.02 1 208 . 28 ASP CA C 51.902 0.1 1 209 . 28 ASP HA H 5.065 0.02 1 210 . 28 ASP CB C 44.457 0.1 1 211 . 28 ASP HB2 H 2.950 0.02 2 212 . 28 ASP HB3 H 3.454 0.02 2 213 . 28 ASP C C 174.794 0.1 1 214 . 29 PRO CD C 51.578 0.1 1 215 . 29 PRO CA C 65.255 0.1 1 216 . 29 PRO HA H 4.222 0.02 1 217 . 29 PRO CB C 32.958 0.1 1 218 . 29 PRO HB2 H 2.052 0.02 2 219 . 29 PRO HB3 H 2.311 0.02 2 220 . 29 PRO CG C 27.948 0.1 1 221 . 29 PRO HG2 H 2.034 0.02 2 222 . 29 PRO HG3 H 2.120 0.02 2 223 . 29 PRO HD2 H 3.933 0.02 2 224 . 29 PRO HD3 H 4.139 0.02 2 225 . 29 PRO C C 178.412 0.1 1 226 . 30 ASP N N 117.803 0.1 1 227 . 30 ASP H H 8.548 0.02 1 228 . 30 ASP CA C 57.822 0.1 1 229 . 30 ASP HA H 4.514 0.02 1 230 . 30 ASP CB C 41.287 0.1 1 231 . 30 ASP HB2 H 2.725 0.02 1 232 . 30 ASP HB3 H 2.725 0.02 1 233 . 30 ASP C C 179.039 0.1 1 234 . 31 VAL N N 121.607 0.1 1 235 . 31 VAL H H 8.262 0.02 1 236 . 31 VAL CA C 66.620 0.1 1 237 . 31 VAL HA H 3.691 0.02 1 238 . 31 VAL CB C 32.209 0.1 1 239 . 31 VAL HB H 2.675 0.02 1 240 . 31 VAL HG1 H 0.884 0.02 2 241 . 31 VAL HG2 H 1.435 0.02 2 242 . 31 VAL CG1 C 22.769 0.1 1 243 . 31 VAL CG2 C 23.136 0.1 1 244 . 31 VAL C C 178.152 0.1 1 245 . 32 ILE N N 118.148 0.1 1 246 . 32 ILE H H 8.176 0.02 1 247 . 32 ILE CA C 63.131 0.1 1 248 . 32 ILE HA H 3.778 0.02 1 249 . 32 ILE CB C 37.927 0.1 1 250 . 32 ILE HB H 2.014 0.02 1 251 . 32 ILE HG2 H 1.104 0.02 1 252 . 32 ILE CG2 C 19.879 0.1 1 253 . 32 ILE CG1 C 29.876 0.1 1 254 . 32 ILE HG12 H 1.204 0.02 2 255 . 32 ILE HG13 H 1.580 0.02 2 256 . 32 ILE HD1 H 0.694 0.02 1 257 . 32 ILE CD1 C 14.376 0.1 1 258 . 32 ILE C C 177.396 0.1 1 259 . 33 ASN N N 118.673 0.1 1 260 . 33 ASN H H 7.930 0.02 1 261 . 33 ASN CA C 57.226 0.1 1 262 . 33 ASN HA H 4.508 0.02 1 263 . 33 ASN CB C 40.326 0.1 1 264 . 33 ASN HB2 H 2.700 0.02 2 265 . 33 ASN HB3 H 2.944 0.02 2 266 . 33 ASN ND2 N 112.231 0.1 1 267 . 33 ASN HD21 H 6.930 0.02 2 268 . 33 ASN HD22 H 7.417 0.02 2 269 . 33 ASN C C 178.236 0.1 1 270 . 34 VAL N N 117.970 0.1 1 271 . 34 VAL H H 7.548 0.02 1 272 . 34 VAL CA C 65.692 0.1 1 273 . 34 VAL HA H 3.878 0.02 1 274 . 34 VAL CB C 31.875 0.1 1 275 . 34 VAL HB H 2.429 0.02 1 276 . 34 VAL HG1 H 1.291 0.02 2 277 . 34 VAL HG2 H 0.986 0.02 2 278 . 34 VAL CG1 C 23.740 0.1 1 279 . 34 VAL CG2 C 22.145 0.1 1 280 . 34 VAL C C 176.779 0.1 1 281 . 35 MET N N 116.392 0.1 1 282 . 35 MET H H 7.355 0.02 1 283 . 35 MET CA C 57.859 0.1 1 284 . 35 MET HA H 4.378 0.02 1 285 . 35 MET CB C 33.775 0.1 1 286 . 35 MET HB3 H 1.995 0.02 2 287 . 35 MET CG C 32.300 0.1 1 288 . 35 MET HG3 H 2.311 0.02 2 289 . 35 MET HE H 1.490 0.02 1 290 . 35 MET CE C 17.335 0.1 1 291 . 35 MET C C 177.083 0.1 1 292 . 36 LEU N N 114.038 0.1 1 293 . 36 LEU H H 8.329 0.02 1 294 . 36 LEU CA C 54.970 0.1 1 295 . 36 LEU HA H 4.497 0.02 1 296 . 36 LEU CB C 43.100 0.1 1 297 . 36 LEU HB2 H 1.655 0.02 2 298 . 36 LEU HB3 H 1.966 0.02 2 299 . 36 LEU CG C 27.173 0.1 1 300 . 36 LEU HG H 1.690 0.02 1 301 . 36 LEU HD2 H 0.730 0.02 2 302 . 36 LEU CD2 C 25.200 0.1 1 303 . 36 LEU C C 177.012 0.1 1 304 . 37 ASP N N 117.948 0.1 1 305 . 37 ASP H H 8.469 0.02 1 306 . 37 ASP CA C 56.252 0.1 1 307 . 37 ASP HA H 4.483 0.02 1 308 . 37 ASP CB C 40.644 0.1 1 309 . 37 ASP HB2 H 2.652 0.02 2 310 . 37 ASP HB3 H 3.061 0.02 2 311 . 37 ASP C C 173.983 0.1 1 312 . 38 ARG N N 111.619 0.1 1 313 . 38 ARG H H 7.559 0.02 1 314 . 38 ARG CA C 54.973 0.1 1 315 . 38 ARG HA H 4.477 0.02 1 316 . 38 ARG CB C 30.662 0.1 1 317 . 38 ARG HB2 H 1.709 0.02 2 318 . 38 ARG HB3 H 1.966 0.02 2 319 . 38 ARG CG C 26.329 0.1 1 320 . 38 ARG HG2 H 0.859 0.02 2 321 . 38 ARG HG3 H 1.403 0.02 2 322 . 38 ARG CD C 43.162 0.1 1 323 . 38 ARG HD2 H 3.008 0.02 2 324 . 38 ARG NE N 87.258 0.1 1 325 . 38 ARG HE H 9.417 0.02 1 326 . 38 ARG C C 173.414 0.1 1 327 . 39 THR N N 114.964 0.1 1 328 . 39 THR H H 8.631 0.02 1 329 . 39 THR CA C 59.347 0.1 1 330 . 39 THR HA H 4.843 0.02 1 331 . 39 THR CB C 70.005 0.1 1 332 . 39 THR HB H 4.072 0.02 1 333 . 39 THR HG2 H 1.295 0.02 1 334 . 39 THR CG2 C 22.145 0.1 1 335 . 39 THR C C 173.514 0.1 1 336 . 40 PRO CD C 51.481 0.1 1 337 . 40 PRO CA C 62.499 0.1 1 338 . 40 PRO HA H 4.641 0.02 1 339 . 40 PRO CB C 32.252 0.1 1 340 . 40 PRO HB3 H 2.165 0.02 2 341 . 40 PRO CG C 27.087 0.1 1 342 . 40 PRO HG2 H 1.613 0.02 2 343 . 40 PRO HG3 H 1.695 0.02 2 344 . 40 PRO HD2 H 3.619 0.02 2 345 . 40 PRO HD3 H 3.804 0.02 2 346 . 40 PRO C C 174.546 0.1 1 347 . 41 GLU N N 120.686 0.1 1 348 . 41 GLU H H 8.208 0.02 1 349 . 41 GLU CA C 57.969 0.1 1 350 . 41 GLU HA H 4.117 0.02 1 351 . 41 GLU CB C 30.128 0.1 1 352 . 41 GLU HB3 H 1.942 0.02 2 353 . 41 GLU CG C 36.777 0.1 1 354 . 41 GLU HG2 H 2.299 0.02 2 355 . 41 GLU HG3 H 2.163 0.02 2 356 . 41 GLU C C 175.094 0.1 1 357 . 42 ILE N N 123.977 0.1 1 358 . 42 ILE H H 7.990 0.02 1 359 . 42 ILE CA C 60.642 0.1 1 360 . 42 ILE HA H 5.179 0.02 1 361 . 42 ILE CB C 41.714 0.1 1 362 . 42 ILE HB H 1.580 0.02 1 363 . 42 ILE HG2 H 0.786 0.02 1 364 . 42 ILE CG2 C 18.932 0.1 1 365 . 42 ILE CG1 C 27.624 0.1 1 366 . 42 ILE HG12 H 1.819 0.02 2 367 . 42 ILE HG13 H 0.778 0.02 2 368 . 42 ILE HD1 H 0.744 0.02 1 369 . 42 ILE CD1 C 13.923 0.1 1 370 . 42 ILE C C 176.635 0.1 1 371 . 43 VAL N N 125.051 0.1 1 372 . 43 VAL H H 8.663 0.02 1 373 . 43 VAL CA C 60.480 0.1 1 374 . 43 VAL HA H 4.640 0.02 1 375 . 43 VAL CB C 36.514 0.1 1 376 . 43 VAL HB H 2.033 0.02 1 377 . 43 VAL HG1 H 1.002 0.02 2 378 . 43 VAL HG2 H 0.786 0.02 2 379 . 43 VAL CG1 C 20.850 0.1 1 380 . 43 VAL CG2 C 21.076 0.1 1 381 . 43 VAL C C 175.968 0.1 1 382 . 44 SER N N 123.596 0.1 1 383 . 44 SER H H 9.152 0.02 1 384 . 44 SER CA C 60.804 0.1 1 385 . 44 SER HA H 4.797 0.02 1 386 . 44 SER CB C 63.555 0.1 1 387 . 44 SER HB2 H 4.086 0.02 2 388 . 44 SER HB3 H 3.920 0.02 2 389 . 44 SER C C 174.094 0.1 1 390 . 45 ALA N N 125.566 0.1 1 391 . 45 ALA H H 8.552 0.02 1 392 . 45 ALA CA C 52.239 0.1 1 393 . 45 ALA HA H 5.220 0.02 1 394 . 45 ALA HB H 1.361 0.02 1 395 . 45 ALA CB C 26.221 0.1 1 396 . 45 ALA C C 174.623 0.1 1 397 . 46 THR N N 115.921 0.1 1 398 . 46 THR H H 8.812 0.02 1 399 . 46 THR CA C 61.739 0.1 1 400 . 46 THR HA H 4.935 0.02 1 401 . 46 THR CB C 71.300 0.1 1 402 . 46 THR HB H 3.764 0.02 1 403 . 46 THR HG2 H 0.778 0.02 1 404 . 46 THR CG2 C 22.267 0.1 1 405 . 46 THR C C 171.910 0.1 1 406 . 47 LEU N N 127.944 0.1 1 407 . 47 LEU H H 9.128 0.02 1 408 . 47 LEU CA C 50.931 0.1 1 409 . 47 LEU HA H 4.825 0.02 1 410 . 47 LEU CB C 43.486 0.1 1 411 . 47 LEU HB2 H 1.498 0.02 2 412 . 47 LEU HB3 H -0.112 0.02 2 413 . 47 LEU CG C 26.977 0.1 1 414 . 47 LEU HG H 1.237 0.02 1 415 . 47 LEU HD1 H -0.233 0.02 2 416 . 47 LEU HD2 H 0.396 0.02 2 417 . 47 LEU CD1 C 26.653 0.1 1 418 . 47 LEU CD2 C 23.092 0.1 1 419 . 47 LEU C C 173.197 0.1 1 420 . 48 PRO CD C 51.472 0.1 1 421 . 48 PRO CA C 62.584 0.1 1 422 . 48 PRO HA H 4.791 0.02 1 423 . 48 PRO CB C 32.879 0.1 1 424 . 48 PRO HB2 H 2.013 0.02 2 425 . 48 PRO HB3 H 2.448 0.02 2 426 . 48 PRO CG C 26.944 0.1 1 427 . 48 PRO HG2 H 2.079 0.02 2 428 . 48 PRO HG3 H 1.919 0.02 2 429 . 48 PRO HD2 H 3.940 0.02 2 430 . 48 PRO HD3 H 4.053 0.02 2 431 . 48 PRO C C 177.675 0.1 1 432 . 49 GLY N N 108.746 0.1 1 433 . 49 GLY H H 8.568 0.02 1 434 . 49 GLY CA C 46.529 0.1 1 435 . 49 GLY HA2 H 3.989 0.02 2 436 . 49 GLY HA3 H 3.823 0.02 2 437 . 49 GLY C C 174.919 0.1 1 438 . 50 PHE N N 118.379 0.1 1 439 . 50 PHE H H 7.286 0.02 1 440 . 50 PHE CA C 56.613 0.1 1 441 . 50 PHE HA H 4.920 0.02 1 442 . 50 PHE CB C 45.037 0.1 1 443 . 50 PHE HB2 H 2.341 0.02 2 444 . 50 PHE HB3 H 2.459 0.02 2 445 . 50 PHE CD1 C 131.710 0.1 1 446 . 50 PHE HD1 H 6.802 0.02 1 447 . 50 PHE CE1 C 130.606 0.1 1 448 . 50 PHE HE1 H 7.231 0.02 1 449 . 50 PHE HE2 H 7.231 0.02 1 450 . 50 PHE HD2 H 6.802 0.02 1 451 . 50 PHE C C 172.228 0.1 1 452 . 51 GLN N N 115.999 0.1 1 453 . 51 GLN H H 8.550 0.02 1 454 . 51 GLN CA C 54.486 0.1 1 455 . 51 GLN HA H 4.413 0.02 1 456 . 51 GLN CB C 33.500 0.1 1 457 . 51 GLN HB2 H 1.756 0.02 2 458 . 51 GLN HB3 H 1.549 0.02 2 459 . 51 GLN CG C 34.098 0.1 1 460 . 51 GLN HG2 H 1.645 0.02 2 461 . 51 GLN HG3 H 1.908 0.02 2 462 . 51 GLN NE2 N 112.660 0.1 1 463 . 51 GLN HE21 H 6.914 0.02 2 464 . 51 GLN HE22 H 7.406 0.02 2 465 . 51 GLN C C 172.846 0.1 1 466 . 52 ARG N N 124.028 0.1 1 467 . 52 ARG H H 8.489 0.02 1 468 . 52 ARG CA C 54.168 0.1 1 469 . 52 ARG HA H 5.372 0.02 1 470 . 52 ARG CB C 32.480 0.1 1 471 . 52 ARG HB2 H 1.304 0.02 2 472 . 52 ARG HB3 H 2.335 0.02 2 473 . 52 ARG C C 175.195 0.1 1 474 . 53 PHE N N 128.012 0.1 1 475 . 53 PHE H H 8.867 0.02 1 476 . 53 PHE CA C 57.405 0.1 1 477 . 53 PHE HA H 5.216 0.02 1 478 . 53 PHE CB C 44.780 0.1 1 479 . 53 PHE HB2 H 2.311 0.02 2 480 . 53 PHE HB3 H 3.400 0.02 2 481 . 53 PHE CD1 C 132.429 0.1 1 482 . 53 PHE HD1 H 7.135 0.02 1 483 . 53 PHE CE1 C 131.127 0.1 1 484 . 53 PHE HE1 H 7.143 0.02 1 485 . 53 PHE HE2 H 7.143 0.02 1 486 . 53 PHE HD2 H 7.135 0.02 1 487 . 53 PHE C C 175.888 0.1 1 488 . 54 ARG N N 117.461 0.1 1 489 . 54 ARG H H 7.935 0.02 1 490 . 54 ARG CA C 55.786 0.1 1 491 . 54 ARG HA H 4.263 0.02 1 492 . 54 ARG CB C 31.832 0.1 1 493 . 54 ARG HB2 H 1.539 0.02 2 494 . 54 ARG HB3 H 1.727 0.02 2 495 . 54 ARG CG C 27.948 0.1 1 496 . 54 ARG HG3 H 1.551 0.02 2 497 . 54 ARG CD C 44.457 0.1 1 498 . 54 ARG HD2 H 3.122 0.02 2 499 . 54 ARG HD3 H 3.337 0.02 2 500 . 54 ARG C C 174.149 0.1 1 501 . 58 ARG N N 118.614 0.1 1 502 . 58 ARG H H 8.176 0.02 1 503 . 58 ARG CA C 58.951 0.1 1 504 . 58 ARG HA H 4.263 0.02 1 505 . 58 ARG CB C 31.568 0.1 1 506 . 58 ARG CD C 43.486 0.1 1 507 . 58 ARG HD2 H 2.743 0.02 2 508 . 58 ARG HD3 H 3.201 0.02 2 509 . 58 ARG NE N 84.480 0.1 1 510 . 58 ARG HE H 7.279 0.02 1 511 . 58 ARG C C 174.084 0.1 1 512 . 59 LEU N N 122.213 0.1 1 513 . 59 LEU H H 8.706 0.02 1 514 . 59 LEU CA C 53.031 0.1 1 515 . 59 LEU HA H 4.753 0.02 1 516 . 59 LEU CB C 46.075 0.1 1 517 . 59 LEU HB2 H 0.922 0.02 2 518 . 59 LEU HB3 H 1.200 0.02 2 519 . 59 LEU CG C 26.977 0.1 1 520 . 59 LEU HG H 0.966 0.02 1 521 . 59 LEU HD1 H -0.129 0.02 2 522 . 59 LEU HD2 H 0.102 0.02 2 523 . 59 LEU CD1 C 26.006 0.1 1 524 . 59 LEU CD2 C 24.063 0.1 1 525 . 59 LEU C C 174.288 0.1 1 526 . 60 TYR N N 124.383 0.1 1 527 . 60 TYR H H 8.915 0.02 1 528 . 60 TYR CA C 58.868 0.1 1 529 . 60 TYR HA H 4.052 0.02 1 530 . 60 TYR CB C 33.127 0.1 1 531 . 60 TYR HB3 H 1.695 0.02 2 532 . 60 TYR CD1 C 135.187 0.1 1 533 . 60 TYR HD1 H 7.106 0.02 1 534 . 60 TYR HD2 H 7.106 0.02 1 535 . 61 PRO CA C 62.009 0.1 1 536 . 61 PRO HA H 4.971 0.02 1 537 . 61 PRO C C 175.773 0.1 1 538 . 62 CYS N N 112.128 0.1 1 539 . 62 CYS H H 8.589 0.02 1 540 . 62 CYS CA C 55.925 0.1 1 541 . 62 CYS HA H 5.587 0.02 1 542 . 62 CYS CB C 34.506 0.1 1 543 . 62 CYS HB2 H 2.920 0.02 2 544 . 62 CYS HB3 H 2.396 0.02 2 545 . 62 CYS C C 172.084 0.1 1 546 . 63 ILE N N 107.637 0.1 1 547 . 63 ILE H H 6.594 0.02 1 548 . 63 ILE CA C 59.280 0.1 1 549 . 63 ILE HA H 5.916 0.02 1 550 . 63 ILE CB C 42.514 0.1 1 551 . 63 ILE HB H 1.598 0.02 1 552 . 63 ILE HG2 H 0.270 0.02 1 553 . 63 ILE CG2 C 14.376 0.1 1 554 . 63 ILE CG1 C 23.740 0.1 1 555 . 63 ILE HG12 H 1.480 0.02 2 556 . 63 ILE HG13 H 1.164 0.02 2 557 . 63 ILE HD1 H -0.253 0.02 1 558 . 63 ILE CD1 C 14.700 0.1 1 559 . 63 ILE C C 174.860 0.1 1 560 . 64 VAL N N 112.515 0.1 1 561 . 64 VAL H H 8.326 0.02 1 562 . 64 VAL CA C 59.671 0.1 1 563 . 64 VAL HA H 5.025 0.02 1 564 . 64 VAL CB C 34.746 0.1 1 565 . 64 VAL HB H 2.500 0.02 1 566 . 64 VAL HG1 H 1.337 0.02 2 567 . 64 VAL HG2 H 1.055 0.02 2 568 . 64 VAL CG1 C 25.358 0.1 1 569 . 64 VAL CG2 C 18.261 0.1 1 570 . 64 VAL C C 173.974 0.1 1 571 . 65 PRO CD C 51.511 0.1 1 572 . 65 PRO CA C 63.403 0.1 1 573 . 65 PRO HA H 3.724 0.02 1 574 . 65 PRO CB C 32.245 0.1 1 575 . 65 PRO HB2 H 1.640 0.02 2 576 . 65 PRO HB3 H 1.905 0.02 2 577 . 65 PRO CG C 27.948 0.1 1 578 . 65 PRO HG2 H 2.053 0.02 2 579 . 65 PRO HG3 H 1.777 0.02 2 580 . 65 PRO HD2 H 3.717 0.02 2 581 . 65 PRO HD3 H 4.052 0.02 2 582 . 65 PRO C C 176.173 0.1 1 583 . 66 SER N N 117.377 0.1 1 584 . 66 SER H H 8.134 0.02 1 585 . 66 SER CA C 57.290 0.1 1 586 . 66 SER HA H 4.405 0.02 1 587 . 66 SER CB C 65.351 0.1 1 588 . 66 SER HB2 H 3.730 0.02 2 589 . 66 SER HB3 H 3.172 0.02 2 590 . 66 SER HG H 4.807 0.02 1 591 . 66 SER C C 174.191 0.1 1 592 . 67 GLU N N 127.761 0.1 1 593 . 67 GLU H H 8.854 0.02 1 594 . 67 GLU CA C 59.881 0.1 1 595 . 67 GLU HA H 3.976 0.02 1 596 . 67 GLU CB C 29.505 0.1 1 597 . 67 GLU HB3 H 2.055 0.02 2 598 . 67 GLU CG C 36.520 0.1 1 599 . 67 GLU HG3 H 2.307 0.02 2 600 . 67 GLU C C 177.330 0.1 1 601 . 68 LYS N N 115.813 0.1 1 602 . 68 LYS H H 8.300 0.02 1 603 . 68 LYS CA C 55.929 0.1 1 604 . 68 LYS HA H 4.493 0.02 1 605 . 68 LYS CB C 33.192 0.1 1 606 . 68 LYS HB2 H 2.001 0.02 2 607 . 68 LYS HB3 H 1.722 0.02 2 608 . 68 LYS CG C 25.381 0.1 1 609 . 68 LYS HG3 H 1.379 0.02 2 610 . 68 LYS CD C 29.243 0.1 1 611 . 68 LYS HD3 H 1.685 0.02 2 612 . 68 LYS CE C 42.363 0.1 1 613 . 68 LYS HE3 H 2.993 0.02 2 614 . 68 LYS C C 176.661 0.1 1 615 . 69 GLY N N 108.538 0.1 1 616 . 69 GLY H H 7.883 0.02 1 617 . 69 GLY CA C 45.464 0.1 1 618 . 69 GLY HA2 H 4.213 0.02 2 619 . 69 GLY HA3 H 3.530 0.02 2 620 . 69 GLY C C 173.278 0.1 1 621 . 70 GLU N N 117.266 0.1 1 622 . 70 GLU H H 8.103 0.02 1 623 . 70 GLU CA C 56.573 0.1 1 624 . 70 GLU HA H 5.210 0.02 1 625 . 70 GLU CB C 33.775 0.1 1 626 . 70 GLU HB2 H 2.003 0.02 2 627 . 70 GLU HB3 H 1.653 0.02 2 628 . 70 GLU CG C 35.544 0.1 1 629 . 70 GLU HG2 H 2.174 0.02 2 630 . 70 GLU HG3 H 1.937 0.02 2 631 . 70 GLU C C 175.534 0.1 1 632 . 71 VAL N N 120.671 0.1 1 633 . 71 VAL H H 8.319 0.02 1 634 . 71 VAL CA C 61.304 0.1 1 635 . 71 VAL HA H 4.419 0.02 1 636 . 71 VAL CB C 35.480 0.1 1 637 . 71 VAL HB H 2.023 0.02 1 638 . 71 VAL HG1 H 0.955 0.02 2 639 . 71 VAL HG2 H 0.791 0.02 2 640 . 71 VAL CG1 C 21.821 0.1 1 641 . 71 VAL CG2 C 21.498 0.1 1 642 . 71 VAL C C 175.107 0.1 1 643 . 72 HIS N N 128.682 0.1 1 644 . 72 HIS H H 9.233 0.02 1 645 . 72 HIS CA C 56.259 0.1 1 646 . 72 HIS HA H 5.144 0.02 1 647 . 72 HIS CB C 29.749 0.1 1 648 . 72 HIS HB2 H 3.483 0.02 2 649 . 72 HIS HB3 H 3.304 0.02 2 650 . 72 HIS CD2 C 119.989 0.1 1 651 . 72 HIS CE1 C 137.632 0.1 1 652 . 72 HIS HD2 H 7.343 0.02 1 653 . 72 HIS HE1 H 8.318 0.02 1 654 . 72 HIS C C 174.499 0.1 1 655 . 73 GLY N N 111.645 0.1 1 656 . 73 GLY H H 8.789 0.02 1 657 . 73 GLY CA C 45.598 0.1 1 658 . 73 GLY HA2 H 3.428 0.02 2 659 . 73 GLY HA3 H 4.570 0.02 2 660 . 73 GLY C C 173.188 0.1 1 661 . 74 LYS N N 120.404 0.1 1 662 . 74 LYS H H 8.134 0.02 1 663 . 74 LYS CA C 53.295 0.1 1 664 . 74 LYS HA H 5.327 0.02 1 665 . 74 LYS CB C 37.366 0.1 1 666 . 74 LYS HB2 H 1.629 0.02 2 667 . 74 LYS HB3 H 1.303 0.02 2 668 . 74 LYS CG C 24.711 0.1 1 669 . 74 LYS HG2 H 1.494 0.02 2 670 . 74 LYS HG3 H 1.375 0.02 2 671 . 74 LYS CD C 29.514 0.1 1 672 . 74 LYS HD2 H 1.344 0.02 2 673 . 74 LYS HD3 H 1.828 0.02 2 674 . 74 LYS CE C 42.659 0.1 1 675 . 74 LYS HE2 H 2.961 0.02 2 676 . 74 LYS HE3 H 2.911 0.02 2 677 . 74 LYS C C 174.139 0.1 1 678 . 75 VAL N N 120.744 0.1 1 679 . 75 VAL H H 9.774 0.02 1 680 . 75 VAL CA C 60.611 0.1 1 681 . 75 VAL HA H 4.828 0.02 1 682 . 75 VAL CB C 34.039 0.1 1 683 . 75 VAL HB H 1.979 0.02 1 684 . 75 VAL HG1 H 0.748 0.02 2 685 . 75 VAL HG2 H 0.941 0.02 2 686 . 75 VAL CG1 C 23.416 0.1 1 687 . 75 VAL CG2 C 23.639 0.1 1 688 . 75 VAL C C 175.094 0.1 1 689 . 76 LEU N N 126.425 0.1 1 690 . 76 LEU H H 9.339 0.02 1 691 . 76 LEU CA C 53.505 0.1 1 692 . 76 LEU HA H 4.616 0.02 1 693 . 76 LEU CB C 42.331 0.1 1 694 . 76 LEU HB2 H 0.955 0.02 2 695 . 76 LEU HB3 H 1.940 0.02 2 696 . 76 LEU CG C 26.496 0.1 1 697 . 76 LEU HG H 1.744 0.02 1 698 . 76 LEU HD2 H 0.716 0.02 2 699 . 76 LEU CD2 C 23.836 0.1 1 700 . 76 LEU C C 175.769 0.1 1 701 . 77 MET N N 123.182 0.1 1 702 . 77 MET H H 8.593 0.02 1 703 . 77 MET CA C 53.998 0.1 1 704 . 77 MET HA H 5.144 0.02 1 705 . 77 MET CB C 32.896 0.1 1 706 . 77 MET HB2 H 2.027 0.02 2 707 . 77 MET HB3 H 1.918 0.02 2 708 . 77 MET CG C 32.509 0.1 1 709 . 77 MET HG2 H 2.313 0.02 2 710 . 77 MET HG3 H 2.443 0.02 2 711 . 77 MET HE H 1.994 0.02 1 712 . 77 MET CE C 16.966 0.1 1 713 . 77 MET C C 177.589 0.1 1 714 . 78 GLY N N 111.148 0.1 1 715 . 78 GLY H H 8.361 0.02 1 716 . 78 GLY CA C 48.765 0.1 1 717 . 78 GLY HA2 H 3.842 0.02 2 718 . 78 GLY HA3 H 3.664 0.02 2 719 . 78 GLY C C 174.574 0.1 1 720 . 79 VAL N N 122.582 0.1 1 721 . 79 VAL H H 9.161 0.02 1 722 . 79 VAL CA C 62.418 0.1 1 723 . 79 VAL HA H 4.097 0.02 1 724 . 79 VAL CB C 33.007 0.1 1 725 . 79 VAL HB H 2.080 0.02 1 726 . 79 VAL HG1 H 0.976 0.02 2 727 . 79 VAL HG2 H 0.748 0.02 2 728 . 79 VAL CG1 C 21.766 0.1 1 729 . 79 VAL CG2 C 22.166 0.1 1 730 . 79 VAL C C 176.954 0.1 1 731 . 80 THR N N 119.143 0.1 1 732 . 80 THR H H 9.451 0.02 1 733 . 80 THR CA C 61.838 0.1 1 734 . 80 THR HA H 4.867 0.02 1 735 . 80 THR CB C 71.180 0.1 1 736 . 80 THR HB H 4.880 0.02 1 737 . 80 THR HG2 H 1.289 0.02 1 738 . 80 THR CG2 C 21.821 0.1 1 739 . 80 THR C C 176.763 0.1 1 740 . 81 SER N N 116.603 0.1 1 741 . 81 SER H H 9.182 0.02 1 742 . 81 SER CA C 63.007 0.1 1 743 . 81 SER HA H 4.093 0.02 1 744 . 81 SER C C 176.502 0.1 1 745 . 82 ASP N N 121.192 0.1 1 746 . 82 ASP H H 8.367 0.02 1 747 . 82 ASP CA C 57.589 0.1 1 748 . 82 ASP HA H 4.381 0.02 1 749 . 82 ASP CB C 41.013 0.1 1 750 . 82 ASP HB2 H 2.637 0.02 2 751 . 82 ASP HB3 H 2.527 0.02 2 752 . 82 ASP C C 178.818 0.1 1 753 . 83 GLU N N 121.389 0.1 1 754 . 83 GLU H H 7.617 0.02 1 755 . 83 GLU CA C 59.259 0.1 1 756 . 83 GLU HA H 3.870 0.02 1 757 . 83 GLU CB C 30.480 0.1 1 758 . 83 GLU HB2 H 1.604 0.02 2 759 . 83 GLU HB3 H 2.520 0.02 2 760 . 83 GLU CG C 38.090 0.1 1 761 . 83 GLU HG2 H 2.334 0.02 2 762 . 83 GLU HG3 H 2.458 0.02 2 763 . 83 GLU C C 179.333 0.1 1 764 . 84 LEU N N 121.060 0.1 1 765 . 84 LEU H H 8.669 0.02 1 766 . 84 LEU CA C 57.936 0.1 1 767 . 84 LEU HA H 3.823 0.02 1 768 . 84 LEU CB C 42.350 0.1 1 769 . 84 LEU HB2 H 1.709 0.02 2 770 . 84 LEU HB3 H 1.131 0.02 2 771 . 84 LEU CG C 26.176 0.1 1 772 . 84 LEU HG H 1.445 0.02 1 773 . 84 LEU HD1 H 0.029 0.02 2 774 . 84 LEU HD2 H 0.528 0.02 2 775 . 84 LEU CD1 C 24.780 0.1 1 776 . 84 LEU CD2 C 24.387 0.1 1 777 . 84 LEU C C 177.809 0.1 1 778 . 85 GLU N N 116.986 0.1 1 779 . 85 GLU H H 7.609 0.02 1 780 . 85 GLU CA C 59.725 0.1 1 781 . 85 GLU HA H 4.036 0.02 1 782 . 85 GLU CB C 29.521 0.1 1 783 . 85 GLU HB3 H 2.113 0.02 2 784 . 85 GLU CG C 37.051 0.1 1 785 . 85 GLU HG2 H 2.257 0.02 2 786 . 85 GLU HG3 H 2.508 0.02 2 787 . 85 GLU C C 179.782 0.1 1 788 . 86 ASN N N 119.148 0.1 1 789 . 86 ASN H H 7.418 0.02 1 790 . 86 ASN CA C 56.265 0.1 1 791 . 86 ASN HA H 4.484 0.02 1 792 . 86 ASN CB C 37.917 0.1 1 793 . 86 ASN HB2 H 2.687 0.02 2 794 . 86 ASN HB3 H 3.015 0.02 2 795 . 86 ASN ND2 N 111.271 0.1 1 796 . 86 ASN HD21 H 6.813 0.02 2 797 . 86 ASN HD22 H 7.449 0.02 2 798 . 86 ASN C C 177.215 0.1 1 799 . 87 LEU N N 121.949 0.1 1 800 . 87 LEU H H 7.871 0.02 1 801 . 87 LEU CA C 58.796 0.1 1 802 . 87 LEU HA H 3.758 0.02 1 803 . 87 LEU CB C 41.054 0.1 1 804 . 87 LEU HB2 H 1.901 0.02 2 805 . 87 LEU HB3 H 1.494 0.02 2 806 . 87 LEU CG C 26.977 0.1 1 807 . 87 LEU HG H 1.524 0.02 1 808 . 87 LEU HD1 H 0.307 0.02 2 809 . 87 LEU HD2 H 0.521 0.02 2 810 . 87 LEU CD1 C 23.740 0.1 1 811 . 87 LEU CD2 C 25.007 0.1 1 812 . 87 LEU C C 178.772 0.1 1 813 . 88 ASP N N 118.528 0.1 1 814 . 88 ASP H H 8.780 0.02 1 815 . 88 ASP CA C 57.477 0.1 1 816 . 88 ASP HA H 4.151 0.02 1 817 . 88 ASP CB C 40.852 0.1 1 818 . 88 ASP HB2 H 2.631 0.02 2 819 . 88 ASP HB3 H 2.964 0.02 2 820 . 88 ASP C C 179.517 0.1 1 821 . 89 ALA N N 121.179 0.1 1 822 . 89 ALA H H 7.547 0.02 1 823 . 89 ALA CA C 54.711 0.1 1 824 . 89 ALA HA H 4.102 0.02 1 825 . 89 ALA HB H 1.532 0.02 1 826 . 89 ALA CB C 18.521 0.1 1 827 . 89 ALA C C 179.620 0.1 1 828 . 90 VAL N N 117.383 0.1 1 829 . 90 VAL H H 7.619 0.02 1 830 . 90 VAL CA C 65.473 0.1 1 831 . 90 VAL HA H 3.742 0.02 1 832 . 90 VAL CB C 32.480 0.1 1 833 . 90 VAL HB H 2.031 0.02 1 834 . 90 VAL HG1 H 0.772 0.02 2 835 . 90 VAL HG2 H 0.997 0.02 2 836 . 90 VAL CG1 C 21.821 0.1 1 837 . 90 VAL CG2 C 23.092 0.1 1 838 . 91 GLU N N 118.871 0.1 1 839 . 91 GLU H H 7.899 0.02 1 840 . 91 GLU CA C 58.052 0.1 1 841 . 91 GLU HA H 4.105 0.02 1 842 . 91 GLU CB C 28.595 0.1 1 843 . 91 GLU HB2 H 1.400 0.02 1 844 . 91 GLU HB3 H 1.400 0.02 1 845 . 91 GLU CG C 32.156 0.1 1 846 . 91 GLU HG2 H 0.205 0.02 2 847 . 91 GLU HG3 H 1.568 0.02 2 848 . 91 GLU C C 178.339 0.1 1 849 . 92 GLY N N 101.825 0.1 1 850 . 92 GLY H H 7.440 0.02 1 851 . 92 GLY CA C 45.834 0.1 1 852 . 92 GLY HA2 H 3.878 0.02 2 853 . 92 GLY HA3 H 4.242 0.02 2 854 . 92 GLY C C 175.526 0.1 1 855 . 93 ASN N N 114.464 0.1 1 856 . 93 ASN H H 8.256 0.02 1 857 . 93 ASN CA C 54.926 0.1 1 858 . 93 ASN HA H 4.669 0.02 1 859 . 93 ASN CB C 39.052 0.1 1 860 . 93 ASN HB2 H 2.864 0.02 2 861 . 93 ASN HB3 H 2.955 0.02 2 862 . 93 ASN ND2 N 111.675 0.1 1 863 . 93 ASN HD21 H 6.868 0.02 2 864 . 93 ASN HD22 H 7.573 0.02 2 865 . 93 ASN C C 177.055 0.1 1 866 . 94 GLU N N 117.675 0.1 1 867 . 94 GLU H H 8.659 0.02 1 868 . 94 GLU CA C 57.829 0.1 1 869 . 94 GLU HA H 3.768 0.02 1 870 . 94 GLU CB C 31.185 0.1 1 871 . 94 GLU HB2 H 0.734 0.02 2 872 . 94 GLU HB3 H 1.604 0.02 2 873 . 94 GLU CG C 37.983 0.1 1 874 . 94 GLU HG2 H 1.823 0.02 2 875 . 94 GLU HG3 H 2.194 0.02 2 876 . 94 GLU C C 175.037 0.1 1 877 . 95 TYR N N 114.288 0.1 1 878 . 95 TYR H H 7.404 0.02 1 879 . 95 TYR CA C 56.635 0.1 1 880 . 95 TYR HA H 5.378 0.02 1 881 . 95 TYR CB C 43.486 0.1 1 882 . 95 TYR HB2 H 3.037 0.02 2 883 . 95 TYR HB3 H 2.844 0.02 2 884 . 95 TYR CD1 C 134.201 0.1 1 885 . 95 TYR HD1 H 6.996 0.02 1 886 . 95 TYR CE1 C 118.678 0.1 1 887 . 95 TYR HE1 H 7.079 0.02 1 888 . 95 TYR HE2 H 7.079 0.02 1 889 . 95 TYR HD2 H 6.996 0.02 1 890 . 95 TYR C C 174.941 0.1 1 891 . 96 GLU N N 118.266 0.1 1 892 . 96 GLU H H 9.449 0.02 1 893 . 96 GLU CA C 54.031 0.1 1 894 . 96 GLU HA H 4.854 0.02 1 895 . 96 GLU CB C 32.918 0.1 1 896 . 96 GLU HB2 H 1.953 0.02 2 897 . 96 GLU HB3 H 1.853 0.02 2 898 . 96 GLU CG C 35.969 0.1 1 899 . 96 GLU HG3 H 2.190 0.02 2 900 . 96 GLU C C 174.926 0.1 1 901 . 97 ARG N N 127.022 0.1 1 902 . 97 ARG H H 8.915 0.02 1 903 . 97 ARG CA C 55.618 0.1 1 904 . 97 ARG HA H 4.893 0.02 1 905 . 97 ARG CB C 30.344 0.1 1 906 . 97 ARG HB2 H 1.387 0.02 2 907 . 97 ARG HB3 H 1.648 0.02 2 908 . 97 ARG CG C 27.003 0.1 1 909 . 97 ARG HG2 H 0.929 0.02 2 910 . 97 ARG HG3 H 1.254 0.02 2 911 . 97 ARG CD C 43.439 0.1 1 912 . 97 ARG HD2 H 2.825 0.02 2 913 . 97 ARG HD3 H 2.758 0.02 2 914 . 97 ARG C C 176.156 0.1 1 915 . 98 VAL N N 122.265 0.1 1 916 . 98 VAL H H 8.734 0.02 1 917 . 98 VAL CA C 59.522 0.1 1 918 . 98 VAL HA H 4.739 0.02 1 919 . 98 VAL CB C 36.112 0.1 1 920 . 98 VAL HB H 2.184 0.02 1 921 . 98 VAL HG1 H 0.915 0.02 2 922 . 98 VAL HG2 H 0.749 0.02 2 923 . 98 VAL CG1 C 21.676 0.1 1 924 . 98 VAL CG2 C 19.105 0.1 1 925 . 98 VAL C C 174.400 0.1 1 926 . 99 THR N N 118.766 0.1 1 927 . 99 THR H H 8.374 0.02 1 928 . 99 THR CA C 62.762 0.1 1 929 . 99 THR HA H 5.194 0.02 1 930 . 99 THR CB C 69.886 0.1 1 931 . 99 THR HB H 3.938 0.02 1 932 . 99 THR HG2 H 1.126 0.02 1 933 . 99 THR CG2 C 21.892 0.1 1 934 . 99 THR C C 174.710 0.1 1 935 . 100 VAL N N 120.607 0.1 1 936 . 100 VAL H H 9.308 0.02 1 937 . 100 VAL CA C 59.204 0.1 1 938 . 100 VAL HA H 4.677 0.02 1 939 . 100 VAL CB C 36.497 0.1 1 940 . 100 VAL HB H 1.963 0.02 1 941 . 100 VAL HG1 H 0.261 0.02 2 942 . 100 VAL HG2 H 0.555 0.02 2 943 . 100 VAL CG1 C 19.041 0.1 1 944 . 100 VAL CG2 C 23.112 0.1 1 945 . 100 VAL C C 174.091 0.1 1 946 . 101 GLY N N 108.224 0.1 1 947 . 101 GLY H H 8.336 0.02 1 948 . 101 GLY CA C 45.495 0.1 1 949 . 101 GLY HA2 H 4.957 0.02 2 950 . 101 GLY HA3 H 3.391 0.02 2 951 . 101 GLY C C 174.078 0.1 1 952 . 102 ILE N N 114.651 0.1 1 953 . 102 ILE H H 8.657 0.02 1 954 . 102 ILE CA C 57.266 0.1 1 955 . 102 ILE HA H 4.878 0.02 1 956 . 102 ILE CB C 42.802 0.1 1 957 . 102 ILE HB H 1.713 0.02 1 958 . 102 ILE HG2 H 0.176 0.02 1 959 . 102 ILE CG2 C 22.997 0.1 1 960 . 102 ILE CG1 C 27.948 0.1 1 961 . 102 ILE HG12 H 0.825 0.02 2 962 . 102 ILE HG13 H 1.473 0.02 2 963 . 102 ILE HD1 H 0.750 0.02 1 964 . 102 ILE CD1 C 16.318 0.1 1 965 . 102 ILE C C 176.258 0.1 1 966 . 103 VAL N N 120.716 0.1 1 967 . 103 VAL H H 8.869 0.02 1 968 . 103 VAL CA C 61.725 0.1 1 969 . 103 VAL HA H 4.451 0.02 1 970 . 103 VAL CB C 34.260 0.1 1 971 . 103 VAL HB H 1.871 0.02 1 972 . 103 VAL HG2 H 0.797 0.02 2 973 . 103 VAL CG2 C 20.874 0.1 1 974 . 103 VAL C C 177.016 0.1 1 975 . 104 ARG N N 129.455 0.1 1 976 . 104 ARG H H 9.096 0.02 1 977 . 104 ARG CA C 57.728 0.1 1 978 . 104 ARG HA H 4.199 0.02 1 979 . 104 ARG CB C 32.144 0.1 1 980 . 104 ARG HB2 H 2.526 0.02 2 981 . 104 ARG HB3 H 2.130 0.02 2 982 . 104 ARG CG C 28.919 0.1 1 983 . 104 ARG HG2 H 1.375 0.02 2 984 . 104 ARG HG3 H 1.713 0.02 2 985 . 104 ARG CD C 44.133 0.1 1 986 . 104 ARG HD3 H 3.420 0.02 2 987 . 104 ARG NE N 85.407 0.1 1 988 . 104 ARG HE H 8.838 0.02 1 989 . 104 ARG C C 178.087 0.1 1 990 . 105 GLU N N 122.470 0.1 1 991 . 105 GLU H H 8.519 0.02 1 992 . 105 GLU CA C 58.613 0.1 1 993 . 105 GLU HA H 4.156 0.02 1 994 . 105 GLU CB C 30.343 0.1 1 995 . 105 GLU HB2 H 1.745 0.02 2 996 . 105 GLU HB3 H 2.076 0.02 2 997 . 105 GLU CG C 37.366 0.1 1 998 . 105 GLU HG3 H 2.277 0.02 2 999 . 105 GLU C C 177.495 0.1 1 1000 . 106 ASP N N 116.972 0.1 1 1001 . 106 ASP H H 8.691 0.02 1 1002 . 106 ASP CA C 56.050 0.1 1 1003 . 106 ASP HA H 4.372 0.02 1 1004 . 106 ASP CB C 39.343 0.1 1 1005 . 106 ASP HB2 H 2.757 0.02 2 1006 . 106 ASP HB3 H 2.874 0.02 2 1007 . 106 ASP C C 178.547 0.1 1 1008 . 107 ASN N N 117.482 0.1 1 1009 . 107 ASN H H 8.318 0.02 1 1010 . 107 ASN CA C 52.107 0.1 1 1011 . 107 ASN HA H 4.802 0.02 1 1012 . 107 ASN CB C 39.154 0.1 1 1013 . 107 ASN HB2 H 3.209 0.02 2 1014 . 107 ASN HB3 H 2.602 0.02 2 1015 . 107 ASN ND2 N 107.160 0.1 1 1016 . 107 ASN HD21 H 7.223 0.02 2 1017 . 107 ASN HD22 H 6.391 0.02 2 1018 . 107 ASN C C 176.532 0.1 1 1019 . 108 SER N N 110.815 0.1 1 1020 . 108 SER H H 7.650 0.02 1 1021 . 108 SER CA C 60.629 0.1 1 1022 . 108 SER HA H 4.320 0.02 1 1023 . 108 SER CB C 62.504 0.1 1 1024 . 108 SER HB3 H 4.095 0.02 2 1025 . 108 SER C C 173.306 0.1 1 1026 . 109 GLU N N 120.372 0.1 1 1027 . 109 GLU H H 8.051 0.02 1 1028 . 109 GLU CA C 56.935 0.1 1 1029 . 109 GLU HA H 4.242 0.02 1 1030 . 109 GLU CB C 31.159 0.1 1 1031 . 109 GLU HB2 H 1.891 0.02 2 1032 . 109 GLU HB3 H 1.972 0.02 2 1033 . 109 GLU CG C 36.734 0.1 1 1034 . 109 GLU HG2 H 2.157 0.02 2 1035 . 109 GLU HG3 H 1.904 0.02 2 1036 . 109 GLU C C 176.246 0.1 1 1037 . 110 LYS N N 122.692 0.1 1 1038 . 110 LYS H H 8.497 0.02 1 1039 . 110 LYS CA C 55.727 0.1 1 1040 . 110 LYS HA H 5.194 0.02 1 1041 . 110 LYS CB C 33.377 0.1 1 1042 . 110 LYS HB2 H 1.676 0.02 2 1043 . 110 LYS HB3 H 1.838 0.02 2 1044 . 110 LYS CG C 25.682 0.1 1 1045 . 110 LYS HG2 H 1.359 0.02 2 1046 . 110 LYS HG3 H 1.565 0.02 2 1047 . 110 LYS CD C 29.510 0.1 1 1048 . 110 LYS HD3 H 1.660 0.02 2 1049 . 110 LYS CE C 42.403 0.1 1 1050 . 110 LYS HE3 H 2.932 0.02 2 1051 . 110 LYS C C 177.606 0.1 1 1052 . 111 MET N N 119.933 0.1 1 1053 . 111 MET H H 8.315 0.02 1 1054 . 111 MET CA C 55.355 0.1 1 1055 . 111 MET HA H 4.625 0.02 1 1056 . 111 MET CB C 38.525 0.1 1 1057 . 111 MET HB2 H 1.681 0.02 2 1058 . 111 MET HB3 H 2.032 0.02 2 1059 . 111 MET CG C 31.280 0.1 1 1060 . 111 MET HG2 H 2.215 0.02 2 1061 . 111 MET HG3 H 2.492 0.02 2 1062 . 111 MET HE H 1.893 0.02 1 1063 . 111 MET CE C 16.990 0.1 1 1064 . 111 MET C C 173.573 0.1 1 1065 . 112 ALA N N 127.404 0.1 1 1066 . 112 ALA H H 8.606 0.02 1 1067 . 112 ALA CA C 51.550 0.1 1 1068 . 112 ALA HA H 5.196 0.02 1 1069 . 112 ALA HB H 1.264 0.02 1 1070 . 112 ALA CB C 19.100 0.1 1 1071 . 112 ALA C C 177.694 0.1 1 1072 . 113 VAL N N 117.177 0.1 1 1073 . 113 VAL H H 9.341 0.02 1 1074 . 113 VAL CA C 58.989 0.1 1 1075 . 113 VAL HA H 4.965 0.02 1 1076 . 113 VAL CB C 35.863 0.1 1 1077 . 113 VAL HB H 2.226 0.02 1 1078 . 113 VAL HG1 H 0.684 0.02 2 1079 . 113 VAL HG2 H 0.828 0.02 2 1080 . 113 VAL CG1 C 21.665 0.1 1 1081 . 113 VAL CG2 C 23.416 0.1 1 1082 . 113 VAL C C 173.966 0.1 1 1083 . 114 LYS N N 117.366 0.1 1 1084 . 114 LYS H H 8.463 0.02 1 1085 . 114 LYS CA C 54.949 0.1 1 1086 . 114 LYS HA H 5.444 0.02 1 1087 . 114 LYS CB C 35.299 0.1 1 1088 . 114 LYS HB2 H 1.395 0.02 2 1089 . 114 LYS HB3 H 1.625 0.02 2 1090 . 114 LYS CD C 29.890 0.1 1 1091 . 114 LYS HD2 H 1.396 0.02 2 1092 . 114 LYS HD3 H 1.596 0.02 2 1093 . 114 LYS CE C 42.446 0.1 1 1094 . 114 LYS HE3 H 2.897 0.02 2 1095 . 114 LYS C C 176.530 0.1 1 1096 . 115 THR N N 114.911 0.1 1 1097 . 115 THR H H 9.021 0.02 1 1098 . 115 THR CA C 62.178 0.1 1 1099 . 115 THR HA H 4.493 0.02 1 1100 . 115 THR CB C 70.344 0.1 1 1101 . 115 THR HB H 4.106 0.02 1 1102 . 115 THR HG2 H 0.675 0.02 1 1103 . 115 THR HG1 H 5.345 0.02 1 1104 . 115 THR CG2 C 19.232 0.1 1 1105 . 115 THR C C 170.540 0.1 1 1106 . 116 TYR N N 121.567 0.1 1 1107 . 116 TYR H H 8.233 0.02 1 1108 . 116 TYR CA C 58.517 0.1 1 1109 . 116 TYR HA H 4.992 0.02 1 1110 . 116 TYR CB C 39.601 0.1 1 1111 . 116 TYR HB3 H 2.507 0.02 2 1112 . 116 TYR CD1 C 132.814 0.1 1 1113 . 116 TYR HD1 H 6.848 0.02 1 1114 . 116 TYR CE1 C 116.917 0.1 1 1115 . 116 TYR HE1 H 6.573 0.02 1 1116 . 116 TYR HE2 H 6.573 0.02 1 1117 . 116 TYR HD2 H 6.848 0.02 1 1118 . 116 TYR C C 175.117 0.1 1 1119 . 117 MET N N 126.163 0.1 1 1120 . 117 MET H H 9.774 0.02 1 1121 . 117 MET CA C 53.988 0.1 1 1122 . 117 MET HA H 5.242 0.02 1 1123 . 117 MET CB C 37.170 0.1 1 1124 . 117 MET HB3 H 2.158 0.02 2 1125 . 117 MET CG C 31.361 0.1 1 1126 . 117 MET HG2 H 2.687 0.02 2 1127 . 117 MET HG3 H 2.939 0.02 2 1128 . 117 MET HE H 2.117 0.02 1 1129 . 117 MET CE C 17.937 0.1 1 1130 . 117 MET C C 174.577 0.1 1 1131 . 118 TRP N N 128.349 0.1 1 1132 . 118 TRP H H 8.795 0.02 1 1133 . 118 TRP CA C 57.405 0.1 1 1134 . 118 TRP HA H 4.754 0.02 1 1135 . 118 TRP CB C 33.451 0.1 1 1136 . 118 TRP HB2 H 2.962 0.02 2 1137 . 118 TRP HB3 H 3.334 0.02 2 1138 . 118 TRP CD1 C 128.574 0.1 1 1139 . 118 TRP CE3 C 119.545 0.1 1 1140 . 118 TRP NE1 N 130.452 0.1 1 1141 . 118 TRP HD1 H 7.519 0.02 1 1142 . 118 TRP HE3 H 6.994 0.02 1 1143 . 118 TRP CZ3 C 123.099 0.1 1 1144 . 118 TRP CZ2 C 115.035 0.1 1 1145 . 118 TRP HE1 H 11.209 0.02 1 1146 . 118 TRP HZ3 H 6.488 0.02 1 1147 . 118 TRP CH2 C 125.733 0.1 1 1148 . 118 TRP HZ2 H 7.300 0.02 1 1149 . 118 TRP HH2 H 6.981 0.02 1 1150 . 118 TRP C C 177.074 0.1 1 1151 . 119 ILE N N 125.303 0.1 1 1152 . 119 ILE H H 7.606 0.02 1 1153 . 119 ILE CA C 65.150 0.1 1 1154 . 119 ILE HA H 3.674 0.02 1 1155 . 119 ILE CB C 38.630 0.1 1 1156 . 119 ILE HB H 1.281 0.02 1 1157 . 119 ILE HG2 H 0.731 0.02 1 1158 . 119 ILE CG2 C 17.290 0.1 1 1159 . 119 ILE CG1 C 30.537 0.1 1 1160 . 119 ILE HG12 H 1.336 0.02 2 1161 . 119 ILE HG13 H 0.830 0.02 2 1162 . 119 ILE HD1 H 0.672 0.02 1 1163 . 119 ILE CD1 C 14.053 0.1 1 1164 . 119 ILE C C 177.060 0.1 1 1165 . 120 ASN N N 115.918 0.1 1 1166 . 120 ASN H H 7.282 0.02 1 1167 . 120 ASN CA C 52.038 0.1 1 1168 . 120 ASN HA H 4.758 0.02 1 1169 . 120 ASN CB C 37.487 0.1 1 1170 . 120 ASN HB2 H 2.546 0.02 2 1171 . 120 ASN HB3 H 3.016 0.02 2 1172 . 120 ASN ND2 N 110.284 0.1 1 1173 . 120 ASN HD21 H 7.065 0.02 2 1174 . 120 ASN HD22 H 7.722 0.02 2 1175 . 120 ASN C C 175.408 0.1 1 1176 . 121 LYS N N 123.276 0.1 1 1177 . 121 LYS H H 8.249 0.02 1 1178 . 121 LYS CA C 58.208 0.1 1 1179 . 121 LYS HA H 4.112 0.02 1 1180 . 121 LYS CB C 31.705 0.1 1 1181 . 121 LYS HB2 H 1.875 0.02 2 1182 . 121 LYS HB3 H 2.065 0.02 2 1183 . 121 LYS CG C 25.035 0.1 1 1184 . 121 LYS HG3 H 1.665 0.02 2 1185 . 121 LYS CD C 29.031 0.1 1 1186 . 121 LYS HD3 H 1.833 0.02 2 1187 . 121 LYS CE C 42.560 0.1 1 1188 . 121 LYS HE2 H 3.160 0.02 2 1189 . 121 LYS HE3 H 3.227 0.02 2 1190 . 121 LYS C C 175.510 0.1 1 1191 . 122 ALA N N 120.916 0.1 1 1192 . 122 ALA H H 7.858 0.02 1 1193 . 122 ALA CA C 50.802 0.1 1 1194 . 122 ALA HA H 4.580 0.02 1 1195 . 122 ALA HB H 1.367 0.02 1 1196 . 122 ALA CB C 19.169 0.1 1 1197 . 122 ALA C C 176.848 0.1 1 1198 . 123 ASP N N 122.303 0.1 1 1199 . 123 ASP H H 7.166 0.02 1 1200 . 123 ASP CA C 53.197 0.1 1 1201 . 123 ASP HA H 4.523 0.02 1 1202 . 123 ASP CB C 42.838 0.1 1 1203 . 123 ASP HB3 H 3.097 0.02 2 1204 . 123 ASP C C 176.298 0.1 1 1205 . 124 PRO CD C 51.578 0.1 1 1206 . 124 PRO CA C 64.280 0.1 1 1207 . 124 PRO HA H 4.475 0.02 1 1208 . 124 PRO CB C 32.230 0.1 1 1209 . 124 PRO HB2 H 2.071 0.02 2 1210 . 124 PRO HB3 H 2.319 0.02 2 1211 . 124 PRO CG C 27.320 0.1 1 1212 . 124 PRO HG3 H 2.051 0.02 2 1213 . 124 PRO HD3 H 4.030 0.02 2 1214 . 124 PRO C C 177.232 0.1 1 1215 . 125 ASP N N 118.949 0.1 1 1216 . 125 ASP H H 8.811 0.02 1 1217 . 125 ASP CA C 55.364 0.1 1 1218 . 125 ASP HA H 4.528 0.02 1 1219 . 125 ASP CB C 40.977 0.1 1 1220 . 125 ASP HB2 H 2.687 0.02 2 1221 . 125 ASP HB3 H 2.840 0.02 2 1222 . 125 ASP C C 176.714 0.1 1 1223 . 126 MET N N 120.095 0.1 1 1224 . 126 MET H H 7.303 0.02 1 1225 . 126 MET CA C 55.980 0.1 1 1226 . 126 MET HA H 4.747 0.02 1 1227 . 126 MET CB C 33.775 0.1 1 1228 . 126 MET HB2 H 1.321 0.02 2 1229 . 126 MET HB3 H 1.639 0.02 2 1230 . 126 MET CG C 31.832 0.1 1 1231 . 126 MET HG2 H 1.696 0.02 2 1232 . 126 MET HG3 H 2.032 0.02 2 1233 . 126 MET HE H 1.915 0.02 1 1234 . 126 MET CE C 16.990 0.1 1 1235 . 126 MET C C 175.435 0.1 1 1236 . 127 PHE H H 7.142 0.02 1 1237 . 127 PHE CA C 58.010 0.1 1 1238 . 127 PHE HA H 4.740 0.02 1 1239 . 127 PHE CB C 41.167 0.1 1 1240 . 127 PHE HB3 H 3.069 0.02 2 1241 . 127 PHE CD1 C 132.309 0.1 1 1242 . 127 PHE HD1 H 7.166 0.02 1 1243 . 127 PHE HD2 H 7.166 0.02 1 1244 . 127 PHE C C 174.074 0.1 1 1245 . 128 GLY N N 108.957 0.1 1 1246 . 128 GLY H H 8.602 0.02 1 1247 . 128 GLY CA C 45.104 0.1 1 1248 . 128 GLY HA2 H 3.931 0.02 1 1249 . 128 GLY HA3 H 3.931 0.02 1 1250 . 128 GLY C C 172.725 0.1 1 1251 . 129 GLU N N 118.259 0.1 1 1252 . 129 GLU H H 8.189 0.02 1 1253 . 129 GLU CA C 55.960 0.1 1 1254 . 129 GLU HA H 4.622 0.02 1 1255 . 129 GLU CB C 32.027 0.1 1 1256 . 129 GLU HB3 H 2.026 0.02 2 1257 . 129 GLU CG C 36.559 0.1 1 1258 . 129 GLU HG3 H 2.338 0.02 2 1259 . 129 GLU C C 175.862 0.1 1 1260 . 130 TRP N N 127.210 0.1 1 1261 . 130 TRP H H 9.306 0.02 1 1262 . 130 TRP CA C 58.836 0.1 1 1263 . 130 TRP HA H 4.587 0.02 1 1264 . 130 TRP CB C 31.509 0.1 1 1265 . 130 TRP HB2 H 2.722 0.02 2 1266 . 130 TRP HB3 H 3.086 0.02 2 1267 . 130 TRP CD1 C 128.001 0.1 1 1268 . 130 TRP NE1 N 131.115 0.1 1 1269 . 130 TRP HD1 H 7.228 0.02 1 1270 . 130 TRP CZ3 C 123.033 0.1 1 1271 . 130 TRP CZ2 C 114.834 0.1 1 1272 . 130 TRP HE1 H 10.332 0.02 1 1273 . 130 TRP HZ3 H 6.374 0.02 1 1274 . 130 TRP HZ2 H 6.863 0.02 1 1275 . 130 TRP HH2 H 6.384 0.02 1 1276 . 130 TRP C C 174.077 0.1 1 1277 . 131 ASN N N 125.433 0.1 1 1278 . 131 ASN H H 7.874 0.02 1 1279 . 131 ASN HB2 H 2.632 0.02 2 1280 . 131 ASN HB3 H 2.744 0.02 2 1281 . 131 ASN ND2 N 113.764 0.1 1 1282 . 131 ASN HD21 H 7.127 0.02 2 1283 . 131 ASN HD22 H 7.775 0.02 2 1284 . 132 PHE H H 6.924 0.02 1 1285 . 132 PHE CA C 60.320 0.1 1 1286 . 132 PHE HA H 3.707 0.02 1 1287 . 132 PHE CB C 40.088 0.1 1 1288 . 132 PHE HB2 H 3.127 0.02 2 1289 . 132 PHE HB3 H 3.386 0.02 2 1290 . 132 PHE CD1 C 131.856 0.1 1 1291 . 132 PHE HD1 H 7.345 0.02 1 1292 . 132 PHE HD2 H 7.345 0.02 1 1293 . 132 PHE C C 176.258 0.1 1 1294 . 133 GLU N N 118.928 0.1 1 1295 . 133 GLU H H 8.326 0.02 1 1296 . 133 GLU CA C 60.357 0.1 1 1297 . 133 GLU HA H 3.738 0.02 1 1298 . 133 GLU CB C 28.595 0.1 1 1299 . 133 GLU HB2 H 2.179 0.02 2 1300 . 133 GLU HB3 H 2.050 0.02 2 1301 . 133 GLU CG C 36.868 0.1 1 1302 . 133 GLU HG2 H 2.420 0.02 2 1303 . 133 GLU HG3 H 2.443 0.02 2 1304 . 133 GLU C C 179.659 0.1 1 1305 . 134 GLU N N 121.273 0.1 1 1306 . 134 GLU H H 7.958 0.02 1 1307 . 134 GLU CA C 59.023 0.1 1 1308 . 134 GLU HA H 3.929 0.02 1 1309 . 134 GLU CB C 30.383 0.1 1 1310 . 134 GLU HB3 H 1.897 0.02 2 1311 . 134 GLU CG C 36.688 0.1 1 1312 . 134 GLU HG2 H 2.048 0.02 2 1313 . 134 GLU HG3 H 2.161 0.02 2 1314 . 134 GLU C C 177.527 0.1 1 1315 . 135 TRP N N 120.291 0.1 1 1316 . 135 TRP H H 7.631 0.02 1 1317 . 135 TRP CA C 62.908 0.1 1 1318 . 135 TRP HA H 3.908 0.02 1 1319 . 135 TRP CB C 28.272 0.1 1 1320 . 135 TRP HB2 H 2.874 0.02 2 1321 . 135 TRP HB3 H 3.224 0.02 2 1322 . 135 TRP CD1 C 126.927 0.1 1 1323 . 135 TRP CE3 C 119.042 0.1 1 1324 . 135 TRP HD1 H 7.307 0.02 1 1325 . 135 TRP HE3 H 7.082 0.02 1 1326 . 135 TRP CZ2 C 113.194 0.1 1 1327 . 135 TRP CH2 C 123.630 0.1 1 1328 . 135 TRP HZ2 H 6.864 0.02 1 1329 . 135 TRP HH2 H 7.001 0.02 1 1330 . 135 TRP C C 178.130 0.1 1 1331 . 136 LYS N N 119.386 0.1 1 1332 . 136 LYS H H 8.391 0.02 1 1333 . 136 LYS CB C 32.579 0.1 1 1334 . 136 LYS HB3 H 1.578 0.02 2 1335 . 136 LYS HG3 H 1.213 0.02 2 1336 . 136 LYS CE C 41.771 0.1 1 1337 . 136 LYS HE3 H 2.693 0.02 2 1338 . 136 LYS C C 178.036 0.1 1 1339 . 137 ARG N N 117.342 0.1 1 1340 . 137 ARG H H 7.475 0.02 1 1341 . 137 ARG CA C 59.215 0.1 1 1342 . 137 ARG HA H 3.890 0.02 1 1343 . 137 ARG CB C 31.651 0.1 1 1344 . 137 ARG HB3 H 1.759 0.02 2 1345 . 137 ARG CG C 28.038 0.1 1 1346 . 137 ARG HG2 H 1.593 0.02 2 1347 . 137 ARG HG3 H 1.430 0.02 2 1348 . 137 ARG CD C 43.486 0.1 1 1349 . 137 ARG HD2 H 3.120 0.02 2 1350 . 137 ARG HD3 H 3.211 0.02 2 1351 . 137 ARG C C 177.974 0.1 1 1352 . 138 LEU N N 115.043 0.1 1 1353 . 138 LEU H H 7.751 0.02 1 1354 . 138 LEU CA C 56.723 0.1 1 1355 . 138 LEU HA H 4.103 0.02 1 1356 . 138 LEU CB C 42.984 0.1 1 1357 . 138 LEU HB2 H 0.894 0.02 2 1358 . 138 LEU HB3 H 0.405 0.02 2 1359 . 138 LEU CG C 26.977 0.1 1 1360 . 138 LEU HG H 1.395 0.02 1 1361 . 138 LEU HD1 H 0.683 0.02 2 1362 . 138 LEU HD2 H 0.733 0.02 2 1363 . 138 LEU CD1 C 22.302 0.1 1 1364 . 138 LEU CD2 C 25.682 0.1 1 1365 . 138 LEU C C 179.280 0.1 1 1366 . 139 HIS N N 115.622 0.1 1 1367 . 139 HIS H H 8.025 0.02 1 1368 . 139 HIS CA C 56.750 0.1 1 1369 . 139 HIS HA H 5.009 0.02 1 1370 . 139 HIS CB C 34.174 0.1 1 1371 . 139 HIS HB2 H 2.261 0.02 2 1372 . 139 HIS HB3 H 3.187 0.02 2 1373 . 139 HIS C C 175.926 0.1 1 1374 . 140 LYS N N 122.165 0.1 1 1375 . 140 LYS H H 6.613 0.02 1 1376 . 140 LYS CA C 60.642 0.1 1 1377 . 140 LYS HA H 3.304 0.02 1 1378 . 140 LYS CB C 33.127 0.1 1 1379 . 140 LYS HB3 H 1.590 0.02 2 1380 . 140 LYS HG3 H 1.425 0.02 2 1381 . 140 LYS HD3 H 1.972 0.02 2 1382 . 140 LYS HE3 H 2.992 0.02 2 1383 . 140 LYS C C 176.857 0.1 1 1384 . 141 LYS N N 117.989 0.1 1 1385 . 141 LYS H H 8.179 0.02 1 1386 . 141 LYS CA C 60.751 0.1 1 1387 . 141 LYS HA H 3.907 0.02 1 1388 . 141 LYS CB C 32.217 0.1 1 1389 . 141 LYS HB3 H 1.768 0.02 2 1390 . 141 LYS CG C 25.483 0.1 1 1391 . 141 LYS HG3 H 1.337 0.02 2 1392 . 141 LYS CD C 29.691 0.1 1 1393 . 141 LYS HD2 H 1.644 0.02 2 1394 . 141 LYS HD3 H 1.686 0.02 2 1395 . 141 LYS CE C 42.467 0.1 1 1396 . 141 LYS HE3 H 2.997 0.02 2 1397 . 141 LYS C C 179.005 0.1 1 1398 . 142 LYS N N 119.210 0.1 1 1399 . 142 LYS H H 7.951 0.02 1 1400 . 142 LYS CA C 58.798 0.1 1 1401 . 142 LYS HA H 4.218 0.02 1 1402 . 142 LYS CB C 32.294 0.1 1 1403 . 142 LYS HB3 H 2.058 0.02 2 1404 . 142 LYS CG C 25.043 0.1 1 1405 . 142 LYS HG3 H 1.524 0.02 2 1406 . 142 LYS CE C 42.498 0.1 1 1407 . 142 LYS HE3 H 3.046 0.02 2 1408 . 142 LYS C C 179.693 0.1 1 1409 . 143 PHE N N 122.602 0.1 1 1410 . 143 PHE H H 8.643 0.02 1 1411 . 143 PHE CA C 62.908 0.1 1 1412 . 143 PHE HA H 4.107 0.02 1 1413 . 143 PHE CB C 39.419 0.1 1 1414 . 143 PHE HB2 H 3.089 0.02 2 1415 . 143 PHE HB3 H 3.718 0.02 2 1416 . 143 PHE CD1 C 132.405 0.1 1 1417 . 143 PHE HD1 H 7.654 0.02 1 1418 . 143 PHE HD2 H 7.654 0.02 1 1419 . 143 PHE C C 177.195 0.1 1 1420 . 144 ILE N N 119.207 0.1 1 1421 . 144 ILE H H 8.740 0.02 1 1422 . 144 ILE CA C 66.880 0.1 1 1423 . 144 ILE HA H 3.682 0.02 1 1424 . 144 ILE CB C 37.623 0.1 1 1425 . 144 ILE HB H 2.113 0.02 1 1426 . 144 ILE HG2 H 1.007 0.02 1 1427 . 144 ILE CG2 C 17.290 0.1 1 1428 . 144 ILE CG1 C 31.185 0.1 1 1429 . 144 ILE HG12 H 1.223 0.02 2 1430 . 144 ILE HG13 H 2.005 0.02 2 1431 . 144 ILE HD1 H 0.903 0.02 1 1432 . 144 ILE CD1 C 14.053 0.1 1 1433 . 144 ILE C C 177.619 0.1 1 1434 . 145 GLU N N 118.181 0.1 1 1435 . 145 GLU H H 8.063 0.02 1 1436 . 145 GLU CA C 60.005 0.1 1 1437 . 145 GLU HA H 4.018 0.02 1 1438 . 145 GLU CB C 29.700 0.1 1 1439 . 145 GLU HB3 H 2.143 0.02 2 1440 . 145 GLU CG C 36.591 0.1 1 1441 . 145 GLU HG2 H 2.332 0.02 2 1442 . 145 GLU HG3 H 2.490 0.02 2 1443 . 145 GLU C C 179.678 0.1 1 1444 . 146 THR N N 115.598 0.1 1 1445 . 146 THR H H 8.058 0.02 1 1446 . 146 THR CA C 66.650 0.1 1 1447 . 146 THR HA H 3.998 0.02 1 1448 . 146 THR CB C 69.358 0.1 1 1449 . 146 THR HB H 4.193 0.02 1 1450 . 146 THR HG2 H 1.192 0.02 1 1451 . 146 THR CG2 C 21.434 0.1 1 1452 . 146 THR C C 176.393 0.1 1 1453 . 147 PHE N N 122.988 0.1 1 1454 . 147 PHE H H 8.888 0.02 1 1455 . 147 PHE CA C 59.879 0.1 1 1456 . 147 PHE HA H 4.364 0.02 1 1457 . 147 PHE CB C 38.650 0.1 1 1458 . 147 PHE HB2 H 2.965 0.02 2 1459 . 147 PHE HB3 H 2.867 0.02 2 1460 . 147 PHE CD1 C 130.893 0.1 1 1461 . 147 PHE HD1 H 6.961 0.02 1 1462 . 147 PHE CE1 C 130.901 0.1 1 1463 . 147 PHE HE1 H 7.297 0.02 1 1464 . 147 PHE CZ C 130.171 0.1 1 1465 . 147 PHE HZ H 6.954 0.02 1 1466 . 147 PHE HE2 H 7.297 0.02 1 1467 . 147 PHE HD2 H 6.961 0.02 1 1468 . 147 PHE C C 177.939 0.1 1 1469 . 148 LYS N N 119.723 0.1 1 1470 . 148 LYS H H 8.681 0.02 1 1471 . 148 LYS CA C 60.471 0.1 1 1472 . 148 LYS HA H 3.852 0.02 1 1473 . 148 LYS CB C 32.807 0.1 1 1474 . 148 LYS HB3 H 1.908 0.02 2 1475 . 148 LYS CG C 26.488 0.1 1 1476 . 148 LYS HG3 H 1.495 0.02 2 1477 . 148 LYS CD C 30.172 0.1 1 1478 . 148 LYS HD3 H 1.706 0.02 2 1479 . 148 LYS CE C 42.346 0.1 1 1480 . 148 LYS HE3 H 3.013 0.02 2 1481 . 148 LYS C C 179.043 0.1 1 1482 . 149 LYS N N 118.844 0.1 1 1483 . 149 LYS H H 7.376 0.02 1 1484 . 149 LYS C C 179.372 0.1 1 1485 . 150 ILE N N 120.783 0.1 1 1486 . 150 ILE H H 7.971 0.02 1 1487 . 150 ILE CA C 65.630 0.1 1 1488 . 150 ILE HA H 3.791 0.02 1 1489 . 150 ILE CB C 38.573 0.1 1 1490 . 150 ILE HB H 1.935 0.02 1 1491 . 150 ILE HG2 H 0.886 0.02 1 1492 . 150 ILE CG2 C 17.127 0.1 1 1493 . 150 ILE CG1 C 29.243 0.1 1 1494 . 150 ILE HG12 H 1.175 0.02 2 1495 . 150 ILE HG13 H 1.807 0.02 2 1496 . 150 ILE HD1 H 0.872 0.02 1 1497 . 150 ILE CD1 C 13.810 0.1 1 1498 . 150 ILE C C 178.956 0.1 1 1499 . 151 MET N N 117.876 0.1 1 1500 . 151 MET H H 8.216 0.02 1 1501 . 151 MET CA C 56.716 0.1 1 1502 . 151 MET HA H 4.375 0.02 1 1503 . 151 MET CB C 31.398 0.1 1 1504 . 151 MET HB3 H 2.038 0.02 2 1505 . 151 MET CG C 32.306 0.1 1 1506 . 151 MET HG2 H 2.312 0.02 2 1507 . 151 MET HG3 H 2.617 0.02 2 1508 . 151 MET C C 179.250 0.1 1 1509 . 152 GLU N N 120.657 0.1 1 1510 . 152 GLU H H 8.117 0.02 1 1511 . 152 GLU CA C 59.311 0.1 1 1512 . 152 GLU HA H 4.095 0.02 1 1513 . 152 GLU CB C 29.505 0.1 1 1514 . 152 GLU HB3 H 2.188 0.02 2 1515 . 152 GLU CG C 36.635 0.1 1 1516 . 152 GLU HG2 H 2.301 0.02 2 1517 . 152 GLU HG3 H 2.477 0.02 2 1518 . 152 GLU C C 178.895 0.1 1 1519 . 153 CYS N N 116.765 0.1 1 1520 . 153 CYS H H 7.888 0.02 1 1521 . 153 CYS CA C 61.674 0.1 1 1522 . 153 CYS HA H 4.318 0.02 1 1523 . 153 CYS CB C 27.504 0.1 1 1524 . 153 CYS HB3 H 3.048 0.02 2 1525 . 153 CYS C C 175.979 0.1 1 1526 . 154 LYS N N 120.025 0.1 1 1527 . 154 LYS H H 7.838 0.02 1 1528 . 154 LYS CA C 58.143 0.1 1 1529 . 154 LYS HA H 4.214 0.02 1 1530 . 154 LYS CB C 32.770 0.1 1 1531 . 154 LYS HB3 H 1.925 0.02 2 1532 . 154 LYS CG C 25.282 0.1 1 1533 . 154 LYS HG3 H 1.537 0.02 2 1534 . 154 LYS CD C 29.409 0.1 1 1535 . 154 LYS HD3 H 1.693 0.02 2 1536 . 154 LYS CE C 42.439 0.1 1 1537 . 154 LYS HE3 H 2.979 0.02 2 1538 . 154 LYS C C 177.337 0.1 1 1539 . 155 LYS N N 118.388 0.1 1 1540 . 155 LYS H H 7.737 0.02 1 1541 . 155 LYS CA C 57.187 0.1 1 1542 . 155 LYS HA H 4.266 0.02 1 1543 . 155 LYS CB C 33.317 0.1 1 1544 . 155 LYS HB2 H 1.792 0.02 2 1545 . 155 LYS HB3 H 1.897 0.02 2 1546 . 155 LYS CG C 25.837 0.1 1 1547 . 155 LYS HG3 H 1.459 0.02 2 1548 . 155 LYS CD C 29.688 0.1 1 1549 . 155 LYS HD3 H 1.664 0.02 2 1550 . 155 LYS CE C 42.376 0.1 1 1551 . 155 LYS HE3 H 2.977 0.02 2 1552 . 155 LYS C C 176.633 0.1 1 1553 . 156 LYS N N 122.006 0.1 1 1554 . 156 LYS H H 7.899 0.02 1 1555 . 156 LYS C C 174.174 0.1 1 1556 . 157 PRO CD C 50.828 0.1 1 1557 . 157 PRO CA C 63.985 0.1 1 1558 . 157 PRO HA H 4.451 0.02 1 1559 . 157 PRO CB C 32.297 0.1 1 1560 . 157 PRO HB2 H 1.921 0.02 2 1561 . 157 PRO HB3 H 2.318 0.02 2 1562 . 157 PRO CG C 28.080 0.1 1 1563 . 157 PRO HG3 H 2.033 0.02 2 1564 . 157 PRO HD2 H 3.759 0.02 2 1565 . 157 PRO HD3 H 3.625 0.02 2 1566 . 157 PRO C C 177.438 0.1 1 1567 . 158 GLN N N 120.496 0.1 1 1568 . 158 GLN H H 8.577 0.02 1 1569 . 158 GLN CA C 56.501 0.1 1 1570 . 158 GLN HA H 4.367 0.02 1 1571 . 158 GLN CB C 29.812 0.1 1 1572 . 158 GLN HB2 H 2.036 0.02 2 1573 . 158 GLN HB3 H 2.154 0.02 2 1574 . 158 GLN CG C 34.230 0.1 1 1575 . 158 GLN HG2 H 2.227 0.02 2 1576 . 158 GLN HG3 H 2.433 0.02 2 1577 . 158 GLN C C 176.726 0.1 1 1578 . 159 GLY N N 110.270 0.1 1 1579 . 159 GLY H H 8.481 0.02 1 1580 . 159 GLY CA C 45.637 0.1 1 1581 . 159 GLY HA2 H 4.004 0.02 2 1582 . 159 GLY HA3 H 3.804 0.02 2 1583 . 159 GLY C C 174.304 0.1 1 1584 . 160 GLN N N 119.855 0.1 1 1585 . 160 GLN H H 8.374 0.02 1 1586 . 160 GLN CA C 56.276 0.1 1 1587 . 160 GLN HA H 4.394 0.02 1 1588 . 160 GLN CB C 29.904 0.1 1 1589 . 160 GLN HB2 H 2.004 0.02 2 1590 . 160 GLN HB3 H 2.179 0.02 2 1591 . 160 GLN CG C 34.286 0.1 1 1592 . 160 GLN HG2 H 2.359 0.02 2 1593 . 160 GLN HG3 H 2.378 0.02 2 1594 . 160 GLN C C 176.547 0.1 1 1595 . 161 GLY N N 110.177 0.1 1 1596 . 161 GLY H H 8.537 0.02 1 1597 . 161 GLY CA C 45.878 0.1 1 1598 . 161 GLY HA3 H 3.974 0.02 2 1599 . 161 GLY C C 173.989 0.1 1 1600 . 162 ASN N N 118.851 0.1 1 1601 . 162 ASN H H 8.368 0.02 1 1602 . 162 ASN CA C 53.638 0.1 1 1603 . 162 ASN HA H 4.714 0.02 1 1604 . 162 ASN CB C 39.401 0.1 1 1605 . 162 ASN HB3 H 2.690 0.02 2 1606 . 162 ASN C C 174.991 0.1 1 1607 . 163 ASP N N 120.695 0.1 1 1608 . 163 ASP H H 8.368 0.02 1 1609 . 163 ASP CA C 54.741 0.1 1 1610 . 163 ASP HA H 4.656 0.02 1 1611 . 163 ASP CB C 41.774 0.1 1 1612 . 163 ASP HB3 H 2.625 0.02 2 1613 . 163 ASP C C 175.490 0.1 1 1614 . 164 ASP N N 119.610 0.1 1 1615 . 164 ASP H H 8.239 0.02 1 1616 . 164 ASP C C 177.166 0.1 1 1617 . 165 ILE HA H 4.073 0.02 1 1618 . 165 ILE CB C 38.630 0.1 1 1619 . 165 ILE HB H 1.866 0.02 1 1620 . 165 ILE HG2 H 0.904 0.02 1 1621 . 165 ILE CG2 C 18.261 0.1 1 1622 . 165 ILE HD1 H 0.642 0.02 1 1623 . 165 ILE CD1 C 13.729 0.1 1 1624 . 167 HIS HA H 4.705 0.02 1 1625 . 167 HIS CB C 30.537 0.1 1 1626 . 167 HIS HB2 H 3.164 0.02 2 1627 . 167 HIS HB3 H 3.304 0.02 2 1628 . 167 HIS CD2 C 120.201 0.1 1 1629 . 167 HIS CE1 C 139.106 0.1 1 1630 . 167 HIS HD2 H 7.189 0.02 1 1631 . 167 HIS HE1 H 7.771 0.02 1 1632 . 168 VAL N N 117.637 0.1 1 1633 . 168 VAL H H 7.867 0.02 1 1634 . 168 VAL CA C 63.321 0.1 1 1635 . 168 VAL HA H 4.208 0.02 1 1636 . 168 VAL CB C 33.302 0.1 1 1637 . 168 VAL HB H 2.072 0.02 1 1638 . 168 VAL HG2 H 0.941 0.02 2 1639 . 168 VAL CG2 C 21.174 0.1 1 1640 . 169 LEU N N 124.012 0.1 1 1641 . 169 LEU H H 8.432 0.02 1 1642 . 169 LEU CA C 54.815 0.1 1 1643 . 169 LEU HA H 4.492 0.02 1 1644 . 169 LEU CB C 41.220 0.1 1 1645 . 169 LEU HB2 H 1.506 0.02 2 1646 . 169 LEU HB3 H 1.896 0.02 2 1647 . 169 LEU HD2 H 0.677 0.02 2 1648 . 169 LEU CD2 C 23.416 0.1 1 1649 . 170 ARG N N 119.167 0.1 1 1650 . 170 ARG H H 7.973 0.02 1 1651 . 171 GLU CA C 56.699 0.1 1 1652 . 171 GLU HA H 4.295 0.02 1 1653 . 171 GLU CB C 30.788 0.1 1 1654 . 171 GLU HB2 H 2.039 0.02 2 1655 . 171 GLU HB3 H 1.867 0.02 2 1656 . 171 GLU CG C 36.541 0.1 1 1657 . 171 GLU HG3 H 2.201 0.02 2 1658 . 171 GLU C C 176.142 0.1 1 1659 . 172 ASP N N 121.640 0.1 1 1660 . 172 ASP H H 8.532 0.02 1 1661 . 172 ASP CA C 54.756 0.1 1 1662 . 172 ASP HA H 4.636 0.02 1 1663 . 172 ASP CB C 41.399 0.1 1 1664 . 172 ASP HB3 H 2.730 0.02 2 1665 . 172 ASP C C 175.329 0.1 1 1666 . 173 GLN N N 124.957 0.1 1 1667 . 173 GLN H H 7.875 0.02 1 1668 . 173 GLN C C 180.626 0.1 1 stop_ save_