data_15295 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Solution structure At3g28950.1 from Arabidopsis thaliana ; _BMRB_accession_number 15295 _BMRB_flat_file_name bmr15295.str _Entry_type original _Submission_date 2007-06-07 _Accession_date 2007-06-07 _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 'de la Cruz' N. B. . 3 Peterson F. C. . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 769 "13C chemical shifts" 612 "15N chemical shifts" 149 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2008-07-03 update BMRB 'complete entry citation' 2007-08-15 original author 'original release' stop_ save_ ############################# # Citation for this entry # ############################# save_citations _Saveframe_category entry_citation _Citation_full . _Citation_title 'Solution structure of At3g28950 from Arabidopsis thaliana' _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 18214976 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 'de la Cruz' N. B. . 2 Peterson F. C. . 3 Volkman B. F. . stop_ _Journal_abbreviation Proteins _Journal_volume 71 _Journal_issue 2 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 546 _Page_last 551 _Year 2008 _Details . save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name At3g28950.1 _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label At3g28950.1 $At3g28950.1 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_At3g28950.1 _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common At3g28950.1 _Molecular_mass 18603.959 _Mol_thiol_state 'all free' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 165 _Mol_residue_sequence ; STSSDPQSHNVFVYGSILEP AVAAVILDRTADTVPAVLHG YHRYKLKGLPYPCIVSSDSG KVNGKVITGVSDAELNNFDV IEGNDYERVTVEVVRMDNSE KVKVETYVWVNKDDPRMYGE WDFEEWRVVHAEKFVETFRK MLEWNKNPNGKSMEEAVGSL LSSGD ; loop_ _Residue_seq_code _Residue_label 1 SER 2 THR 3 SER 4 SER 5 ASP 6 PRO 7 GLN 8 SER 9 HIS 10 ASN 11 VAL 12 PHE 13 VAL 14 TYR 15 GLY 16 SER 17 ILE 18 LEU 19 GLU 20 PRO 21 ALA 22 VAL 23 ALA 24 ALA 25 VAL 26 ILE 27 LEU 28 ASP 29 ARG 30 THR 31 ALA 32 ASP 33 THR 34 VAL 35 PRO 36 ALA 37 VAL 38 LEU 39 HIS 40 GLY 41 TYR 42 HIS 43 ARG 44 TYR 45 LYS 46 LEU 47 LYS 48 GLY 49 LEU 50 PRO 51 TYR 52 PRO 53 CYS 54 ILE 55 VAL 56 SER 57 SER 58 ASP 59 SER 60 GLY 61 LYS 62 VAL 63 ASN 64 GLY 65 LYS 66 VAL 67 ILE 68 THR 69 GLY 70 VAL 71 SER 72 ASP 73 ALA 74 GLU 75 LEU 76 ASN 77 ASN 78 PHE 79 ASP 80 VAL 81 ILE 82 GLU 83 GLY 84 ASN 85 ASP 86 TYR 87 GLU 88 ARG 89 VAL 90 THR 91 VAL 92 GLU 93 VAL 94 VAL 95 ARG 96 MET 97 ASP 98 ASN 99 SER 100 GLU 101 LYS 102 VAL 103 LYS 104 VAL 105 GLU 106 THR 107 TYR 108 VAL 109 TRP 110 VAL 111 ASN 112 LYS 113 ASP 114 ASP 115 PRO 116 ARG 117 MET 118 TYR 119 GLY 120 GLU 121 TRP 122 ASP 123 PHE 124 GLU 125 GLU 126 TRP 127 ARG 128 VAL 129 VAL 130 HIS 131 ALA 132 GLU 133 LYS 134 PHE 135 VAL 136 GLU 137 THR 138 PHE 139 ARG 140 LYS 141 MET 142 LEU 143 GLU 144 TRP 145 ASN 146 LYS 147 ASN 148 PRO 149 ASN 150 GLY 151 LYS 152 SER 153 MET 154 GLU 155 GLU 156 ALA 157 VAL 158 GLY 159 SER 160 LEU 161 LEU 162 SER 163 SER 164 GLY 165 ASP stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2014-03-05 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 2JQV "Solution Structure At3g28950.1 From Arabidopsis Thaliana" 100.00 165 100.00 100.00 9.49e-117 DBJ BAA95746 "AIG2 protein-like [Arabidopsis thaliana]" 99.39 165 100.00 100.00 4.29e-116 DBJ BAE99955 "AIG2-like protein [Arabidopsis thaliana]" 99.39 165 100.00 100.00 4.29e-116 GB AAM64749 "AIG2-like protein [Arabidopsis thaliana]" 99.39 165 99.39 100.00 1.54e-115 GB AAO42842 "At3g28950 [Arabidopsis thaliana]" 99.39 165 100.00 100.00 4.29e-116 GB AEE77512 "AIG2-like protein [Arabidopsis thaliana]" 99.39 165 100.00 100.00 4.29e-116 REF NP_189537 "AIG2-like protein [Arabidopsis thaliana]" 99.39 165 100.00 100.00 4.29e-116 stop_ save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species _Gene_mnemonic $At3g28950.1 'Thale cress' 3702 Eukaryota Viridiplantae Arabidopsis thaliana At3g28950.1 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 $At3g28950.1 'recombinant technology' . Escherichia coli 'B834 P(RARE2)' pVP13 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample _Saveframe_category sample _Sample_type solution _Details '0.75 mM At3g28950.1 U-15N/13C, 10 mM MOPS, 100 mM sodium chloride, 5 mM DTT' loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $At3g28950.1 0.75 mM '[U-100% 13C; U-100% 15N]' MOPS 10 mM 'natural abundance' 'sodium chloride' 100 mM 'natural abundance' DTT 5 mM 'natural abundance' stop_ save_ ############################ # Computer software used # ############################ save_Xplor-NIH _Saveframe_category software _Name 'X-PLOR NIH' _Version 2.9.3 loop_ _Vendor _Address _Electronic_address SCHWIETERS,C.D.,KUSZEWSKI,J.J.,TJANDRA,N.,CLORE,G.M. . . stop_ loop_ _Task refinement stop_ _Details . save_ save_XWINNMR _Saveframe_category software _Name xwinnmr _Version 3.5 loop_ _Vendor _Address _Electronic_address Bruker . . stop_ loop_ _Task collection stop_ _Details . save_ save_nmrPipe _Saveframe_category software _Name NMRPipe _Version 2004 loop_ _Vendor _Address _Electronic_address 'Delagio,F. et al.' . . stop_ loop_ _Task processing stop_ _Details . save_ save_XEASY _Saveframe_category software _Name XEASY _Version 1.3 loop_ _Vendor _Address _Electronic_address 'Eccles, C., Guntert, P., Billeter, M., Wuthrich, K.' . . stop_ loop_ _Task 'data analysis' stop_ _Details . save_ save_SPSCAN _Saveframe_category software _Name SPSCAN _Version 1.1.0 loop_ _Vendor _Address _Electronic_address 'R.W. Glaser' . . stop_ loop_ _Task 'data analysis' stop_ _Details . save_ save_GARANT _Saveframe_category software _Name GARANT _Version 2.1 loop_ _Vendor _Address _Electronic_address 'C. Bartels' . . stop_ loop_ _Task 'data analysis' stop_ _Details . save_ save_Cyana _Saveframe_category software _Name CYANA _Version 2.1 loop_ _Vendor _Address _Electronic_address 'Guntert, P.' . . stop_ loop_ _Task 'structural calculation' stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model DRX _Field_strength 600 _Details . save_ ############################# # NMR applied experiments # ############################# save_3D_15N-separated_NOESY_1 _Saveframe_category NMR_applied_experiment _Experiment_name 3D_15N-separated_NOESY _Sample_label $sample save_ save_3D_13C-separated_NOESY_2 _Saveframe_category NMR_applied_experiment _Experiment_name 3D_13C-separated_NOESY _Sample_label $sample save_ save_3D_13C-separated_NOESY_(AROMATIC)_3 _Saveframe_category NMR_applied_experiment _Experiment_name '3D_13C-separated_NOESY (AROMATIC)' _Sample_label $sample save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units 'ionic strength' 100 . mM pH 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 . indirect . . . 0.251449530 DSS H 1 'methyl protons' ppm 0.00 internal direct . . . 1.000000000 DSS N 15 'methyl protons' ppm 0.00 . indirect . . . 0.101329118 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chem_shift_list_1 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Software_label $Xplor-NIH $XEASY $Cyana stop_ loop_ _Experiment_label 3D_15N-separated_NOESY 3D_13C-separated_NOESY '3D_13C-separated_NOESY (AROMATIC)' stop_ loop_ _Sample_label $sample stop_ _Sample_conditions_label $sample_conditions_1 _Chem_shift_reference_set_label $chemical_shift_reference_1 _Mol_system_component_name At3g28950.1 _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 6 6 PRO HA H 4.471 0.02 1 2 6 6 PRO HB2 H 2.353 0.02 2 3 6 6 PRO HB3 H 1.968 0.02 2 4 6 6 PRO HD2 H 3.895 0.02 2 5 6 6 PRO HD3 H 3.781 0.02 2 6 6 6 PRO HG2 H 2.316 0.02 2 7 6 6 PRO HG3 H 2.078 0.02 2 8 6 6 PRO C C 177.099 0.1 1 9 6 6 PRO CA C 63.870 0.1 1 10 6 6 PRO CB C 33.852 0.1 1 11 6 6 PRO CD C 50.927 0.1 1 12 6 6 PRO CG C 27.954 0.1 1 13 7 7 GLN H H 8.547 0.02 1 14 7 7 GLN HA H 4.323 0.02 1 15 7 7 GLN HB2 H 2.048 0.02 2 16 7 7 GLN HB3 H 2.004 0.02 2 17 7 7 GLN HG2 H 2.358 0.02 2 18 7 7 GLN HG3 H 2.358 0.02 2 19 7 7 GLN C C 175.388 0.1 1 20 7 7 GLN CA C 55.696 0.1 1 21 7 7 GLN CB C 29.957 0.1 1 22 7 7 GLN CG C 34.102 0.1 1 23 7 7 GLN N N 120.433 0.1 1 24 8 8 SER H H 7.894 0.02 1 25 8 8 SER HA H 4.557 0.02 1 26 8 8 SER HB2 H 3.705 0.02 2 27 8 8 SER HB3 H 3.620 0.02 2 28 8 8 SER C C 173.176 0.1 1 29 8 8 SER CA C 57.629 0.1 1 30 8 8 SER CB C 65.480 0.1 1 31 8 8 SER N N 115.657 0.1 1 32 9 9 HIS H H 9.422 0.02 1 33 9 9 HIS HA H 4.815 0.02 1 34 9 9 HIS HB2 H 2.762 0.02 2 35 9 9 HIS HB3 H 2.844 0.02 2 36 9 9 HIS HE1 H 7.896 0.02 1 37 9 9 HIS C C 173.353 0.1 1 38 9 9 HIS CA C 55.134 0.1 1 39 9 9 HIS CB C 31.586 0.1 1 40 9 9 HIS CE1 C 139.527 0.1 1 41 9 9 HIS N N 119.990 0.1 1 42 10 10 ASN H H 9.017 0.02 1 43 10 10 ASN HA H 5.737 0.02 1 44 10 10 ASN HB2 H 2.948 0.02 2 45 10 10 ASN HB3 H 2.282 0.02 2 46 10 10 ASN C C 173.353 0.1 1 47 10 10 ASN CA C 52.078 0.1 1 48 10 10 ASN CB C 42.181 0.1 1 49 10 10 ASN N N 119.948 0.1 1 50 11 11 VAL H H 8.967 0.02 1 51 11 11 VAL HA H 4.890 0.02 1 52 11 11 VAL HB H 1.556 0.02 1 53 11 11 VAL HG1 H 0.397 0.02 2 54 11 11 VAL HG2 H 0.417 0.02 2 55 11 11 VAL C C 175.147 0.1 1 56 11 11 VAL CA C 60.748 0.1 1 57 11 11 VAL CB C 35.494 0.1 1 58 11 11 VAL CG1 C 20.518 0.1 1 59 11 11 VAL CG2 C 21.165 0.1 1 60 11 11 VAL N N 123.091 0.1 1 61 12 12 PHE H H 9.495 0.02 1 62 12 12 PHE HA H 5.344 0.02 1 63 12 12 PHE HB2 H 2.738 0.02 2 64 12 12 PHE HB3 H 2.656 0.02 2 65 12 12 PHE HD1 H 6.996 0.02 1 66 12 12 PHE HD2 H 6.996 0.02 1 67 12 12 PHE HE1 H 6.877 0.02 1 68 12 12 PHE HE2 H 6.877 0.02 1 69 12 12 PHE C C 174.372 0.1 1 70 12 12 PHE CA C 56.631 0.1 1 71 12 12 PHE CB C 41.967 0.1 1 72 12 12 PHE CD1 C 131.817 0.1 1 73 12 12 PHE CE1 C 131.410 0.1 1 74 12 12 PHE N N 127.963 0.1 1 75 13 13 VAL H H 8.929 0.02 1 76 13 13 VAL C C 173.755 0.1 1 77 13 13 VAL CA C 58.915 0.1 1 78 13 13 VAL N N 122.205 0.1 1 79 17 17 ILE H H 7.421 0.02 1 80 17 17 ILE HA H 3.783 0.02 1 81 17 17 ILE HB H 1.464 0.02 1 82 17 17 ILE HD1 H 0.604 0.02 1 83 17 17 ILE HG12 H 1.887 0.02 2 84 17 17 ILE HG13 H 0.665 0.02 2 85 17 17 ILE HG2 H 1.091 0.02 1 86 17 17 ILE C C 174.891 0.1 1 87 17 17 ILE CA C 62.575 0.1 1 88 17 17 ILE CB C 38.097 0.1 1 89 17 17 ILE CD1 C 13.552 0.1 1 90 17 17 ILE CG1 C 30.380 0.1 1 91 17 17 ILE CG2 C 19.871 0.1 1 92 17 17 ILE N N 119.326 0.1 1 93 18 18 LEU H H 7.768 0.02 1 94 18 18 LEU HA H 3.570 0.02 1 95 18 18 LEU HB2 H 1.773 0.02 2 96 18 18 LEU HB3 H 1.682 0.02 2 97 18 18 LEU HD1 H 0.657 0.02 2 98 18 18 LEU HD2 H 0.553 0.02 2 99 18 18 LEU HG H 1.224 0.02 1 100 18 18 LEU C C 178.799 0.1 1 101 18 18 LEU CA C 56.818 0.1 1 102 18 18 LEU CB C 42.515 0.1 1 103 18 18 LEU CD1 C 25.690 0.1 1 104 18 18 LEU CD2 C 24.072 0.1 1 105 18 18 LEU CG C 27.307 0.1 1 106 18 18 LEU N N 117.775 0.1 1 107 19 19 GLU H H 8.209 0.02 1 108 19 19 GLU C C 175.550 0.1 1 109 19 19 GLU CA C 53.355 0.1 1 110 19 19 GLU CB C 30.459 0.1 1 111 19 19 GLU N N 123.312 0.1 1 112 20 20 PRO HA H 4.360 0.02 1 113 20 20 PRO HB2 H 2.484 0.02 2 114 20 20 PRO HB3 H 2.135 0.02 2 115 20 20 PRO HD2 H 3.960 0.02 2 116 20 20 PRO HD3 H 3.852 0.02 2 117 20 20 PRO HG2 H 2.306 0.02 2 118 20 20 PRO HG3 H 2.011 0.02 2 119 20 20 PRO C C 179.431 0.1 1 120 20 20 PRO CA C 66.611 0.1 1 121 20 20 PRO CB C 32.484 0.1 1 122 20 20 PRO CD C 51.574 0.1 1 123 20 20 PRO CG C 27.954 0.1 1 124 21 21 ALA H H 9.396 0.02 1 125 21 21 ALA HA H 4.329 0.02 1 126 21 21 ALA HB H 1.419 0.02 1 127 21 21 ALA C C 180.328 0.1 1 128 21 21 ALA CA C 55.509 0.1 1 129 21 21 ALA CB C 19.635 0.1 1 130 21 21 ALA N N 119.104 0.1 1 131 22 22 VAL H H 7.768 0.02 1 132 22 22 VAL HA H 3.766 0.02 1 133 22 22 VAL HB H 2.758 0.02 1 134 22 22 VAL HG1 H 1.162 0.02 2 135 22 22 VAL HG2 H 0.972 0.02 2 136 22 22 VAL C C 177.958 0.1 1 137 22 22 VAL CA C 66.112 0.1 1 138 22 22 VAL CB C 31.683 0.1 1 139 22 22 VAL CG1 C 23.748 0.1 1 140 22 22 VAL CG2 C 23.752 0.1 1 141 22 22 VAL N N 117.766 0.1 1 142 23 23 ALA H H 7.825 0.02 1 143 23 23 ALA HA H 3.905 0.02 1 144 23 23 ALA HB H 1.600 0.02 1 145 23 23 ALA C C 179.211 0.1 1 146 23 23 ALA CA C 56.444 0.1 1 147 23 23 ALA CB C 17.606 0.1 1 148 23 23 ALA N N 121.000 0.1 1 149 24 24 ALA H H 8.259 0.02 1 150 24 24 ALA HA H 4.455 0.02 1 151 24 24 ALA HB H 1.465 0.02 1 152 24 24 ALA C C 181.106 0.1 1 153 24 24 ALA CA C 54.823 0.1 1 154 24 24 ALA CB C 18.604 0.1 1 155 24 24 ALA N N 115.851 0.1 1 156 25 25 VAL H H 7.452 0.02 1 157 25 25 VAL HA H 4.036 0.02 1 158 25 25 VAL HB H 2.453 0.02 1 159 25 25 VAL HG1 H 1.375 0.02 2 160 25 25 VAL HG2 H 1.159 0.02 2 161 25 25 VAL C C 176.657 0.1 1 162 25 25 VAL CA C 65.114 0.1 1 163 25 25 VAL CB C 32.495 0.1 1 164 25 25 VAL CG1 C 23.383 0.1 1 165 25 25 VAL CG2 C 21.813 0.1 1 166 25 25 VAL N N 117.332 0.1 1 167 26 26 ILE H H 7.182 0.02 1 168 26 26 ILE HA H 3.595 0.02 1 169 26 26 ILE HB H 1.596 0.02 1 170 26 26 ILE HD1 H 0.152 0.02 1 171 26 26 ILE HG12 H 0.750 0.02 2 172 26 26 ILE HG13 H 1.701 0.02 2 173 26 26 ILE HG2 H 0.512 0.02 1 174 26 26 ILE C C 176.843 0.1 1 175 26 26 ILE CA C 64.178 0.1 1 176 26 26 ILE CB C 38.753 0.1 1 177 26 26 ILE CD1 C 17.283 0.1 1 178 26 26 ILE CG1 C 28.925 0.1 1 179 26 26 ILE CG2 C 15.018 0.1 1 180 26 26 ILE N N 118.122 0.1 1 181 27 27 LEU H H 7.881 0.02 1 182 27 27 LEU HA H 4.257 0.02 1 183 27 27 LEU HB2 H 1.874 0.02 2 184 27 27 LEU HB3 H 1.566 0.02 2 185 27 27 LEU HD1 H 0.948 0.02 2 186 27 27 LEU HG H 1.706 0.02 1 187 27 27 LEU C C 176.572 0.1 1 188 27 27 LEU CA C 55.509 0.1 1 189 27 27 LEU CB C 43.845 0.1 1 190 27 27 LEU CD1 C 26.337 0.1 1 191 27 27 LEU CD2 C 26.456 0.1 1 192 27 27 LEU CG C 27.307 0.1 1 193 27 27 LEU N N 115.782 0.1 1 194 28 28 ASP H H 8.311 0.02 1 195 28 28 ASP HA H 4.499 0.02 1 196 28 28 ASP HB2 H 3.130 0.02 2 197 28 28 ASP HB3 H 2.516 0.02 2 198 28 28 ASP C C 174.542 0.1 1 199 28 28 ASP CA C 55.696 0.1 1 200 28 28 ASP CB C 40.794 0.1 1 201 28 28 ASP N N 118.204 0.1 1 202 29 29 ARG H H 7.512 0.02 1 203 29 29 ARG HA H 4.588 0.02 1 204 29 29 ARG HB2 H 2.174 0.02 2 205 29 29 ARG HB3 H 1.745 0.02 2 206 29 29 ARG HG2 H 1.047 0.02 2 207 29 29 ARG HG3 H 1.047 0.02 2 208 29 29 ARG C C 174.356 0.1 1 209 29 29 ARG CA C 54.885 0.1 1 210 29 29 ARG CB C 30.708 0.1 1 211 29 29 ARG CD C 43.784 0.1 1 212 29 29 ARG CG C 26.087 0.1 1 213 29 29 ARG N N 110.453 0.1 1 214 30 30 THR H H 8.481 0.02 1 215 30 30 THR HA H 4.271 0.02 1 216 30 30 THR HB H 4.106 0.02 1 217 30 30 THR HG2 H 1.255 0.02 1 218 30 30 THR C C 174.289 0.1 1 219 30 30 THR CA C 62.993 0.1 1 220 30 30 THR CB C 69.041 0.1 1 221 30 30 THR CG2 C 22.400 0.1 1 222 30 30 THR N N 115.021 0.1 1 223 31 31 ALA H H 8.468 0.02 1 224 31 31 ALA HA H 4.402 0.02 1 225 31 31 ALA HB H 1.316 0.02 1 226 31 31 ALA C C 176.715 0.1 1 227 31 31 ALA CA C 51.517 0.1 1 228 31 31 ALA CB C 21.326 0.1 1 229 31 31 ALA N N 130.178 0.1 1 230 32 32 ASP H H 8.789 0.02 1 231 32 32 ASP HA H 4.769 0.02 1 232 32 32 ASP HB3 H 2.644 0.02 2 233 32 32 ASP C C 175.506 0.1 1 234 32 32 ASP CA C 55.072 0.1 1 235 32 32 ASP CB C 41.764 0.1 1 236 32 32 ASP N N 124.198 0.1 1 237 33 33 THR H H 8.159 0.02 1 238 33 33 THR HA H 5.795 0.02 1 239 33 33 THR HB H 3.871 0.02 1 240 33 33 THR HG2 H 1.094 0.02 1 241 33 33 THR C C 175.743 0.1 1 242 33 33 THR CA C 59.340 0.1 1 243 33 33 THR CB C 73.247 0.1 1 244 33 33 THR CG2 C 22.460 0.1 1 245 33 33 THR N N 112.003 0.1 1 246 34 34 VAL H H 6.979 0.02 1 247 34 34 VAL N N 113.304 0.1 1 248 35 35 PRO HA H 4.935 0.02 1 249 35 35 PRO HB2 H 2.136 0.02 2 250 35 35 PRO HB3 H 2.469 0.02 2 251 35 35 PRO HD2 H 3.958 0.02 2 252 35 35 PRO HD3 H 3.859 0.02 2 253 35 35 PRO HG2 H 2.070 0.02 2 254 35 35 PRO HG3 H 2.246 0.02 2 255 35 35 PRO C C 176.634 0.1 1 256 35 35 PRO CA C 63.555 0.1 1 257 35 35 PRO CB C 32.808 0.1 1 258 35 35 PRO CD C 51.251 0.1 1 259 35 35 PRO CG C 28.210 0.1 1 260 36 36 ALA H H 8.604 0.02 1 261 36 36 ALA HA H 5.247 0.02 1 262 36 36 ALA HB H 1.234 0.02 1 263 36 36 ALA C C 174.257 0.1 1 264 36 36 ALA CA C 51.898 0.1 1 265 36 36 ALA CB C 24.625 0.1 1 266 36 36 ALA N N 123.977 0.1 1 267 37 37 VAL H H 8.760 0.02 1 268 37 37 VAL HA H 4.916 0.02 1 269 37 37 VAL HB H 1.898 0.02 1 270 37 37 VAL HG1 H 0.868 0.02 2 271 37 37 VAL HG2 H 0.581 0.02 2 272 37 37 VAL C C 173.257 0.1 1 273 37 37 VAL CA C 60.561 0.1 1 274 37 37 VAL CB C 35.672 0.1 1 275 37 37 VAL CG1 C 21.048 0.1 1 276 37 37 VAL CG2 C 20.842 0.1 1 277 37 37 VAL N N 119.547 0.1 1 278 38 38 LEU H H 8.796 0.02 1 279 38 38 LEU HA H 4.552 0.02 1 280 38 38 LEU HB2 H 0.301 0.02 2 281 38 38 LEU HB3 H 1.592 0.02 2 282 38 38 LEU HD1 H 0.653 0.02 2 283 38 38 LEU HD2 H -0.019 0.02 2 284 38 38 LEU HG H 1.227 0.02 1 285 38 38 LEU C C 175.050 0.1 1 286 38 38 LEU CA C 53.192 0.1 1 287 38 38 LEU CB C 43.965 0.1 1 288 38 38 LEU CD1 C 22.460 0.1 1 289 38 38 LEU CD2 C 26.660 0.1 1 290 38 38 LEU CG C 26.984 0.1 1 291 38 38 LEU N N 128.849 0.1 1 292 39 39 HIS H H 9.369 0.02 1 293 39 39 HIS HA H 4.816 0.02 1 294 39 39 HIS HB2 H 3.218 0.02 2 295 39 39 HIS HB3 H 3.079 0.02 2 296 39 39 HIS HD2 H 6.721 0.02 1 297 39 39 HIS HE1 H 6.666 0.02 1 298 39 39 HIS C C 176.589 0.1 1 299 39 39 HIS CA C 57.567 0.1 1 300 39 39 HIS CB C 31.837 0.1 1 301 39 39 HIS CD2 C 117.405 0.1 1 302 39 39 HIS CE1 C 133.302 0.1 1 303 39 39 HIS N N 128.185 0.1 1 304 40 40 GLY H H 8.882 0.02 1 305 40 40 GLY HA2 H 4.161 0.02 2 306 40 40 GLY HA3 H 3.921 0.02 2 307 40 40 GLY C C 174.966 0.1 1 308 40 40 GLY CA C 46.215 0.1 1 309 40 40 GLY N N 108.847 0.1 1 310 41 41 TYR H H 7.200 0.02 1 311 41 41 TYR HA H 4.274 0.02 1 312 41 41 TYR HB2 H 2.486 0.02 2 313 41 41 TYR HB3 H 2.209 0.02 2 314 41 41 TYR HD1 H 6.665 0.02 1 315 41 41 TYR HD2 H 6.665 0.02 1 316 41 41 TYR C C 171.853 0.1 1 317 41 41 TYR CA C 57.255 0.1 1 318 41 41 TYR CB C 44.524 0.1 1 319 41 41 TYR CD1 C 134.915 0.1 1 320 41 41 TYR N N 117.997 0.1 1 321 42 42 HIS H H 8.273 0.02 1 322 42 42 HIS HA H 4.650 0.02 1 323 42 42 HIS HB2 H 2.691 0.02 2 324 42 42 HIS HB3 H 2.622 0.02 2 325 42 42 HIS HD2 H 7.355 0.02 1 326 42 42 HIS HE1 H 6.276 0.02 1 327 42 42 HIS C C 172.191 0.1 1 328 42 42 HIS CA C 55.010 0.1 1 329 42 42 HIS CB C 35.446 0.1 1 330 42 42 HIS CD2 C 120.419 0.1 1 331 42 42 HIS CE1 C 130.829 0.1 1 332 42 42 HIS N N 116.045 0.1 1 333 43 43 ARG H H 7.712 0.02 1 334 43 43 ARG HA H 5.063 0.02 1 335 43 43 ARG HB2 H 2.408 0.02 2 336 43 43 ARG HB3 H 1.142 0.02 2 337 43 43 ARG C C 174.032 0.1 1 338 43 43 ARG CA C 54.324 0.1 1 339 43 43 ARG CB C 31.138 0.1 1 340 43 43 ARG CD C 45.504 0.1 1 341 43 43 ARG CG C 26.722 0.1 1 342 43 43 ARG N N 126.634 0.1 1 343 44 44 TYR H H 8.381 0.02 1 344 44 44 TYR HA H 4.398 0.02 1 345 44 44 TYR HB2 H 2.500 0.02 2 346 44 44 TYR HB3 H 3.515 0.02 2 347 44 44 TYR HD1 H 7.070 0.02 1 348 44 44 TYR HD2 H 7.070 0.02 1 349 44 44 TYR HE1 H 6.766 0.02 1 350 44 44 TYR HE2 H 6.766 0.02 1 351 44 44 TYR C C 177.791 0.1 1 352 44 44 TYR CA C 60.062 0.1 1 353 44 44 TYR CB C 41.495 0.1 1 354 44 44 TYR CD1 C 134.744 0.1 1 355 44 44 TYR CE1 C 118.629 0.1 1 356 44 44 TYR N N 128.406 0.1 1 357 45 45 LYS H H 7.896 0.02 1 358 45 45 LYS HA H 4.214 0.02 1 359 45 45 LYS HB2 H 1.551 0.02 2 360 45 45 LYS HB3 H 0.913 0.02 2 361 45 45 LYS HD2 H 1.727 0.02 2 362 45 45 LYS HD3 H 1.727 0.02 2 363 45 45 LYS HG2 H 1.392 0.02 2 364 45 45 LYS HG3 H 1.392 0.02 2 365 45 45 LYS C C 175.099 0.1 1 366 45 45 LYS CA C 56.818 0.1 1 367 45 45 LYS CB C 34.426 0.1 1 368 45 45 LYS CD C 30.543 0.1 1 369 45 45 LYS CE C 42.678 0.1 1 370 45 45 LYS CG C 27.631 0.1 1 371 45 45 LYS N N 115.339 0.1 1 372 46 46 LEU H H 8.850 0.02 1 373 46 46 LEU HA H 4.782 0.02 1 374 46 46 LEU HB2 H 1.512 0.02 2 375 46 46 LEU HB3 H 0.860 0.02 2 376 46 46 LEU HD1 H 0.107 0.02 2 377 46 46 LEU HD2 H 0.003 0.02 2 378 46 46 LEU HG H 0.971 0.02 1 379 46 46 LEU C C 177.969 0.1 1 380 46 46 LEU CA C 52.764 0.1 1 381 46 46 LEU CB C 47.468 0.1 1 382 46 46 LEU CD1 C 25.042 0.1 1 383 46 46 LEU CD2 C 26.013 0.1 1 384 46 46 LEU CG C 25.514 0.1 1 385 46 46 LEU N N 120.433 0.1 1 386 47 47 LYS H H 9.410 0.02 1 387 47 47 LYS HA H 4.214 0.02 1 388 47 47 LYS HB2 H 1.799 0.02 2 389 47 47 LYS HB3 H 1.799 0.02 2 390 47 47 LYS HD2 H 1.568 0.02 2 391 47 47 LYS HD3 H 1.360 0.02 2 392 47 47 LYS HE2 H 2.716 0.02 2 393 47 47 LYS HE3 H 2.618 0.02 2 394 47 47 LYS HG2 H 1.568 0.02 2 395 47 47 LYS HG3 H 1.360 0.02 2 396 47 47 LYS C C 176.927 0.1 1 397 47 47 LYS CA C 58.752 0.1 1 398 47 47 LYS CB C 32.937 0.1 1 399 47 47 LYS CD C 29.572 0.1 1 400 47 47 LYS CE C 42.191 0.1 1 401 47 47 LYS CG C 25.366 0.1 1 402 47 47 LYS N N 126.191 0.1 1 403 48 48 GLY H H 8.832 0.02 1 404 48 48 GLY HA2 H 4.213 0.02 2 405 48 48 GLY HA3 H 3.828 0.02 2 406 48 48 GLY C C 173.806 0.1 1 407 48 48 GLY CA C 45.779 0.1 1 408 48 48 GLY N N 112.474 0.1 1 409 49 49 LEU H H 8.053 0.02 1 410 49 49 LEU C C 177.268 0.1 1 411 49 49 LEU CA C 51.606 0.1 1 412 49 49 LEU CB C 45.173 0.1 1 413 49 49 LEU N N 120.876 0.1 1 414 50 50 PRO HA H 4.622 0.02 1 415 50 50 PRO HB2 H 2.415 0.02 2 416 50 50 PRO HB3 H 2.123 0.02 2 417 50 50 PRO HD2 H 4.124 0.02 2 418 50 50 PRO HD3 H 4.050 0.02 2 419 50 50 PRO HG2 H 2.140 0.02 2 420 50 50 PRO HG3 H 1.989 0.02 2 421 50 50 PRO CA C 63.870 0.1 1 422 50 50 PRO CB C 32.484 0.1 1 423 50 50 PRO CD C 51.898 0.1 1 424 50 50 PRO CG C 27.307 0.1 1 425 52 52 PRO HA H 5.036 0.02 1 426 52 52 PRO HB2 H 1.396 0.02 2 427 52 52 PRO HB3 H 0.714 0.02 2 428 52 52 PRO HD2 H 2.141 0.02 2 429 52 52 PRO HD3 H 2.141 0.02 2 430 52 52 PRO HG2 H -0.218 0.02 2 431 52 52 PRO HG3 H -0.218 0.02 2 432 52 52 PRO C C 175.862 0.1 1 433 52 52 PRO CA C 62.120 0.1 1 434 52 52 PRO CB C 33.455 0.1 1 435 52 52 PRO CD C 48.339 0.1 1 436 52 52 PRO CG C 25.042 0.1 1 437 53 53 CYS H H 8.194 0.02 1 438 53 53 CYS HA H 5.503 0.02 1 439 53 53 CYS HB2 H 3.031 0.02 2 440 53 53 CYS HB3 H 2.547 0.02 2 441 53 53 CYS C C 171.751 0.1 1 442 53 53 CYS CA C 55.820 0.1 1 443 53 53 CYS CB C 34.548 0.1 1 444 53 53 CYS N N 110.466 0.1 1 445 54 54 ILE H H 6.668 0.02 1 446 54 54 ILE HA H 6.130 0.02 1 447 54 54 ILE HB H 1.666 0.02 1 448 54 54 ILE HD1 H 0.260 0.02 1 449 54 54 ILE HG12 H 1.534 0.02 2 450 54 54 ILE HG13 H 1.210 0.02 2 451 54 54 ILE HG2 H -0.181 0.02 1 452 54 54 ILE C C 174.999 0.1 1 453 54 54 ILE CA C 59.251 0.1 1 454 54 54 ILE CB C 42.042 0.1 1 455 54 54 ILE CD1 C 14.172 0.1 1 456 54 54 ILE CG1 C 24.072 0.1 1 457 54 54 ILE CG2 C 14.694 0.1 1 458 54 54 ILE N N 107.809 0.1 1 459 55 55 VAL H H 7.946 0.02 1 460 55 55 VAL HA H 4.841 0.02 1 461 55 55 VAL HB H 2.528 0.02 1 462 55 55 VAL HG1 H 1.181 0.02 2 463 55 55 VAL HG2 H 1.371 0.02 2 464 55 55 VAL C C 174.999 0.1 1 465 55 55 VAL CA C 60.935 0.1 1 466 55 55 VAL CB C 37.788 0.1 1 467 55 55 VAL CG1 C 20.311 0.1 1 468 55 55 VAL CG2 C 25.104 0.1 1 469 55 55 VAL N N 111.948 0.1 1 470 57 57 SER H H 8.927 0.02 1 471 57 57 SER HB2 H 3.610 0.02 2 472 57 57 SER HB3 H 3.610 0.02 2 473 57 57 SER C C 174.238 0.1 1 474 57 57 SER CA C 59.688 0.1 1 475 57 57 SER CB C 63.613 0.1 1 476 57 57 SER N N 119.104 0.1 1 477 58 58 ASP H H 8.159 0.02 1 478 58 58 ASP HA H 4.360 0.02 1 479 58 58 ASP HB2 H 2.748 0.02 2 480 58 58 ASP HB3 H 2.674 0.02 2 481 58 58 ASP C C 177.147 0.1 1 482 58 58 ASP CA C 57.754 0.1 1 483 58 58 ASP CB C 41.212 0.1 1 484 58 58 ASP N N 118.232 0.1 1 485 59 59 SER H H 8.350 0.02 1 486 59 59 SER HA H 4.573 0.02 1 487 59 59 SER HB2 H 4.045 0.02 2 488 59 59 SER HB3 H 3.934 0.02 2 489 59 59 SER C C 174.864 0.1 1 490 59 59 SER CA C 58.627 0.1 1 491 59 59 SER CB C 64.244 0.1 1 492 59 59 SER N N 112.418 0.1 1 493 60 60 GLY H H 7.973 0.02 1 494 60 60 GLY HA2 H 4.468 0.02 2 495 60 60 GLY HA3 H 3.581 0.02 2 496 60 60 GLY C C 174.276 0.1 1 497 60 60 GLY CA C 45.966 0.1 1 498 60 60 GLY N N 110.023 0.1 1 499 61 61 LYS H H 8.363 0.02 1 500 61 61 LYS HA H 5.270 0.02 1 501 61 61 LYS HB2 H 1.800 0.02 2 502 61 61 LYS HB3 H 1.471 0.02 2 503 61 61 LYS HD2 H 1.618 0.02 2 504 61 61 LYS HD3 H 1.618 0.02 2 505 61 61 LYS HE2 H 3.059 0.02 2 506 61 61 LYS HE3 H 3.059 0.02 2 507 61 61 LYS HG2 H 1.327 0.02 2 508 61 61 LYS HG3 H 1.327 0.02 2 509 61 61 LYS C C 175.777 0.1 1 510 61 61 LYS CA C 56.818 0.1 1 511 61 61 LYS CB C 36.480 0.1 1 512 61 61 LYS CD C 30.020 0.1 1 513 61 61 LYS CE C 42.555 0.1 1 514 61 61 LYS CG C 24.366 0.1 1 515 61 61 LYS N N 108.695 0.1 1 516 62 62 VAL H H 8.987 0.02 1 517 62 62 VAL HA H 4.326 0.02 1 518 62 62 VAL HB H 2.061 0.02 1 519 62 62 VAL HG1 H 0.913 0.02 2 520 62 62 VAL HG2 H 0.759 0.02 2 521 62 62 VAL C C 174.630 0.1 1 522 62 62 VAL CA C 61.372 0.1 1 523 62 62 VAL CB C 36.091 0.1 1 524 62 62 VAL CG1 C 21.489 0.1 1 525 62 62 VAL CG2 C 21.786 0.1 1 526 62 62 VAL N N 121.554 0.1 1 527 63 63 ASN H H 8.873 0.02 1 528 63 63 ASN HA H 5.223 0.02 1 529 63 63 ASN HB2 H 2.940 0.02 2 530 63 63 ASN HB3 H 2.864 0.02 2 531 63 63 ASN C C 174.697 0.1 1 532 63 63 ASN CA C 53.420 0.1 1 533 63 63 ASN CB C 39.414 0.1 1 534 63 63 ASN N N 128.185 0.1 1 535 64 64 GLY H H 8.884 0.02 1 536 64 64 GLY HA2 H 4.360 0.02 2 537 64 64 GLY HA3 H 3.654 0.02 2 538 64 64 GLY C C 173.256 0.1 1 539 64 64 GLY CA C 45.966 0.1 1 540 64 64 GLY N N 110.023 0.1 1 541 65 65 LYS H H 7.918 0.02 1 542 65 65 LYS HA H 5.179 0.02 1 543 65 65 LYS HB2 H 1.237 0.02 2 544 65 65 LYS HB3 H 1.450 0.02 2 545 65 65 LYS HD2 H 1.583 0.02 2 546 65 65 LYS HD3 H 1.404 0.02 2 547 65 65 LYS HE2 H 2.869 0.02 2 548 65 65 LYS HE3 H 2.869 0.02 2 549 65 65 LYS HG2 H 1.179 0.02 2 550 65 65 LYS HG3 H 1.179 0.02 2 551 65 65 LYS C C 174.080 0.1 1 552 65 65 LYS CA C 55.072 0.1 1 553 65 65 LYS CB C 38.308 0.1 1 554 65 65 LYS CD C 30.543 0.1 1 555 65 65 LYS CE C 42.432 0.1 1 556 65 65 LYS CG C 26.337 0.1 1 557 65 65 LYS N N 121.526 0.1 1 558 66 66 VAL H H 9.536 0.02 1 559 66 66 VAL HA H 4.600 0.02 1 560 66 66 VAL HB H 2.097 0.02 1 561 66 66 VAL HG1 H 0.970 0.02 2 562 66 66 VAL HG2 H 0.726 0.02 2 563 66 66 VAL C C 175.293 0.1 1 564 66 66 VAL CA C 61.683 0.1 1 565 66 66 VAL CB C 33.455 0.1 1 566 66 66 VAL CG1 C 24.719 0.1 1 567 66 66 VAL CG2 C 22.777 0.1 1 568 66 66 VAL N N 121.471 0.1 1 569 67 67 ILE H H 9.512 0.02 1 570 67 67 ILE HA H 4.540 0.02 1 571 67 67 ILE HB H 1.795 0.02 1 572 67 67 ILE HD1 H 0.862 0.02 1 573 67 67 ILE HG12 H 0.973 0.02 2 574 67 67 ILE HG13 H 1.635 0.02 2 575 67 67 ILE HG2 H 0.949 0.02 1 576 67 67 ILE C C 175.913 0.1 1 577 67 67 ILE CA C 61.372 0.1 1 578 67 67 ILE CB C 38.692 0.1 1 579 67 67 ILE CD1 C 14.371 0.1 1 580 67 67 ILE CG1 C 27.954 0.1 1 581 67 67 ILE CG2 C 18.467 0.1 1 582 67 67 ILE N N 128.849 0.1 1 583 68 68 THR H H 8.023 0.02 1 584 68 68 THR HA H 5.180 0.02 1 585 68 68 THR HB H 4.300 0.02 1 586 68 68 THR HG2 H 1.107 0.02 1 587 68 68 THR C C 175.953 0.1 1 588 68 68 THR CA C 60.498 0.1 1 589 68 68 THR CB C 70.982 0.1 1 590 68 68 THR CG2 C 21.294 0.1 1 591 68 68 THR N N 117.554 0.1 1 592 69 69 GLY H H 8.363 0.02 1 593 69 69 GLY HA2 H 3.941 0.02 2 594 69 69 GLY HA3 H 3.843 0.02 2 595 69 69 GLY C C 175.083 0.1 1 596 69 69 GLY CA C 47.587 0.1 1 597 69 69 GLY N N 108.487 0.1 1 598 70 70 VAL H H 8.796 0.02 1 599 70 70 VAL HA H 4.243 0.02 1 600 70 70 VAL HB H 2.025 0.02 1 601 70 70 VAL HG1 H 1.090 0.02 2 602 70 70 VAL HG2 H 0.835 0.02 2 603 70 70 VAL C C 176.650 0.1 1 604 70 70 VAL CA C 62.744 0.1 1 605 70 70 VAL CB C 32.817 0.1 1 606 70 70 VAL CG1 C 22.136 0.1 1 607 70 70 VAL CG2 C 22.587 0.1 1 608 70 70 VAL N N 121.983 0.1 1 609 71 71 SER H H 9.347 0.02 1 610 71 71 SER HA H 4.839 0.02 1 611 71 71 SER HB2 H 4.510 0.02 2 612 71 71 SER HB3 H 4.152 0.02 2 613 71 71 SER C C 175.535 0.1 1 614 71 71 SER CA C 57.692 0.1 1 615 71 71 SER CB C 66.129 0.1 1 616 71 71 SER N N 125.970 0.1 1 617 72 72 ASP H H 9.076 0.02 1 618 72 72 ASP HA H 4.333 0.02 1 619 72 72 ASP HB2 H 2.750 0.02 2 620 72 72 ASP HB3 H 2.750 0.02 2 621 72 72 ASP C C 178.702 0.1 1 622 72 72 ASP CA C 58.877 0.1 1 623 72 72 ASP CB C 40.933 0.1 1 624 72 72 ASP N N 120.364 0.1 1 625 73 73 ALA H H 8.431 0.02 1 626 73 73 ALA C C 181.157 0.1 1 627 73 73 ALA CA C 55.384 0.1 1 628 73 73 ALA CB C 18.633 0.1 1 629 73 73 ALA N N 121.983 0.1 1 630 74 74 GLU H H 7.829 0.02 1 631 74 74 GLU HA H 3.936 0.02 1 632 74 74 GLU HG3 H 2.475 0.02 2 633 74 74 GLU C C 179.316 0.1 1 634 74 74 GLU CA C 59.126 0.1 1 635 74 74 GLU CB C 30.713 0.1 1 636 74 74 GLU CG C 37.270 0.1 1 637 74 74 GLU N N 119.655 0.1 1 638 75 75 LEU H H 8.748 0.02 1 639 75 75 LEU HA H 4.115 0.02 1 640 75 75 LEU HB2 H 1.141 0.02 2 641 75 75 LEU HB3 H 1.825 0.02 2 642 75 75 LEU HD1 H 0.429 0.02 2 643 75 75 LEU HD2 H 0.037 0.02 2 644 75 75 LEU HG H 1.405 0.02 1 645 75 75 LEU C C 178.450 0.1 1 646 75 75 LEU CA C 58.006 0.1 1 647 75 75 LEU CB C 41.868 0.1 1 648 75 75 LEU CD1 C 23.748 0.1 1 649 75 75 LEU CG C 24.719 0.1 1 650 75 75 LEU N N 121.762 0.1 1 651 76 76 ASN H H 7.641 0.02 1 652 76 76 ASN HA H 4.455 0.02 1 653 76 76 ASN HB3 H 2.915 0.02 2 654 76 76 ASN C C 177.199 0.1 1 655 76 76 ASN CA C 57.006 0.1 1 656 76 76 ASN CB C 39.006 0.1 1 657 76 76 ASN N N 115.782 0.1 1 658 77 77 ASN H H 7.463 0.02 1 659 77 77 ASN HA H 4.374 0.02 1 660 77 77 ASN HB2 H 3.246 0.02 2 661 77 77 ASN HB3 H 2.446 0.02 2 662 77 77 ASN C C 177.791 0.1 1 663 77 77 ASN CA C 55.945 0.1 1 664 77 77 ASN CB C 37.747 0.1 1 665 77 77 ASN N N 117.775 0.1 1 666 78 78 PHE H H 7.909 0.02 1 667 78 78 PHE HA H 4.653 0.02 1 668 78 78 PHE HB2 H 3.586 0.02 2 669 78 78 PHE HB3 H 3.775 0.02 2 670 78 78 PHE HD1 H 7.232 0.02 1 671 78 78 PHE HD2 H 7.232 0.02 1 672 78 78 PHE HE1 H 7.085 0.02 1 673 78 78 PHE HE2 H 7.085 0.02 1 674 78 78 PHE HZ H 6.966 0.02 1 675 78 78 PHE C C 177.553 0.1 1 676 78 78 PHE CA C 62.869 0.1 1 677 78 78 PHE CB C 39.015 0.1 1 678 78 78 PHE CD1 C 131.826 0.1 1 679 78 78 PHE CE1 C 130.971 0.1 1 680 78 78 PHE CZ C 127.807 0.1 1 681 78 78 PHE N N 119.547 0.1 1 682 79 79 ASP H H 8.353 0.02 1 683 79 79 ASP HA H 4.329 0.02 1 684 79 79 ASP HB2 H 3.104 0.02 2 685 79 79 ASP HB3 H 2.752 0.02 2 686 79 79 ASP C C 180.059 0.1 1 687 79 79 ASP CA C 58.253 0.1 1 688 79 79 ASP CB C 39.926 0.1 1 689 79 79 ASP N N 118.564 0.1 1 690 80 80 VAL H H 7.905 0.02 1 691 80 80 VAL HA H 3.647 0.02 1 692 80 80 VAL HB H 2.126 0.02 1 693 80 80 VAL HG1 H 1.094 0.02 2 694 80 80 VAL HG2 H 0.860 0.02 2 695 80 80 VAL C C 177.402 0.1 1 696 80 80 VAL CA C 66.129 0.1 1 697 80 80 VAL CB C 32.161 0.1 1 698 80 80 VAL CG1 C 22.460 0.1 1 699 80 80 VAL CG2 C 20.842 0.1 1 700 80 80 VAL N N 120.641 0.1 1 701 81 81 ILE H H 6.444 0.02 1 702 81 81 ILE N N 114.799 0.1 1 703 82 82 GLU C C 178.118 0.1 1 704 83 83 GLY H H 7.510 0.02 1 705 83 83 GLY HA2 H 4.141 0.02 2 706 83 83 GLY HA3 H 3.913 0.02 2 707 83 83 GLY C C 175.101 0.1 1 708 83 83 GLY CA C 45.467 0.1 1 709 83 83 GLY N N 104.077 0.1 1 710 84 84 ASN H H 8.263 0.02 1 711 84 84 ASN HA H 4.673 0.02 1 712 84 84 ASN HB3 H 2.910 0.02 2 713 84 84 ASN C C 176.437 0.1 1 714 84 84 ASN CA C 55.509 0.1 1 715 84 84 ASN CB C 39.029 0.1 1 716 84 84 ASN N N 114.232 0.1 1 717 85 85 ASP H H 8.652 0.02 1 718 85 85 ASP HA H 4.239 0.02 1 719 85 85 ASP HB2 H 1.137 0.02 2 720 85 85 ASP HB3 H 2.205 0.02 2 721 85 85 ASP C C 174.526 0.1 1 722 85 85 ASP CA C 56.008 0.1 1 723 85 85 ASP CB C 41.088 0.1 1 724 85 85 ASP N N 118.413 0.1 1 725 86 86 TYR H H 7.686 0.02 1 726 86 86 TYR HA H 5.477 0.02 1 727 86 86 TYR HB2 H 3.083 0.02 2 728 86 86 TYR HB3 H 2.921 0.02 2 729 86 86 TYR HD1 H 6.948 0.02 1 730 86 86 TYR HD2 H 6.948 0.02 1 731 86 86 TYR C C 175.101 0.1 1 732 86 86 TYR CA C 56.569 0.1 1 733 86 86 TYR CB C 43.790 0.1 1 734 86 86 TYR CD1 C 134.107 0.1 1 735 86 86 TYR N N 115.104 0.1 1 736 87 87 GLU H H 9.494 0.02 1 737 87 87 GLU HA H 4.855 0.02 1 738 87 87 GLU HB2 H 1.929 0.02 2 739 87 87 GLU HB3 H 1.929 0.02 2 740 87 87 GLU HG2 H 2.223 0.02 2 741 87 87 GLU HG3 H 2.223 0.02 2 742 87 87 GLU C C 174.622 0.1 1 743 87 87 GLU CA C 53.887 0.1 1 744 87 87 GLU CB C 32.917 0.1 1 745 87 87 GLU CG C 35.550 0.1 1 746 87 87 GLU N N 119.104 0.1 1 747 88 88 ARG H H 8.761 0.02 1 748 88 88 ARG HA H 4.769 0.02 1 749 88 88 ARG HB2 H 1.659 0.02 2 750 88 88 ARG HB3 H 1.195 0.02 2 751 88 88 ARG HD2 H 2.997 0.02 2 752 88 88 ARG HD3 H 2.868 0.02 2 753 88 88 ARG HG2 H 1.460 0.02 2 754 88 88 ARG HG3 H 0.683 0.02 2 755 88 88 ARG C C 175.971 0.1 1 756 88 88 ARG CA C 55.633 0.1 1 757 88 88 ARG CB C 29.700 0.1 1 758 88 88 ARG CD C 42.515 0.1 1 759 88 88 ARG CG C 26.660 0.1 1 760 88 88 ARG N N 126.634 0.1 1 761 89 89 VAL H H 8.806 0.02 1 762 89 89 VAL HA H 4.654 0.02 1 763 89 89 VAL HB H 2.081 0.02 1 764 89 89 VAL HG1 H 0.890 0.02 2 765 89 89 VAL HG2 H 0.761 0.02 2 766 89 89 VAL C C 174.306 0.1 1 767 89 89 VAL CA C 59.812 0.1 1 768 89 89 VAL CB C 36.503 0.1 1 769 89 89 VAL CG1 C 21.909 0.1 1 770 89 89 VAL CG2 C 19.942 0.1 1 771 89 89 VAL N N 123.534 0.1 1 772 90 90 THR H H 8.281 0.02 1 773 90 90 THR HA H 5.195 0.02 1 774 90 90 THR HB H 3.893 0.02 1 775 90 90 THR HG2 H 1.220 0.02 1 776 90 90 THR C C 175.293 0.1 1 777 90 90 THR CA C 62.252 0.1 1 778 90 90 THR CB C 69.688 0.1 1 779 90 90 THR CG2 C 22.400 0.1 1 780 90 90 THR N N 118.564 0.1 1 781 91 91 VAL H H 9.250 0.02 1 782 91 91 VAL HA H 4.703 0.02 1 783 91 91 VAL HB H 2.120 0.02 1 784 91 91 VAL HG1 H 0.639 0.02 2 785 91 91 VAL HG2 H 0.317 0.02 2 786 91 91 VAL C C 173.494 0.1 1 787 91 91 VAL CA C 59.251 0.1 1 788 91 91 VAL CB C 36.061 0.1 1 789 91 91 VAL CG1 C 21.663 0.1 1 790 91 91 VAL CG2 C 19.574 0.1 1 791 91 91 VAL N N 120.876 0.1 1 792 92 92 GLU H H 8.189 0.02 1 793 92 92 GLU HA H 5.259 0.02 1 794 92 92 GLU HB2 H 1.858 0.02 2 795 92 92 GLU HB3 H 1.842 0.02 2 796 92 92 GLU HG2 H 2.113 0.02 2 797 92 92 GLU HG3 H 2.113 0.02 2 798 92 92 GLU C C 176.099 0.1 1 799 92 92 GLU CA C 55.134 0.1 1 800 92 92 GLU CB C 33.481 0.1 1 801 92 92 GLU CG C 38.377 0.1 1 802 92 92 GLU N N 118.924 0.1 1 803 93 93 VAL H H 8.635 0.02 1 804 93 93 VAL HA H 4.864 0.02 1 805 93 93 VAL HB H 1.595 0.02 1 806 93 93 VAL HG1 H -0.008 0.02 2 807 93 93 VAL HG2 H 0.485 0.02 2 808 93 93 VAL C C 173.918 0.1 1 809 93 93 VAL CA C 58.046 0.1 1 810 93 93 VAL CB C 34.426 0.1 1 811 93 93 VAL CG1 C 22.130 0.1 1 812 93 93 VAL CG2 C 19.218 0.1 1 813 93 93 VAL N N 114.882 0.1 1 814 94 94 VAL H H 8.780 0.02 1 815 94 94 VAL HA H 4.563 0.02 1 816 94 94 VAL HB H 2.066 0.02 1 817 94 94 VAL HG1 H 0.972 0.02 2 818 94 94 VAL HG2 H 0.875 0.02 2 819 94 94 VAL C C 177.781 0.1 1 820 94 94 VAL CA C 61.372 0.1 1 821 94 94 VAL CB C 33.798 0.1 1 822 94 94 VAL CG1 C 24.395 0.1 1 823 94 94 VAL CG2 C 21.171 0.1 1 824 94 94 VAL N N 119.319 0.1 1 825 95 95 ARG H H 9.140 0.02 1 826 95 95 ARG HA H 4.098 0.02 1 827 95 95 ARG HB2 H 1.965 0.02 2 828 95 95 ARG HB3 H 1.965 0.02 2 829 95 95 ARG HG2 H 1.827 0.02 2 830 95 95 ARG HG3 H 1.827 0.02 2 831 95 95 ARG C C 177.537 0.1 1 832 95 95 ARG CA C 57.754 0.1 1 833 95 95 ARG CB C 31.818 0.1 1 834 95 95 ARG CD C 44.392 0.1 1 835 95 95 ARG CG C 27.193 0.1 1 836 95 95 ARG N N 127.520 0.1 1 837 96 96 MET H H 7.155 0.02 1 838 96 96 MET HA H 4.427 0.02 1 839 96 96 MET HB2 H 2.564 0.02 2 840 96 96 MET HB3 H 1.794 0.02 2 841 96 96 MET HE H 1.833 0.02 1 842 96 96 MET HG2 H 2.258 0.02 2 843 96 96 MET HG3 H 2.258 0.02 2 844 96 96 MET C C 177.300 0.1 1 845 96 96 MET CA C 57.255 0.1 1 846 96 96 MET CB C 33.455 0.1 1 847 96 96 MET CG C 33.455 0.1 1 848 96 96 MET N N 117.997 0.1 1 849 97 97 ASP H H 8.816 0.02 1 850 97 97 ASP HA H 4.454 0.02 1 851 97 97 ASP HB2 H 2.814 0.02 2 852 97 97 ASP HB3 H 2.814 0.02 2 853 97 97 ASP C C 178.365 0.1 1 854 97 97 ASP CA C 55.820 0.1 1 855 97 97 ASP CB C 39.051 0.1 1 856 97 97 ASP N N 117.318 0.1 1 857 98 98 ASN H H 8.385 0.02 1 858 98 98 ASN HA H 4.830 0.02 1 859 98 98 ASN HB2 H 3.289 0.02 2 860 98 98 ASN HB3 H 2.625 0.02 2 861 98 98 ASN C C 176.572 0.1 1 862 98 98 ASN CA C 52.016 0.1 1 863 98 98 ASN CB C 39.279 0.1 1 864 98 98 ASN N N 117.706 0.1 1 865 99 99 SER H H 7.644 0.02 1 866 99 99 SER HA H 4.342 0.02 1 867 99 99 SER HB2 H 3.988 0.02 2 868 99 99 SER HB3 H 4.131 0.02 2 869 99 99 SER C C 173.143 0.1 1 870 99 99 SER CA C 60.623 0.1 1 871 99 99 SER N N 110.203 0.1 1 872 100 100 GLU H H 8.025 0.02 1 873 100 100 GLU HA H 4.294 0.02 1 874 100 100 GLU HB2 H 1.974 0.02 2 875 100 100 GLU HB3 H 1.900 0.02 2 876 100 100 GLU HG2 H 2.246 0.02 2 877 100 100 GLU HG3 H 2.138 0.02 2 878 100 100 GLU C C 176.117 0.1 1 879 100 100 GLU CA C 56.631 0.1 1 880 100 100 GLU CB C 31.121 0.1 1 881 100 100 GLU CG C 36.656 0.1 1 882 100 100 GLU N N 120.391 0.1 1 883 101 101 LYS H H 8.481 0.02 1 884 101 101 LYS HA H 5.273 0.02 1 885 101 101 LYS HB2 H 1.715 0.02 2 886 101 101 LYS HB3 H 1.642 0.02 2 887 101 101 LYS HE2 H 2.920 0.02 2 888 101 101 LYS HE3 H 2.920 0.02 2 889 101 101 LYS HG2 H 1.309 0.02 2 890 101 101 LYS HG3 H 1.515 0.02 2 891 101 101 LYS C C 177.441 0.1 1 892 101 101 LYS CA C 55.781 0.1 1 893 101 101 LYS CB C 33.757 0.1 1 894 101 101 LYS CD C 29.651 0.1 1 895 101 101 LYS CE C 42.186 0.1 1 896 101 101 LYS CG C 26.013 0.1 1 897 101 101 LYS N N 122.648 0.1 1 898 102 102 VAL H H 9.064 0.02 1 899 102 102 VAL HA H 4.533 0.02 1 900 102 102 VAL HB H 1.902 0.02 1 901 102 102 VAL HG1 H 0.824 0.02 2 902 102 102 VAL HG2 H 0.583 0.02 2 903 102 102 VAL C C 174.323 0.1 1 904 102 102 VAL CA C 60.436 0.1 1 905 102 102 VAL CB C 35.720 0.1 1 906 102 102 VAL CG1 C 20.518 0.1 1 907 102 102 VAL CG2 C 20.842 0.1 1 908 102 102 VAL N N 121.720 0.1 1 909 103 103 LYS H H 8.545 0.02 1 910 103 103 LYS HA H 4.975 0.02 1 911 103 103 LYS HB2 H 1.847 0.02 2 912 103 103 LYS HB3 H 1.674 0.02 2 913 103 103 LYS HD2 H 1.686 0.02 2 914 103 103 LYS HD3 H 1.637 0.02 2 915 103 103 LYS HE2 H 2.989 0.02 2 916 103 103 LYS HE3 H 2.989 0.02 2 917 103 103 LYS HG2 H 1.552 0.02 2 918 103 103 LYS HG3 H 1.359 0.02 2 919 103 103 LYS C C 176.742 0.1 1 920 103 103 LYS CA C 56.382 0.1 1 921 103 103 LYS CB C 33.018 0.1 1 922 103 103 LYS CD C 29.651 0.1 1 923 103 103 LYS CE C 42.186 0.1 1 924 103 103 LYS CG C 25.473 0.1 1 925 103 103 LYS N N 126.413 0.1 1 926 104 104 VAL H H 9.207 0.02 1 927 104 104 VAL HA H 4.979 0.02 1 928 104 104 VAL HB H 2.068 0.02 1 929 104 104 VAL HG1 H 0.604 0.02 2 930 104 104 VAL HG2 H 0.786 0.02 2 931 104 104 VAL C C 173.427 0.1 1 932 104 104 VAL CA C 58.690 0.1 1 933 104 104 VAL CB C 36.058 0.1 1 934 104 104 VAL CG1 C 21.786 0.1 1 935 104 104 VAL CG2 C 23.752 0.1 1 936 104 104 VAL N N 117.997 0.1 1 937 105 105 GLU H H 8.604 0.02 1 938 105 105 GLU HA H 5.332 0.02 1 939 105 105 GLU HB2 H 1.717 0.02 2 940 105 105 GLU HB3 H 1.717 0.02 2 941 105 105 GLU HG2 H 2.335 0.02 2 942 105 105 GLU HG3 H 2.139 0.02 2 943 105 105 GLU C C 176.843 0.1 1 944 105 105 GLU CA C 54.448 0.1 1 945 105 105 GLU CB C 32.676 0.1 1 946 105 105 GLU CG C 37.270 0.1 1 947 105 105 GLU N N 117.554 0.1 1 948 106 106 THR H H 9.148 0.02 1 949 106 106 THR HA H 4.588 0.02 1 950 106 106 THR HG2 H 0.720 0.02 1 951 106 106 THR C C 170.400 0.1 1 952 106 106 THR CA C 61.871 0.1 1 953 106 106 THR CB C 71.134 0.1 1 954 106 106 THR CG2 C 23.101 0.1 1 955 106 106 THR N N 116.225 0.1 1 956 107 107 TYR H H 7.971 0.02 1 957 107 107 TYR HA H 5.230 0.02 1 958 107 107 TYR HB2 H 2.460 0.02 2 959 107 107 TYR HB3 H 2.653 0.02 2 960 107 107 TYR C C 175.600 0.1 1 961 107 107 TYR CA C 58.128 0.1 1 962 107 107 TYR CB C 40.167 0.1 1 963 107 107 TYR N N 120.876 0.1 1 964 108 108 VAL H H 9.589 0.02 1 965 108 108 VAL HA H 4.886 0.02 1 966 108 108 VAL HB H 2.351 0.02 1 967 108 108 VAL HG1 H 1.327 0.02 2 968 108 108 VAL HG2 H 1.023 0.02 2 969 108 108 VAL C C 175.519 0.1 1 970 108 108 VAL CA C 60.498 0.1 1 971 108 108 VAL CB C 35.073 0.1 1 972 108 108 VAL CG1 C 22.136 0.1 1 973 108 108 VAL CG2 C 22.136 0.1 1 974 108 108 VAL N N 125.084 0.1 1 975 109 109 TRP H H 8.568 0.02 1 976 109 109 TRP HA H 4.697 0.02 1 977 109 109 TRP HB2 H 2.958 0.02 2 978 109 109 TRP HB3 H 3.332 0.02 2 979 109 109 TRP HD1 H 6.942 0.02 1 980 109 109 TRP HE3 H 7.104 0.02 1 981 109 109 TRP HZ3 H 6.281 0.02 1 982 109 109 TRP C C 177.247 0.1 1 983 109 109 TRP CA C 57.816 0.1 1 984 109 109 TRP CB C 33.256 0.1 1 985 109 109 TRP CD1 C 123.927 0.1 1 986 109 109 TRP CE3 C 118.525 0.1 1 987 109 109 TRP CZ3 C 120.499 0.1 1 988 109 109 TRP N N 128.406 0.1 1 989 110 110 VAL H H 7.911 0.02 1 990 110 110 VAL HA H 3.586 0.02 1 991 110 110 VAL HB H 1.677 0.02 1 992 110 110 VAL HG1 H 0.809 0.02 2 993 110 110 VAL HG2 H 0.771 0.02 2 994 110 110 VAL C C 176.843 0.1 1 995 110 110 VAL CA C 66.549 0.1 1 996 110 110 VAL CB C 32.161 0.1 1 997 110 110 VAL CG1 C 21.165 0.1 1 998 110 110 VAL CG2 C 22.769 0.1 1 999 110 110 VAL N N 125.347 0.1 1 1000 111 111 ASN H H 7.406 0.02 1 1001 111 111 ASN HA H 4.910 0.02 1 1002 111 111 ASN HB2 H 3.055 0.02 2 1003 111 111 ASN HB3 H 2.678 0.02 2 1004 111 111 ASN C C 175.406 0.1 1 1005 111 111 ASN CA C 51.766 0.1 1 1006 111 111 ASN CB C 37.762 0.1 1 1007 111 111 ASN N N 115.519 0.1 1 1008 112 112 LYS H H 8.272 0.02 1 1009 112 112 LYS HA H 4.101 0.02 1 1010 112 112 LYS HB2 H 2.056 0.02 2 1011 112 112 LYS HB3 H 1.977 0.02 2 1012 112 112 LYS HD2 H 1.841 0.02 2 1013 112 112 LYS HD3 H 1.822 0.02 2 1014 112 112 LYS HE2 H 3.196 0.02 2 1015 112 112 LYS HE3 H 3.196 0.02 2 1016 112 112 LYS HG2 H 1.678 0.02 2 1017 112 112 LYS HG3 H 1.619 0.02 2 1018 112 112 LYS C C 175.439 0.1 1 1019 112 112 LYS CA C 58.565 0.1 1 1020 112 112 LYS CB C 31.514 0.1 1 1021 112 112 LYS CD C 28.925 0.1 1 1022 112 112 LYS CE C 42.838 0.1 1 1023 112 112 LYS CG C 24.727 0.1 1 1024 112 112 LYS N N 123.755 0.1 1 1025 113 113 ASP H H 7.823 0.02 1 1026 113 113 ASP HA H 4.854 0.02 1 1027 113 113 ASP HB2 H 2.896 0.02 2 1028 113 113 ASP HB3 H 2.569 0.02 2 1029 113 113 ASP C C 175.858 0.1 1 1030 113 113 ASP CA C 53.364 0.1 1 1031 113 113 ASP CB C 41.598 0.1 1 1032 113 113 ASP N N 116.128 0.1 1 1033 114 114 ASP H H 7.128 0.02 1 1034 114 114 ASP C C 176.423 0.1 1 1035 114 114 ASP CA C 52.981 0.1 1 1036 114 114 ASP CB C 43.485 0.1 1 1037 114 114 ASP N N 122.426 0.1 1 1038 115 115 PRO HA H 5.032 0.02 1 1039 115 115 PRO HB2 H 1.944 0.02 2 1040 115 115 PRO HB3 H 1.944 0.02 2 1041 115 115 PRO HD2 H 3.900 0.02 2 1042 115 115 PRO HD3 H 3.594 0.02 2 1043 115 115 PRO HG2 H 2.415 0.02 2 1044 115 115 PRO HG3 H 2.231 0.02 2 1045 115 115 PRO CA C 63.546 0.1 1 1046 115 115 PRO CB C 31.190 0.1 1 1047 115 115 PRO CD C 50.280 0.1 1 1048 115 115 PRO CG C 27.631 0.1 1 1049 116 116 ARG H H 7.123 0.02 1 1050 116 116 ARG N N 122.426 0.1 1 1051 117 117 MET HA H 4.933 0.02 1 1052 117 117 MET HB2 H 1.644 0.02 2 1053 117 117 MET HB3 H 0.995 0.02 2 1054 117 117 MET HG2 H 2.025 0.02 2 1055 117 117 MET HG3 H 1.753 0.02 2 1056 117 117 MET C C 176.342 0.1 1 1057 117 117 MET CA C 56.943 0.1 1 1058 117 117 MET CB C 33.860 0.1 1 1059 117 117 MET CG C 32.600 0.1 1 1060 118 118 TYR H H 9.164 0.02 1 1061 118 118 TYR HA H 4.996 0.02 1 1062 118 118 TYR HB2 H 3.055 0.02 2 1063 118 118 TYR HB3 H 3.194 0.02 2 1064 118 118 TYR HD1 H 7.294 0.02 1 1065 118 118 TYR HD2 H 7.294 0.02 1 1066 118 118 TYR HE1 H 6.657 0.02 1 1067 118 118 TYR HE2 H 6.657 0.02 1 1068 118 118 TYR C C 173.607 0.1 1 1069 118 118 TYR CA C 57.255 0.1 1 1070 118 118 TYR CB C 40.987 0.1 1 1071 118 118 TYR CD1 C 134.013 0.1 1 1072 118 118 TYR CE1 C 118.222 0.1 1 1073 118 118 TYR N N 121.222 0.1 1 1074 119 119 GLY H H 8.767 0.02 1 1075 119 119 GLY HA2 H 3.783 0.02 2 1076 119 119 GLY HA3 H 3.992 0.02 2 1077 119 119 GLY C C 173.515 0.1 1 1078 119 119 GLY CA C 46.777 0.1 1 1079 119 119 GLY N N 105.995 0.1 1 1080 120 120 GLU H H 8.187 0.02 1 1081 120 120 GLU C C 174.711 0.1 1 1082 120 120 GLU CA C 55.696 0.1 1 1083 120 120 GLU CB C 32.599 0.1 1 1084 120 120 GLU CG C 36.410 0.1 1 1085 120 120 GLU N N 121.443 0.1 1 1086 121 121 TRP H H 8.274 0.02 1 1087 121 121 TRP HA H 4.294 0.02 1 1088 121 121 TRP HB2 H 2.873 0.02 2 1089 121 121 TRP HB3 H 2.763 0.02 2 1090 121 121 TRP HD1 H 7.236 0.02 1 1091 121 121 TRP HE1 H 9.805 0.02 1 1092 121 121 TRP C C 173.709 0.1 1 1093 121 121 TRP CA C 59.750 0.1 1 1094 121 121 TRP CB C 31.182 0.1 1 1095 121 121 TRP CD1 C 128.172 0.1 1 1096 121 121 TRP N N 127.800 0.1 1 1097 121 121 TRP NE1 N 129.717 0.1 1 1098 122 122 ASP H H 7.890 0.02 1 1099 122 122 ASP HA H 4.924 0.02 1 1100 122 122 ASP HB2 H 2.678 0.02 2 1101 122 122 ASP HB3 H 2.520 0.02 2 1102 122 122 ASP C C 174.856 0.1 1 1103 122 122 ASP CA C 53.138 0.1 1 1104 122 122 ASP CB C 44.844 0.1 1 1105 122 122 ASP N N 126.856 0.1 1 1106 123 123 PHE H H 8.651 0.02 1 1107 123 123 PHE HB2 H 3.264 0.02 2 1108 123 123 PHE HB3 H 2.984 0.02 2 1109 123 123 PHE HD1 H 7.357 0.02 1 1110 123 123 PHE HD2 H 7.357 0.02 1 1111 123 123 PHE HE1 H 7.475 0.02 1 1112 123 123 PHE HE2 H 7.475 0.02 1 1113 123 123 PHE HZ H 7.554 0.02 1 1114 123 123 PHE C C 175.997 0.1 1 1115 123 123 PHE CA C 61.184 0.1 1 1116 123 123 PHE CB C 39.926 0.1 1 1117 123 123 PHE CD1 C 132.285 0.1 1 1118 123 123 PHE CE1 C 132.047 0.1 1 1119 123 123 PHE CZ C 129.718 0.1 1 1120 123 123 PHE N N 128.406 0.1 1 1121 124 124 GLU H H 8.157 0.02 1 1122 124 124 GLU HA H 4.136 0.02 1 1123 124 124 GLU HB2 H 2.136 0.02 2 1124 124 124 GLU HB3 H 2.136 0.02 2 1125 124 124 GLU HG2 H 2.439 0.02 2 1126 124 124 GLU HG3 H 2.439 0.02 2 1127 124 124 GLU C C 179.076 0.1 1 1128 124 124 GLU CA C 59.563 0.1 1 1129 124 124 GLU CB C 29.006 0.1 1 1130 124 124 GLU CG C 36.164 0.1 1 1131 124 124 GLU N N 119.339 0.1 1 1132 125 125 GLU H H 8.023 0.02 1 1133 125 125 GLU HA H 3.910 0.02 1 1134 125 125 GLU HB3 H 1.954 0.02 2 1135 125 125 GLU HG2 H 2.351 0.02 2 1136 125 125 GLU HG3 H 2.145 0.02 2 1137 125 125 GLU C C 178.772 0.1 1 1138 125 125 GLU CA C 58.877 0.1 1 1139 125 125 GLU CB C 30.708 0.1 1 1140 125 125 GLU CG C 36.533 0.1 1 1141 125 125 GLU N N 118.841 0.1 1 1142 126 126 TRP H H 7.318 0.02 1 1143 126 126 TRP HA H 4.155 0.02 1 1144 126 126 TRP HB2 H 2.971 0.02 2 1145 126 126 TRP HB3 H 2.840 0.02 2 1146 126 126 TRP HD1 H 7.469 0.02 1 1147 126 126 TRP HE1 H 10.704 0.02 1 1148 126 126 TRP HZ2 H 7.333 0.02 1 1149 126 126 TRP C C 178.054 0.1 1 1150 126 126 TRP CA C 61.247 0.1 1 1151 126 126 TRP CB C 28.925 0.1 1 1152 126 126 TRP CD1 C 128.807 0.1 1 1153 126 126 TRP CZ2 C 114.347 0.1 1 1154 126 126 TRP N N 118.440 0.1 1 1155 126 126 TRP NE1 N 128.947 0.1 1 1156 127 127 ARG H H 8.639 0.02 1 1157 127 127 ARG HA H 3.932 0.02 1 1158 127 127 ARG HB2 H 1.432 0.02 2 1159 127 127 ARG HB3 H 1.432 0.02 2 1160 127 127 ARG C C 178.298 0.1 1 1161 127 127 ARG CA C 59.019 0.1 1 1162 127 127 ARG CB C 29.951 0.1 1 1163 127 127 ARG CG C 26.333 0.1 1 1164 127 127 ARG N N 119.990 0.1 1 1165 128 128 VAL H H 6.972 0.02 1 1166 128 128 VAL HA H 3.698 0.02 1 1167 128 128 VAL HB H 2.104 0.02 1 1168 128 128 VAL HG1 H 1.005 0.02 2 1169 128 128 VAL HG2 H 0.962 0.02 2 1170 128 128 VAL C C 176.184 0.1 1 1171 128 128 VAL CA C 64.677 0.1 1 1172 128 128 VAL CB C 32.239 0.1 1 1173 128 128 VAL CG1 C 20.842 0.1 1 1174 128 128 VAL CG2 C 21.489 0.1 1 1175 128 128 VAL N N 113.567 0.1 1 1176 129 129 VAL H H 6.663 0.02 1 1177 129 129 VAL HA H 3.834 0.02 1 1178 129 129 VAL HB H 1.459 0.02 1 1179 129 129 VAL HG1 H 0.210 0.02 2 1180 129 129 VAL HG2 H 0.771 0.02 2 1181 129 129 VAL C C 177.943 0.1 1 1182 129 129 VAL CA C 64.241 0.1 1 1183 129 129 VAL CB C 34.789 0.1 1 1184 129 129 VAL CG1 C 20.842 0.1 1 1185 129 129 VAL N N 116.668 0.1 1 1186 130 130 HIS H H 7.622 0.02 1 1187 130 130 HIS HA H 4.588 0.02 1 1188 130 130 HIS HB2 H 2.939 0.02 2 1189 130 130 HIS HB3 H 1.193 0.02 2 1190 130 130 HIS HE1 H 7.720 0.02 1 1191 130 130 HIS C C 176.698 0.1 1 1192 130 130 HIS CA C 58.378 0.1 1 1193 130 130 HIS CB C 34.548 0.1 1 1194 130 130 HIS CE1 C 138.257 0.1 1 1195 130 130 HIS N N 114.896 0.1 1 1196 131 131 ALA H H 7.097 0.02 1 1197 131 131 ALA HA H 3.615 0.02 1 1198 131 131 ALA HB H 1.241 0.02 1 1199 131 131 ALA C C 178.907 0.1 1 1200 131 131 ALA CA C 57.941 0.1 1 1201 131 131 ALA CB C 18.900 0.1 1 1202 131 131 ALA N N 120.654 0.1 1 1203 132 132 GLU H H 8.206 0.02 1 1204 132 132 GLU HA H 3.950 0.02 1 1205 132 132 GLU HB2 H 2.010 0.02 2 1206 132 132 GLU HB3 H 1.438 0.02 2 1207 132 132 GLU HG2 H 2.357 0.02 2 1208 132 132 GLU HG3 H 2.252 0.02 2 1209 132 132 GLU C C 179.590 0.1 1 1210 132 132 GLU CA C 60.374 0.1 1 1211 132 132 GLU CB C 29.522 0.1 1 1212 132 132 GLU CG C 36.656 0.1 1 1213 132 132 GLU N N 115.339 0.1 1 1214 133 133 LYS H H 8.005 0.02 1 1215 133 133 LYS HA H 4.316 0.02 1 1216 133 133 LYS HB2 H 2.164 0.02 2 1217 133 133 LYS HB3 H 2.164 0.02 2 1218 133 133 LYS HD2 H 1.858 0.02 2 1219 133 133 LYS HD3 H 1.858 0.02 2 1220 133 133 LYS HE2 H 3.096 0.02 2 1221 133 133 LYS HE3 H 3.096 0.02 2 1222 133 133 LYS HG2 H 1.630 0.02 2 1223 133 133 LYS HG3 H 1.630 0.02 2 1224 133 133 LYS C C 180.011 0.1 1 1225 133 133 LYS CA C 58.440 0.1 1 1226 133 133 LYS CB C 32.095 0.1 1 1227 133 133 LYS CD C 29.159 0.1 1 1228 133 133 LYS CE C 42.057 0.1 1 1229 133 133 LYS CG C 25.227 0.1 1 1230 133 133 LYS N N 119.755 0.1 1 1231 134 134 PHE H H 8.741 0.02 1 1232 134 134 PHE HA H 3.934 0.02 1 1233 134 134 PHE HB2 H 3.620 0.02 2 1234 134 134 PHE HB3 H 3.620 0.02 2 1235 134 134 PHE HD1 H 7.663 0.02 1 1236 134 134 PHE HD2 H 7.663 0.02 1 1237 134 134 PHE HE1 H 7.611 0.02 1 1238 134 134 PHE HE2 H 7.611 0.02 1 1239 134 134 PHE HZ H 7.192 0.02 1 1240 134 134 PHE C C 177.029 0.1 1 1241 134 134 PHE CA C 62.245 0.1 1 1242 134 134 PHE CB C 38.956 0.1 1 1243 134 134 PHE CD1 C 133.545 0.1 1 1244 134 134 PHE CE1 C 131.189 0.1 1 1245 134 134 PHE CZ C 129.965 0.1 1 1246 134 134 PHE N N 122.869 0.1 1 1247 135 135 VAL H H 8.059 0.02 1 1248 135 135 VAL HA H 3.484 0.02 1 1249 135 135 VAL HB H 2.290 0.02 1 1250 135 135 VAL HG1 H 1.088 0.02 2 1251 135 135 VAL HG2 H 0.997 0.02 2 1252 135 135 VAL C C 177.418 0.1 1 1253 135 135 VAL CA C 68.010 0.1 1 1254 135 135 VAL CB C 32.161 0.1 1 1255 135 135 VAL CG1 C 24.072 0.1 1 1256 135 135 VAL CG2 C 21.294 0.1 1 1257 135 135 VAL N N 119.104 0.1 1 1258 136 136 GLU H H 7.389 0.02 1 1259 136 136 GLU HA H 4.123 0.02 1 1260 136 136 GLU HB2 H 2.178 0.02 2 1261 136 136 GLU HB3 H 2.178 0.02 2 1262 136 136 GLU HG2 H 2.446 0.02 2 1263 136 136 GLU HG3 H 2.327 0.02 2 1264 136 136 GLU C C 179.346 0.1 1 1265 136 136 GLU CA C 59.376 0.1 1 1266 136 136 GLU CB C 30.329 0.1 1 1267 136 136 GLU CG C 36.327 0.1 1 1268 136 136 GLU N N 116.156 0.1 1 1269 137 137 THR H H 8.438 0.02 1 1270 137 137 THR HA H 4.034 0.02 1 1271 137 137 THR HB H 3.912 0.02 1 1272 137 137 THR HG2 H 1.241 0.02 1 1273 137 137 THR C C 176.472 0.1 1 1274 137 137 THR CA C 68.717 0.1 1 1275 137 137 THR CB C 67.484 0.1 1 1276 137 137 THR CG2 C 21.813 0.1 1 1277 137 137 THR N N 116.017 0.1 1 1278 138 138 PHE H H 9.082 0.02 1 1279 138 138 PHE HA H 4.478 0.02 1 1280 138 138 PHE HB2 H 3.393 0.02 2 1281 138 138 PHE HB3 H 2.898 0.02 2 1282 138 138 PHE HD1 H 6.985 0.02 1 1283 138 138 PHE HD2 H 6.985 0.02 1 1284 138 138 PHE HZ H 6.985 0.02 1 1285 138 138 PHE C C 177.910 0.1 1 1286 138 138 PHE CA C 58.752 0.1 1 1287 138 138 PHE CB C 37.014 0.1 1 1288 138 138 PHE CD1 C 130.003 0.1 1 1289 138 138 PHE N N 122.205 0.1 1 1290 139 139 ARG H H 8.222 0.02 1 1291 139 139 ARG HA H 3.914 0.02 1 1292 139 139 ARG HB2 H 2.079 0.02 2 1293 139 139 ARG HB3 H 2.079 0.02 2 1294 139 139 ARG HD2 H 3.300 0.02 2 1295 139 139 ARG HD3 H 3.300 0.02 2 1296 139 139 ARG HG2 H 1.881 0.02 2 1297 139 139 ARG HG3 H 1.680 0.02 2 1298 139 139 ARG C C 179.363 0.1 1 1299 139 139 ARG CA C 60.748 0.1 1 1300 139 139 ARG CB C 30.392 0.1 1 1301 139 139 ARG CD C 43.907 0.1 1 1302 139 139 ARG CG C 27.631 0.1 1 1303 139 139 ARG N N 119.561 0.1 1 1304 140 140 LYS H H 7.784 0.02 1 1305 140 140 LYS HA H 4.122 0.02 1 1306 140 140 LYS HB2 H 2.074 0.02 2 1307 140 140 LYS HB3 H 1.871 0.02 2 1308 140 140 LYS HD2 H 1.766 0.02 2 1309 140 140 LYS HD3 H 1.536 0.02 2 1310 140 140 LYS HG2 H 1.766 0.02 2 1311 140 140 LYS HG3 H 1.557 0.02 2 1312 140 140 LYS C C 179.610 0.1 1 1313 140 140 LYS CA C 59.688 0.1 1 1314 140 140 LYS CB C 32.977 0.1 1 1315 140 140 LYS CD C 29.572 0.1 1 1316 140 140 LYS CG C 26.013 0.1 1 1317 140 140 LYS N N 118.010 0.1 1 1318 141 141 MET H H 8.630 0.02 1 1319 141 141 MET HA H 4.045 0.02 1 1320 141 141 MET HB2 H 2.200 0.02 2 1321 141 141 MET HB3 H 2.101 0.02 2 1322 141 141 MET HE H 2.503 0.02 1 1323 141 141 MET HG2 H 2.831 0.02 2 1324 141 141 MET HG3 H 2.831 0.02 2 1325 141 141 MET C C 178.416 0.1 1 1326 141 141 MET CA C 60.062 0.1 1 1327 141 141 MET CB C 33.779 0.1 1 1328 141 141 MET CG C 33.215 0.1 1 1329 141 141 MET N N 119.990 0.1 1 1330 142 142 LEU H H 8.053 0.02 1 1331 142 142 LEU HA H 4.149 0.02 1 1332 142 142 LEU HB2 H 1.527 0.02 2 1333 142 142 LEU HB3 H 1.908 0.02 2 1334 142 142 LEU HD1 H 0.824 0.02 2 1335 142 142 LEU HD2 H 0.777 0.02 2 1336 142 142 LEU HG H 1.759 0.02 1 1337 142 142 LEU C C 179.558 0.1 1 1338 142 142 LEU CA C 57.754 0.1 1 1339 142 142 LEU CB C 40.897 0.1 1 1340 142 142 LEU CD1 C 27.954 0.1 1 1341 142 142 LEU CD2 C 22.031 0.1 1 1342 142 142 LEU CG C 27.307 0.1 1 1343 142 142 LEU N N 118.661 0.1 1 1344 143 143 GLU H H 8.002 0.02 1 1345 143 143 GLU HA H 4.104 0.02 1 1346 143 143 GLU HB2 H 2.186 0.02 2 1347 143 143 GLU HB3 H 2.186 0.02 2 1348 143 143 GLU HG2 H 2.460 0.02 2 1349 143 143 GLU HG3 H 2.331 0.02 2 1350 143 143 GLU C C 179.073 0.1 1 1351 143 143 GLU CA C 59.563 0.1 1 1352 143 143 GLU CB C 30.077 0.1 1 1353 143 143 GLU CG C 36.367 0.1 1 1354 143 143 GLU N N 120.876 0.1 1 1355 144 144 TRP H H 8.271 0.02 1 1356 144 144 TRP HA H 4.221 0.02 1 1357 144 144 TRP HB2 H 3.454 0.02 2 1358 144 144 TRP HB3 H 3.292 0.02 2 1359 144 144 TRP HD1 H 7.233 0.02 1 1360 144 144 TRP HE1 H 9.948 0.02 1 1361 144 144 TRP HZ2 H 7.549 0.02 1 1362 144 144 TRP C C 176.860 0.1 1 1363 144 144 TRP CA C 60.748 0.1 1 1364 144 144 TRP CB C 28.278 0.1 1 1365 144 144 TRP CD1 C 127.106 0.1 1 1366 144 144 TRP CZ2 C 114.763 0.1 1 1367 144 144 TRP N N 121.056 0.1 1 1368 144 144 TRP NE1 N 129.717 0.1 1 1369 145 145 ASN H H 8.031 0.02 1 1370 145 145 ASN HA H 3.935 0.02 1 1371 145 145 ASN HB2 H 2.743 0.02 2 1372 145 145 ASN HB3 H 2.743 0.02 2 1373 145 145 ASN C C 176.319 0.1 1 1374 145 145 ASN CA C 56.008 0.1 1 1375 145 145 ASN CB C 40.102 0.1 1 1376 145 145 ASN N N 115.339 0.1 1 1377 146 146 LYS H H 7.416 0.02 1 1378 146 146 LYS C C 176.809 0.1 1 1379 146 146 LYS N N 116.446 0.1 1 1380 147 147 ASN H H 7.636 0.02 1 1381 147 147 ASN C C 178.089 0.1 1 1382 147 147 ASN CA C 51.419 0.1 1 1383 147 147 ASN N N 115.782 0.1 1 1384 148 148 PRO HA H 3.943 0.02 1 1385 148 148 PRO HB2 H 1.842 0.02 2 1386 148 148 PRO HB3 H 1.694 0.02 2 1387 148 148 PRO HD2 H 3.602 0.02 2 1388 148 148 PRO HD3 H 3.364 0.02 2 1389 148 148 PRO HG2 H 1.651 0.02 2 1390 148 148 PRO HG3 H 1.865 0.02 2 1391 148 148 PRO C C 178.551 0.1 1 1392 148 148 PRO CA C 65.052 0.1 1 1393 148 148 PRO CB C 31.837 0.1 1 1394 148 148 PRO CG C 27.070 0.1 1 1395 149 149 ASN H H 8.202 0.02 1 1396 149 149 ASN HA H 4.538 0.02 1 1397 149 149 ASN HB2 H 2.632 0.02 2 1398 149 149 ASN HB3 H 3.031 0.02 2 1399 149 149 ASN C C 175.792 0.1 1 1400 149 149 ASN CA C 53.700 0.1 1 1401 149 149 ASN CB C 38.650 0.1 1 1402 149 149 ASN N N 115.906 0.1 1 1403 150 150 GLY H H 8.236 0.02 1 1404 150 150 GLY HA2 H 3.876 0.02 2 1405 150 150 GLY HA3 H 4.081 0.02 2 1406 150 150 GLY C C 174.388 0.1 1 1407 150 150 GLY CA C 46.028 0.1 1 1408 150 150 GLY N N 105.802 0.1 1 1409 151 151 LYS H H 7.946 0.02 1 1410 151 151 LYS HA H 4.670 0.02 1 1411 151 151 LYS HB2 H 1.953 0.02 2 1412 151 151 LYS HB3 H 1.953 0.02 2 1413 151 151 LYS HD2 H 1.667 0.02 2 1414 151 151 LYS HD3 H 1.667 0.02 2 1415 151 151 LYS HE2 H 3.044 0.02 2 1416 151 151 LYS HE3 H 3.044 0.02 2 1417 151 151 LYS HG2 H 1.506 0.02 2 1418 151 151 LYS HG3 H 1.506 0.02 2 1419 151 151 LYS C C 177.605 0.1 1 1420 151 151 LYS CA C 55.633 0.1 1 1421 151 151 LYS CB C 34.910 0.1 1 1422 151 151 LYS CD C 28.925 0.1 1 1423 151 151 LYS CE C 42.515 0.1 1 1424 151 151 LYS CG C 25.366 0.1 1 1425 151 151 LYS N N 120.211 0.1 1 1426 152 152 SER H H 8.905 0.02 1 1427 152 152 SER HA H 4.639 0.02 1 1428 152 152 SER HB2 H 4.198 0.02 2 1429 152 152 SER HB3 H 4.034 0.02 2 1430 152 152 SER C C 174.759 0.1 1 1431 152 152 SER CA C 58.128 0.1 1 1432 152 152 SER CB C 64.835 0.1 1 1433 152 152 SER N N 119.104 0.1 1 1434 153 153 MET H H 8.580 0.02 1 1435 153 153 MET N N 123.091 0.1 1 1436 154 154 GLU H H 8.607 0.02 1 1437 154 154 GLU HA H 3.961 0.02 1 1438 154 154 GLU HG2 H 2.250 0.02 2 1439 154 154 GLU HG3 H 2.250 0.02 2 1440 154 154 GLU C C 178.551 0.1 1 1441 154 154 GLU CA C 55.781 0.1 1 1442 154 154 GLU CB C 29.718 0.1 1 1443 154 154 GLU CG C 36.779 0.1 1 1444 154 154 GLU N N 118.661 0.1 1 1445 155 155 GLU H H 7.827 0.02 1 1446 155 155 GLU HA H 4.091 0.02 1 1447 155 155 GLU HB2 H 2.175 0.02 2 1448 155 155 GLU HB3 H 2.053 0.02 2 1449 155 155 GLU HG2 H 2.320 0.02 2 1450 155 155 GLU HG3 H 2.320 0.02 2 1451 155 155 GLU C C 177.781 0.1 1 1452 155 155 GLU CA C 58.253 0.1 1 1453 155 155 GLU CB C 30.703 0.1 1 1454 155 155 GLU CG C 36.902 0.1 1 1455 155 155 GLU N N 119.768 0.1 1 1456 156 156 ALA H H 8.011 0.02 1 1457 156 156 ALA HA H 4.292 0.02 1 1458 156 156 ALA HB H 1.449 0.02 1 1459 156 156 ALA C C 178.907 0.1 1 1460 156 156 ALA CA C 54.136 0.1 1 1461 156 156 ALA CB C 20.195 0.1 1 1462 156 156 ALA N N 122.205 0.1 1 1463 157 157 VAL H H 8.263 0.02 1 1464 157 157 VAL HA H 4.053 0.02 1 1465 157 157 VAL HB H 2.154 0.02 1 1466 157 157 VAL HG1 H 0.966 0.02 2 1467 157 157 VAL HG2 H 0.918 0.02 2 1468 157 157 VAL C C 176.910 0.1 1 1469 157 157 VAL CA C 63.617 0.1 1 1470 157 157 VAL CB C 33.038 0.1 1 1471 157 157 VAL CG1 C 21.663 0.1 1 1472 157 157 VAL CG2 C 21.489 0.1 1 1473 157 157 VAL N N 116.225 0.1 1 1474 158 158 GLY H H 8.000 0.02 1 1475 158 158 GLY HA2 H 3.906 0.02 2 1476 158 158 GLY HA3 H 4.127 0.02 2 1477 158 158 GLY C C 174.407 0.1 1 1478 158 158 GLY CA C 45.716 0.1 1 1479 158 158 GLY N N 109.871 0.1 1 1480 159 159 SER H H 8.191 0.02 1 1481 159 159 SER N N 115.131 0.1 1 1482 160 160 LEU H H 8.337 0.02 1 1483 160 160 LEU HA H 4.383 0.02 1 1484 160 160 LEU HB2 H 1.786 0.02 2 1485 160 160 LEU HB3 H 1.681 0.02 2 1486 160 160 LEU HD1 H 0.839 0.02 2 1487 160 160 LEU HD2 H 0.879 0.02 2 1488 160 160 LEU HG H 0.809 0.02 1 1489 160 160 LEU C C 177.266 0.1 1 1490 160 160 LEU CA C 55.883 0.1 1 1491 160 160 LEU CB C 42.686 0.1 1 1492 160 160 LEU CD1 C 27.193 0.1 1 1493 160 160 LEU CD2 C 25.350 0.1 1 1494 160 160 LEU CG C 23.629 0.1 1 1495 160 160 LEU N N 123.755 0.1 1 1496 161 161 LEU H H 8.178 0.02 1 1497 161 161 LEU HA H 4.512 0.02 1 1498 161 161 LEU HB2 H 1.793 0.02 2 1499 161 161 LEU HB3 H 1.675 0.02 2 1500 161 161 LEU HD1 H 0.842 0.02 2 1501 161 161 LEU HD2 H 0.906 0.02 2 1502 161 161 LEU HG H 0.854 0.02 1 1503 161 161 LEU C C 177.266 0.1 1 1504 161 161 LEU CA C 55.509 0.1 1 1505 161 161 LEU CB C 42.762 0.1 1 1506 161 161 LEU CD1 C 26.660 0.1 1 1507 161 161 LEU CD2 C 25.227 0.1 1 1508 161 161 LEU CG C 23.506 0.1 1 1509 161 161 LEU N N 120.115 0.1 1 1510 162 162 SER H H 8.113 0.02 1 1511 162 162 SER N N 115.325 0.1 1 1512 163 163 SER H H 8.424 0.02 1 1513 163 163 SER HA H 4.573 0.02 1 1514 163 163 SER HB2 H 4.014 0.02 2 1515 163 163 SER HB3 H 3.945 0.02 2 1516 163 163 SER C C 174.948 0.1 1 1517 163 163 SER CA C 58.939 0.1 1 1518 163 163 SER CB C 58.933 0.1 1 1519 163 163 SER N N 117.775 0.1 1 1520 164 164 GLY H H 8.423 0.02 1 1521 164 164 GLY HA2 H 4.107 0.02 2 1522 164 164 GLY HA3 H 3.988 0.02 2 1523 164 164 GLY C C 173.079 0.1 1 1524 164 164 GLY CA C 45.591 0.1 1 1525 164 164 GLY N N 111.311 0.1 1 1526 165 165 ASP H H 7.979 0.02 1 1527 165 165 ASP C C 181.183 0.1 1 1528 165 165 ASP CA C 56.229 0.1 1 1529 165 165 ASP CB C 42.846 0.1 1 1530 165 165 ASP N N 125.970 0.1 1 stop_ save_