data_18312 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; 1H, 13C and 15N assignments of Cyclophilin A from Piriformospora indica, a plant root-colonizing basidiomycete fungus ; _BMRB_accession_number 18312 _BMRB_flat_file_name bmr18312.str _Entry_type original _Submission_date 2012-03-06 _Accession_date 2012-03-06 _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 Bhatt Harshesh . . 2 Trivedi 'Dipesh Kumar' . . 3 Tuteja Narendra . . 4 Bhavesh 'Neel Sarovar' . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 755 "13C chemical shifts" 665 "15N chemical shifts" 171 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2014-02-24 update BMRB 'update entry citation' 2012-06-18 original author 'original release' stop_ save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title 'Structure of RNA-interacting cyclophilin A-like protein from Piriformospora indica that provides salinity-stress tolerance in plants.' _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 24141523 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Trivedi 'Dipesh Kumar' . . 2 Bhatt Harshesh . . 3 Pal 'Ravi Kant' . . 4 Tuteja Renu . . 5 Garg Bharti . . 6 Johri 'Atul Kumar' . . 7 Bhavesh 'Neel Sarovar' . . 8 Tuteja Narendra . . stop_ _Journal_abbreviation 'Sci. Rep.' _Journal_name_full 'Scientific reports' _Journal_volume 3 _Journal_issue . _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 3001 _Page_last 3001 _Year 2013 _Details . save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name PiCyp_A _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label PiCyp_A $PiCyp_A 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_PiCyp_A _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common PiCyp_A _Molecular_mass . _Mol_thiol_state 'not present' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 167 _Mol_residue_sequence ; GSHMSQPNVYFDISIDNQNA GRIVFKLYDDVVPLTAKNFR ELAKNPAGQGYTGSTFHRII PQFMLQGGDFTNHNGTGGRS IYGNKFKDENFQLKHTKPGL LSMANAGPHTNGSQFFITTV VTSWLDGKHVVFGEVVEGMD VVKKVEAVGTQSGKPSKVVK ITASGTV ; loop_ _Residue_seq_code _Residue_label 1 GLY 2 SER 3 HIS 4 MET 5 SER 6 GLN 7 PRO 8 ASN 9 VAL 10 TYR 11 PHE 12 ASP 13 ILE 14 SER 15 ILE 16 ASP 17 ASN 18 GLN 19 ASN 20 ALA 21 GLY 22 ARG 23 ILE 24 VAL 25 PHE 26 LYS 27 LEU 28 TYR 29 ASP 30 ASP 31 VAL 32 VAL 33 PRO 34 LEU 35 THR 36 ALA 37 LYS 38 ASN 39 PHE 40 ARG 41 GLU 42 LEU 43 ALA 44 LYS 45 ASN 46 PRO 47 ALA 48 GLY 49 GLN 50 GLY 51 TYR 52 THR 53 GLY 54 SER 55 THR 56 PHE 57 HIS 58 ARG 59 ILE 60 ILE 61 PRO 62 GLN 63 PHE 64 MET 65 LEU 66 GLN 67 GLY 68 GLY 69 ASP 70 PHE 71 THR 72 ASN 73 HIS 74 ASN 75 GLY 76 THR 77 GLY 78 GLY 79 ARG 80 SER 81 ILE 82 TYR 83 GLY 84 ASN 85 LYS 86 PHE 87 LYS 88 ASP 89 GLU 90 ASN 91 PHE 92 GLN 93 LEU 94 LYS 95 HIS 96 THR 97 LYS 98 PRO 99 GLY 100 LEU 101 LEU 102 SER 103 MET 104 ALA 105 ASN 106 ALA 107 GLY 108 PRO 109 HIS 110 THR 111 ASN 112 GLY 113 SER 114 GLN 115 PHE 116 PHE 117 ILE 118 THR 119 THR 120 VAL 121 VAL 122 THR 123 SER 124 TRP 125 LEU 126 ASP 127 GLY 128 LYS 129 HIS 130 VAL 131 VAL 132 PHE 133 GLY 134 GLU 135 VAL 136 VAL 137 GLU 138 GLY 139 MET 140 ASP 141 VAL 142 VAL 143 LYS 144 LYS 145 VAL 146 GLU 147 ALA 148 VAL 149 GLY 150 THR 151 GLN 152 SER 153 GLY 154 LYS 155 PRO 156 SER 157 LYS 158 VAL 159 VAL 160 LYS 161 ILE 162 THR 163 ALA 164 SER 165 GLY 166 THR 167 VAL stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2014-03-04 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 4EYV "Crystal Structure Of Cyclophilin A Like Protein From Piriformospora Indica" 100.00 167 100.00 100.00 8.82e-118 EMBL CCA72484 "probable CPR1-cyclophilin (peptidylprolyl isomerase) [Piriformospora indica DSM 11827]" 98.20 164 100.00 100.00 1.99e-115 GB ACS71332 "cyclophilin [Piriformospora indica]" 98.20 164 100.00 100.00 1.99e-115 stop_ save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species $PiCyp_A 'Piriformospora indica' 65672 Eukaryota Fungi Piriformospora indica 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 $PiCyp_A 'recombinant technology' . Escherichia coli . pET28a 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 $PiCyp_A 1 mM '[U-99% 13C; U-99% 15N]' D2O 5 % [U-2H] 'sodium phosphate' 25 mM 'natural abundance' 'sodium chloride' 50 mM 'natural abundance' 'sodium azide' 0.01 % 'natural abundance' stop_ save_ ############################ # Computer software used # ############################ save_TOPSPIN _Saveframe_category software _Name TOPSPIN _Version . loop_ _Vendor _Address _Electronic_address 'Bruker Biospin' . . stop_ loop_ _Task collection processing stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _Field_strength 500 _Details . save_ save_spectrometer_2 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _Field_strength 700 _Details . save_ ############################# # NMR applied experiments # ############################# save_2D_1H-15N_HSQC_1 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N HSQC' _Sample_label $sample_1 save_ save_2D_1H-13C_HSQC_aliphatic_2 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-13C HSQC aliphatic' _Sample_label $sample_1 save_ save_2D_1H-13C_HSQC_aromatic_3 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-13C HSQC aromatic' _Sample_label $sample_1 save_ save_3D_HNCO_4 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCO' _Sample_label $sample_1 save_ save_3D_HNCA_5 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCA' _Sample_label $sample_1 save_ save_3D_HNCACB_6 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCACB' _Sample_label $sample_1 save_ save_3D_CBCA(CO)NH_7 _Saveframe_category NMR_applied_experiment _Experiment_name '3D CBCA(CO)NH' _Sample_label $sample_1 save_ save_3D_H(CCO)NH_8 _Saveframe_category NMR_applied_experiment _Experiment_name '3D H(CCO)NH' _Sample_label $sample_1 save_ save_3D_1H-15N_NOESY_9 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-15N NOESY' _Sample_label $sample_1 save_ save_3D_1H-13C_NOESY_aliphatic_10 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-13C NOESY aliphatic' _Sample_label $sample_1 save_ save_3D_1H-13C_NOESY_aromatic_11 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-13C NOESY aromatic' _Sample_label $sample_1 save_ save_NMR_spectrometer_expt _Saveframe_category NMR_applied_experiment _Experiment_name . _BMRB_pulse_sequence_accession_number . _Details . 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' 75 . mM pH 6.7 . pH pressure 1 . atm temperature 303 . K stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference_1 _Saveframe_category chemical_shift_reference _Details . loop_ _Mol_common_name _Atom_type _Atom_isotope_number _Atom_group _Chem_shift_units _Chem_shift_value _Reference_method _Reference_type _External_reference_sample_geometry _External_reference_location _External_reference_axis _Indirect_shift_ratio DSS C 13 'methyl protons' ppm 0.00 na indirect . . . 0.251449530 DSS H 1 'methyl protons' ppm 0.00 internal direct . . . 1.000000000 DSS N 15 'methyl protons' ppm 0.00 na indirect . . . 0.101329118 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chem_shift_list_1 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Experiment_label '2D 1H-15N HSQC' '2D 1H-13C HSQC aliphatic' stop_ loop_ _Sample_label $sample_1 stop_ _Sample_conditions_label $sample_conditions_1 _Chem_shift_reference_set_label $chemical_shift_reference_1 _Mol_system_component_name PiCyp_A _Text_data_format . _Text_data . loop_ _Atom_shift_assign_ID _Residue_author_seq_code _Residue_seq_code _Residue_label _Atom_name _Atom_type _Chem_shift_value _Chem_shift_value_error _Chem_shift_ambiguity_code 1 3 3 HIS HB3 H 3.12 0.02 1 2 3 3 HIS C C 175.1 0.3 1 3 3 3 HIS CA C 56.1 0.3 1 4 3 3 HIS CB C 30.8 0.3 1 5 4 4 MET H H 8.40 0.02 1 6 4 4 MET HA H 4.48 0.02 1 7 4 4 MET HB2 H 2.32 0.02 2 8 4 4 MET HB3 H 1.82 0.02 2 9 4 4 MET HG2 H 2.50 0.02 2 10 4 4 MET HG3 H 2.44 0.02 2 11 4 4 MET C C 175.9 0.3 1 12 4 4 MET CA C 55.4 0.3 1 13 4 4 MET CB C 32.9 0.3 1 14 4 4 MET CG C 31.8 0.3 1 15 4 4 MET N N 122.1 0.3 1 16 5 5 SER H H 8.40 0.02 1 17 5 5 SER HA H 4.51 0.02 1 18 5 5 SER HB3 H 3.85 0.02 1 19 5 5 SER C C 174.2 0.3 1 20 5 5 SER CA C 58.5 0.3 1 21 5 5 SER CB C 63.9 0.3 1 22 5 5 SER N N 117.9 0.3 1 23 6 6 GLN H H 8.70 0.02 1 24 6 6 GLN HA H 4.78 0.02 1 25 6 6 GLN HB2 H 1.99 0.02 2 26 6 6 GLN HB3 H 1.91 0.02 2 27 6 6 GLN HG2 H 2.29 0.02 1 28 6 6 GLN HE21 H 7.44 0.02 1 29 6 6 GLN HE22 H 6.80 0.02 1 30 6 6 GLN CA C 53.9 0.3 1 31 6 6 GLN CB C 28.5 0.3 1 32 6 6 GLN CG C 34.1 0.3 1 33 6 6 GLN N N 123.0 0.3 1 34 6 6 GLN NE2 N 112.2 0.3 1 35 7 7 PRO HA H 4.57 0.02 1 36 7 7 PRO HB2 H 2.27 0.02 2 37 7 7 PRO HB3 H 2.46 0.02 2 38 7 7 PRO HG2 H 2.18 0.02 2 39 7 7 PRO HG3 H 1.96 0.02 2 40 7 7 PRO HD2 H 3.72 0.02 1 41 7 7 PRO C C 177.3 0.3 1 42 7 7 PRO CA C 63.2 0.3 1 43 7 7 PRO CB C 33.3 0.3 1 44 7 7 PRO CG C 27.7 0.3 1 45 7 7 PRO CD C 50.4 0.3 1 46 8 8 ASN H H 8.69 0.02 1 47 8 8 ASN HA H 4.96 0.02 1 48 8 8 ASN HB2 H 3.01 0.02 2 49 8 8 ASN HB3 H 2.63 0.02 2 50 8 8 ASN HD21 H 7.66 0.02 1 51 8 8 ASN HD22 H 7.02 0.02 1 52 8 8 ASN C C 174.3 0.3 1 53 8 8 ASN CA C 53.0 0.3 1 54 8 8 ASN CB C 38.0 0.3 1 55 8 8 ASN N N 120.5 0.3 1 56 8 8 ASN ND2 N 112.5 0.3 1 57 9 9 VAL H H 8.16 0.02 1 58 9 9 VAL HA H 5.02 0.02 1 59 9 9 VAL HB H 1.85 0.02 1 60 9 9 VAL HG1 H 1.13 0.02 1 61 9 9 VAL HG2 H 0.92 0.02 1 62 9 9 VAL C C 174.0 0.3 1 63 9 9 VAL CA C 60.2 0.3 1 64 9 9 VAL CB C 36.4 0.3 1 65 9 9 VAL CG1 C 23.8 0.3 1 66 9 9 VAL CG2 C 22.1 0.3 1 67 9 9 VAL N N 118.6 0.3 1 68 10 10 TYR H H 8.91 0.02 1 69 10 10 TYR HA H 4.34 0.02 1 70 10 10 TYR HB2 H 2.79 0.02 2 71 10 10 TYR HB3 H 2.52 0.02 2 72 10 10 TYR HD1 H 6.53 0.02 1 73 10 10 TYR HE1 H 6.54 0.02 1 74 10 10 TYR C C 173.3 0.3 1 75 10 10 TYR CA C 55.0 0.3 1 76 10 10 TYR CB C 42.7 0.3 1 77 10 10 TYR CD2 C 133.3 0.3 1 78 10 10 TYR CE1 C 117.6 0.3 1 79 10 10 TYR N N 122.7 0.3 1 80 11 11 PHE H H 9.14 0.02 1 81 11 11 PHE HA H 5.55 0.02 1 82 11 11 PHE HB3 H 3.23 0.02 1 83 11 11 PHE HD1 H 6.98 0.02 1 84 11 11 PHE HE1 H 6.71 0.02 1 85 11 11 PHE HZ H 7.54 0.02 1 86 11 11 PHE C C 175.6 0.3 1 87 11 11 PHE CA C 53.0 0.3 1 88 11 11 PHE CB C 43.4 0.3 1 89 11 11 PHE CD2 C 130.4 0.3 1 90 11 11 PHE CE1 C 128.5 0.3 1 91 11 11 PHE CZ C 129.8 0.3 1 92 11 11 PHE N N 115.9 0.3 1 93 12 12 ASP H H 9.29 0.02 1 94 12 12 ASP HA H 5.63 0.02 1 95 12 12 ASP HB2 H 2.70 0.02 2 96 12 12 ASP HB3 H 2.55 0.02 2 97 12 12 ASP C C 175.8 0.3 1 98 12 12 ASP CA C 55.0 0.3 1 99 12 12 ASP CB C 42.6 0.3 1 100 12 12 ASP N N 124.0 0.3 1 101 13 13 ILE H H 8.69 0.02 1 102 13 13 ILE HA H 5.42 0.02 1 103 13 13 ILE HB H 1.970 0.02 1 104 13 13 ILE HG13 H 1.82 0.02 1 105 13 13 ILE HG2 H 0.65 0.02 1 106 13 13 ILE HD1 H 0.71 0.02 1 107 13 13 ILE C C 176.1 0.3 1 108 13 13 ILE CA C 57.2 0.3 1 109 13 13 ILE CB C 39.2 0.3 1 110 13 13 ILE CG1 C 26.9 0.3 1 111 13 13 ILE CG2 C 20.7 0.3 1 112 13 13 ILE CD1 C 18.2 0.3 1 113 13 13 ILE N N 121.9 0.3 1 114 14 14 SER H H 9.73 0.02 1 115 14 14 SER HA H 5.35 0.02 1 116 14 14 SER HB2 H 3.72 0.02 2 117 14 14 SER HB3 H 3.57 0.02 2 118 14 14 SER C C 173.2 0.3 1 119 14 14 SER CA C 56.0 0.3 1 120 14 14 SER CB C 66.6 0.3 1 121 14 14 SER N N 122.0 0.3 1 122 15 15 ILE H H 8.74 0.02 1 123 15 15 ILE HA H 4.73 0.02 1 124 15 15 ILE HB H 1.75 0.02 1 125 15 15 ILE HG13 H 1.50 0.02 1 126 15 15 ILE HG2 H 0.78 0.02 1 127 15 15 ILE HD1 H 0.73 0.02 1 128 15 15 ILE C C 177.1 0.3 1 129 15 15 ILE CA C 60.6 0.3 1 130 15 15 ILE CB C 40.4 0.3 1 131 15 15 ILE CG1 C 27.6 0.3 1 132 15 15 ILE CG2 C 17.3 0.3 1 133 15 15 ILE CD1 C 13.5 0.3 1 134 15 15 ILE N N 121.4 0.3 1 135 16 16 ASP H H 9.96 0.02 1 136 16 16 ASP HA H 4.39 0.02 1 137 16 16 ASP HB2 H 3.29 0.02 2 138 16 16 ASP HB3 H 2.30 0.02 2 139 16 16 ASP C C 175.1 0.3 1 140 16 16 ASP CA C 55.7 0.3 1 141 16 16 ASP CB C 40.5 0.3 1 142 16 16 ASP N N 131.2 0.3 1 143 17 17 ASN H H 8.98 0.02 1 144 17 17 ASN HA H 4.15 0.02 1 145 17 17 ASN HB2 H 3.11 0.02 2 146 17 17 ASN HB3 H 3.03 0.02 2 147 17 17 ASN HD21 H 7.70 0.02 1 148 17 17 ASN HD22 H 6.99 0.02 1 149 17 17 ASN C C 173.9 0.3 1 150 17 17 ASN CA C 54.9 0.3 1 151 17 17 ASN CB C 37.9 0.3 1 152 17 17 ASN N N 108.1 0.3 1 153 17 17 ASN ND2 N 114.7 0.3 1 154 18 18 GLN H H 7.78 0.02 1 155 18 18 GLN HA H 4.68 0.02 1 156 18 18 GLN HB2 H 2.13 0.02 2 157 18 18 GLN HB3 H 2.06 0.02 2 158 18 18 GLN HG2 H 2.43 0.02 2 159 18 18 GLN HG3 H 2.37 0.02 2 160 18 18 GLN HE21 H 7.53 0.02 1 161 18 18 GLN HE22 H 6.81 0.02 1 162 18 18 GLN C C 175.9 0.3 1 163 18 18 GLN CA C 54.0 0.3 1 164 18 18 GLN CB C 30.2 0.3 1 165 18 18 GLN CG C 33.3 0.3 1 166 18 18 GLN N N 118.4 0.3 1 167 18 18 GLN NE2 N 111.9 0.3 1 168 19 19 ASN H H 9.10 0.02 1 169 19 19 ASN HA H 4.50 0.02 1 170 19 19 ASN HB3 H 2.83 0.02 1 171 19 19 ASN C C 175.4 0.3 1 172 19 19 ASN CA C 55.5 0.3 1 173 19 19 ASN CB C 38.2 0.3 1 174 19 19 ASN N N 125.2 0.3 1 175 20 20 ALA H H 9.55 0.02 1 176 20 20 ALA HA H 4.64 0.02 1 177 20 20 ALA HB H 1.30 0.02 1 178 20 20 ALA C C 175.9 0.3 1 179 20 20 ALA CA C 51.7 0.3 1 180 20 20 ALA CB C 20.6 0.3 1 181 20 20 ALA N N 128.6 0.3 1 182 21 21 GLY H H 7.72 0.02 1 183 21 21 GLY HA2 H 4.67 0.02 2 184 21 21 GLY HA3 H 3.73 0.02 2 185 21 21 GLY C C 170.7 0.3 1 186 21 21 GLY CA C 44.1 0.3 1 187 21 21 GLY N N 105.8 0.3 1 188 22 22 ARG H H 8.11 0.02 1 189 22 22 ARG HA H 5.66 0.02 1 190 22 22 ARG HB2 H 2.00 0.02 2 191 22 22 ARG HB3 H 1.59 0.02 2 192 22 22 ARG HG2 H 1.33 0.02 2 193 22 22 ARG HG3 H 1.57 0.02 2 194 22 22 ARG HD2 H 2.69 0.02 1 195 22 22 ARG C C 175.2 0.3 1 196 22 22 ARG CA C 54.4 0.3 1 197 22 22 ARG CB C 34.5 0.3 1 198 22 22 ARG CG C 27.3 0.3 1 199 22 22 ARG CD C 42.9 0.3 1 200 22 22 ARG N N 120.7 0.3 1 201 23 23 ILE H H 9.27 0.02 1 202 23 23 ILE HA H 4.53 0.02 1 203 23 23 ILE HB H 1.27 0.02 1 204 23 23 ILE HG13 H 0.22 0.02 1 205 23 23 ILE HG2 H 0.80 0.02 1 206 23 23 ILE HD1 H 0.79 0.02 1 207 23 23 ILE C C 174.5 0.3 1 208 23 23 ILE CA C 60.0 0.3 1 209 23 23 ILE CB C 41.1 0.3 1 210 23 23 ILE CG1 C 22.29 0.3 1 211 23 23 ILE CG2 C 19.2 0.3 1 212 23 23 ILE CD1 C 14.3 0.3 1 213 23 23 ILE N N 125.4 0.3 1 214 24 24 VAL H H 8.28 0.02 1 215 24 24 VAL HA H 4.79 0.02 1 216 24 24 VAL HB H 1.65 0.02 1 217 24 24 VAL HG1 H 0.98 0.02 1 218 24 24 VAL HG2 H 0.75 0.02 1 219 24 24 VAL C C 174.5 0.3 1 220 24 24 VAL CA C 60.6 0.3 1 221 24 24 VAL CB C 34.0 0.3 1 222 24 24 VAL CG1 C 23.3 0.3 1 223 24 24 VAL CG2 C 21.0 0.3 1 224 24 24 VAL N N 124.3 0.3 1 225 25 25 PHE H H 9.86 0.02 1 226 25 25 PHE HA H 5.36 0.02 1 227 25 25 PHE HB2 H 2.52 0.02 2 228 25 25 PHE HB3 H 2.43 0.02 2 229 25 25 PHE HD1 H 6.49 0.02 1 230 25 25 PHE HE1 H 6.11 0.02 1 231 25 25 PHE HZ H 6.97 0.02 1 232 25 25 PHE C C 174.7 0.3 1 233 25 25 PHE CA C 55.4 0.3 1 234 25 25 PHE CB C 42.6 0.3 1 235 25 25 PHE CD2 C 132.1 0.3 1 236 25 25 PHE CE1 C 130.3 0.3 1 237 25 25 PHE CZ C 131.5 0.3 1 238 25 25 PHE N N 125.9 0.3 1 239 26 26 LYS H H 8.86 0.02 1 240 26 26 LYS HA H 4.68 0.02 1 241 26 26 LYS HB2 H 1.73 0.02 2 242 26 26 LYS HB3 H 1.56 0.02 2 243 26 26 LYS HG2 H 1.27 0.02 1 244 26 26 LYS HD2 H 1.66 0.02 1 245 26 26 LYS HE2 H 2.98 0.02 1 246 26 26 LYS C C 174.8 0.3 1 247 26 26 LYS CA C 54.2 0.3 1 248 26 26 LYS CB C 35.9 0.3 1 249 26 26 LYS CG C 25.0 0.3 1 250 26 26 LYS CD C 29.6 0.3 1 251 26 26 LYS CE C 42.3 0.3 1 252 26 26 LYS N N 123.9 0.3 1 253 27 27 LEU H H 9.29 0.02 1 254 27 27 LEU HA H 4.74 0.02 1 255 27 27 LEU HB2 H 2.13 0.02 1 256 27 27 LEU HG H 1.20 0.02 1 257 27 27 LEU HD2 H 0.50 0.02 1 258 27 27 LEU C C 174.9 0.3 1 259 27 27 LEU CA C 54.2 0.3 1 260 27 27 LEU CB C 42.3 0.3 1 261 27 27 LEU CG C 30.2 0.3 1 262 27 27 LEU CD2 C 23.7 0.3 1 263 27 27 LEU N N 124.8 0.3 1 264 28 28 TYR H H 8.44 0.02 1 265 28 28 TYR HA H 5.37 0.02 1 266 28 28 TYR HB2 H 3.09 0.02 2 267 28 28 TYR HB3 H 2.72 0.02 2 268 28 28 TYR HD1 H 6.70 0.02 1 269 28 28 TYR HE1 H 6.47 0.02 1 270 28 28 TYR C C 177.3 0.3 1 271 28 28 TYR CA C 52.5 0.3 1 272 28 28 TYR CB C 35.2 0.3 1 273 28 28 TYR CD2 C 132.1 0.3 1 274 28 28 TYR CE1 C 117.5 0.3 1 275 28 28 TYR N N 122.3 0.3 1 276 29 29 ASP H H 8.03 0.02 1 277 29 29 ASP HA H 3.90 0.02 1 278 29 29 ASP HB2 H 2.63 0.02 2 279 29 29 ASP HB3 H 2.45 0.02 2 280 29 29 ASP C C 175.3 0.3 1 281 29 29 ASP CA C 58.3 0.3 1 282 29 29 ASP CB C 42.4 0.3 1 283 29 29 ASP N N 120.5 0.3 1 284 30 30 ASP H H 8.90 0.02 1 285 30 30 ASP HA H 4.34 0.02 1 286 30 30 ASP HB2 H 2.70 0.02 2 287 30 30 ASP HB3 H 2.63 0.02 2 288 30 30 ASP C C 176.3 0.3 1 289 30 30 ASP CA C 55.5 0.3 1 290 30 30 ASP CB C 39.4 0.3 1 291 30 30 ASP N N 111.2 0.3 1 292 31 31 VAL H H 7.45 0.02 1 293 31 31 VAL HA H 4.11 0.02 1 294 31 31 VAL HB H 1.92 0.02 1 295 31 31 VAL HG1 H 1.05 0.02 1 296 31 31 VAL HG2 H 0.89 0.02 1 297 31 31 VAL C C 176.1 0.3 1 298 31 31 VAL CA C 64.0 0.3 1 299 31 31 VAL CB C 35.1 0.3 1 300 31 31 VAL CG1 C 22.0 0.3 1 301 31 31 VAL CG2 C 21.6 0.3 1 302 31 31 VAL N N 118.9 0.3 1 303 32 32 VAL H H 8.01 0.02 1 304 32 32 VAL HA H 3.41 0.02 1 305 32 32 VAL HB H 2.17 0.02 1 306 32 32 VAL HG2 H 0.69 0.02 1 307 32 32 VAL C C 172.0 0.3 1 308 32 32 VAL CA C 57.1 0.3 1 309 32 32 VAL CB C 31.3 0.3 1 310 32 32 VAL CG1 C 24.6 0.3 1 311 32 32 VAL N N 112.1 0.3 1 312 33 33 PRO HA H 4.47 0.02 1 313 33 33 PRO HB3 H 2.70 0.02 1 314 33 33 PRO HG2 H 2.08 0.02 1 315 33 33 PRO HD2 H 3.61 0.02 1 316 33 33 PRO C C 181.5 0.3 1 317 33 33 PRO CA C 65.9 0.3 1 318 33 33 PRO CB C 31.7 0.3 1 319 33 33 PRO CG C 27.4 0.3 1 320 33 33 PRO CD C 50.6 0.3 1 321 34 34 LEU H H 10.67 0.02 1 322 34 34 LEU HA H 4.18 0.02 1 323 34 34 LEU HB2 H 1.07 0.02 1 324 34 34 LEU HG H 1.66 0.02 1 325 34 34 LEU HD2 H 0.74 0.02 1 326 34 34 LEU C C 182.0 0.3 1 327 34 34 LEU CA C 58.1 0.3 1 328 34 34 LEU CB C 40.7 0.3 1 329 34 34 LEU CG C 27.2 0.3 1 330 34 34 LEU CD2 C 25.2 0.3 1 331 34 34 LEU N N 122.1 0.3 1 332 35 35 THR H H 10.05 0.02 1 333 35 35 THR HA H 4.01 0.02 1 334 35 35 THR HB H 4.20 0.02 1 335 35 35 THR HG2 H 0.88 0.02 1 336 35 35 THR C C 177.3 0.3 1 337 35 35 THR CA C 67.3 0.3 1 338 35 35 THR CB C 68.6 0.3 1 339 35 35 THR CG2 C 22.6 0.3 1 340 35 35 THR N N 124.6 0.3 1 341 36 36 ALA H H 9.05 0.02 1 342 36 36 ALA HA H 4.11 0.02 1 343 36 36 ALA HB H 1.49 0.02 1 344 36 36 ALA C C 174.3 0.3 1 345 36 36 ALA CA C 55.8 0.3 1 346 36 36 ALA CB C 19.3 0.3 1 347 36 36 ALA N N 126.4 0.3 1 348 37 37 LYS H H 8.00 0.02 1 349 37 37 LYS HA H 4.10 0.02 1 350 37 37 LYS HB3 H 1.87 0.02 1 351 37 37 LYS HG2 H 1.57 0.02 1 352 37 37 LYS HD2 H 1.77 0.02 1 353 37 37 LYS HE2 H 2.92 0.02 1 354 37 37 LYS C C 177.6 0.3 1 355 37 37 LYS CA C 59.6 0.3 1 356 37 37 LYS CB C 32.5 0.3 1 357 37 37 LYS CG C 25.0 0.3 1 358 37 37 LYS CD C 29.6 0.3 1 359 37 37 LYS CE C 42.0 0.3 1 360 37 37 LYS N N 116.6 0.3 1 361 38 38 ASN H H 7.20 0.02 1 362 38 38 ASN HA H 3.99 0.02 1 363 38 38 ASN HB2 H 2.94 0.02 2 364 38 38 ASN HB3 H 2.34 0.02 2 365 38 38 ASN HD21 H 7.56 0.02 1 366 38 38 ASN HD22 H 6.91 0.02 1 367 38 38 ASN C C 174.4 0.3 1 368 38 38 ASN CA C 56.9 0.3 1 369 38 38 ASN CB C 39.8 0.3 1 370 38 38 ASN N N 114.5 0.3 1 371 38 38 ASN ND2 N 112.7 0.3 1 372 39 39 PHE H H 7.02 0.02 1 373 39 39 PHE HA H 4.35 0.02 1 374 39 39 PHE HB3 H 3.25 0.02 1 375 39 39 PHE HD1 H 7.22 0.02 1 376 39 39 PHE HE1 H 7.22 0.02 1 377 39 39 PHE C C 176.8 0.3 1 378 39 39 PHE CA C 61.2 0.3 1 379 39 39 PHE CB C 40.5 0.3 1 380 39 39 PHE CD2 C 130.4 0.3 1 381 39 39 PHE CE1 C 131.9 0.3 1 382 39 39 PHE N N 117.3 0.3 1 383 40 40 ARG H H 8.55 0.02 1 384 40 40 ARG HA H 3.68 0.02 1 385 40 40 ARG HB3 H 1.90 0.02 1 386 40 40 ARG HG2 H 1.40 0.02 1 387 40 40 ARG HD2 H 3.30 0.02 1 388 40 40 ARG C C 178.1 0.3 1 389 40 40 ARG CA C 60.5 0.3 1 390 40 40 ARG CB C 30.1 0.3 1 391 40 40 ARG CG C 30.3 0.3 1 392 40 40 ARG CD C 42.1 0.3 1 393 40 40 ARG N N 117.7 0.3 1 394 41 41 GLU H H 8.75 0.02 1 395 41 41 GLU HA H 3.91 0.02 1 396 41 41 GLU HB2 H 2.18 0.02 2 397 41 41 GLU HB3 H 1.94 0.02 2 398 41 41 GLU HG2 H 2.43 0.02 2 399 41 41 GLU HG3 H 2.22 0.02 2 400 41 41 GLU C C 179.9 0.3 1 401 41 41 GLU CA C 59.1 0.3 1 402 41 41 GLU CB C 29.0 0.3 1 403 41 41 GLU CG C 36.6 0.3 1 404 41 41 GLU N N 115.6 0.3 1 405 42 42 LEU H H 7.96 0.02 1 406 42 42 LEU HA H 3.72 0.02 1 407 42 42 LEU HB2 H 1.58 0.02 1 408 42 42 LEU HG H 0.94 0.02 1 409 42 42 LEU HD2 H 0.63 0.02 1 410 42 42 LEU C C 174.5 0.3 1 411 42 42 LEU CA C 57.6 0.3 1 412 42 42 LEU CB C 41.6 0.3 1 413 42 42 LEU CG C 26.8 0.3 1 414 42 42 LEU CD2 C 23.0 0.3 1 415 42 42 LEU N N 118.4 0.3 1 416 43 43 ALA H H 8.15 0.02 1 417 43 43 ALA HA H 4.06 0.02 1 418 43 43 ALA HB H 1.48 0.02 1 419 43 43 ALA C C 178.7 0.3 1 420 43 43 ALA CA C 54.4 0.3 1 421 43 43 ALA CB C 18.6 0.3 1 422 43 43 ALA N N 122.5 0.3 1 423 44 44 LYS H H 7.44 0.02 1 424 44 44 LYS HA H 4.22 0.02 1 425 44 44 LYS HB2 H 2.00 0.02 2 426 44 44 LYS HB3 H 1.80 0.02 2 427 44 44 LYS HG2 H 1.47 0.02 1 428 44 44 LYS HD2 H 1.69 0.02 2 429 44 44 LYS HD3 H 1.57 0.02 2 430 44 44 LYS HE2 H 2.91 0.02 1 431 44 44 LYS C C 176.8 0.3 1 432 44 44 LYS CA C 57.3 0.3 1 433 44 44 LYS CB C 33.3 0.3 1 434 44 44 LYS CG C 24.6 0.3 1 435 44 44 LYS CD C 29.5 0.3 1 436 44 44 LYS CE C 41.1 0.3 1 437 44 44 LYS N N 116.7 0.3 1 438 45 45 ASN H H 6.91 0.02 1 439 45 45 ASN HA H 3.71 0.02 1 440 45 45 ASN HB2 H 2.42 0.02 2 441 45 45 ASN HB3 H 2.28 0.02 2 442 45 45 ASN HD21 H 7.28 0.02 1 443 45 45 ASN HD22 H 6.24 0.02 1 444 45 45 ASN C C 173.1 0.3 1 445 45 45 ASN CA C 50.1 0.3 1 446 45 45 ASN CB C 38.0 0.3 1 447 45 45 ASN N N 119.0 0.3 1 448 45 45 ASN ND2 N 111.5 0.3 1 449 46 46 PRO HA H 4.48 0.02 1 450 46 46 PRO HB3 H 2.33 0.02 1 451 46 46 PRO HG2 H 1.99 0.02 2 452 46 46 PRO HG3 H 1.80 0.02 2 453 46 46 PRO HD2 H 3.15 0.02 1 454 46 46 PRO C C 175.4 0.3 1 455 46 46 PRO CA C 62.3 0.3 1 456 46 46 PRO CB C 32.4 0.3 1 457 46 46 PRO CG C 27.5 0.3 1 458 46 46 PRO CD C 50.0 0.3 1 459 47 47 ALA H H 8.47 0.02 1 460 47 47 ALA HA H 4.04 0.02 1 461 47 47 ALA HB H 1.36 0.02 1 462 47 47 ALA C C 178.4 0.3 1 463 47 47 ALA CA C 53.6 0.3 1 464 47 47 ALA CB C 18.3 0.3 1 465 47 47 ALA N N 121.9 0.3 1 466 48 48 GLY H H 8.88 0.02 1 467 48 48 GLY HA2 H 4.54 0.02 2 468 48 48 GLY HA3 H 3.92 0.02 2 469 48 48 GLY C C 174.3 0.3 1 470 48 48 GLY CA C 45.2 0.3 1 471 48 48 GLY N N 111.9 0.3 1 472 49 49 GLN H H 8.01 0.02 1 473 49 49 GLN HA H 4.40 0.02 1 474 49 49 GLN HB2 H 2.29 0.02 2 475 49 49 GLN HB3 H 1.50 0.02 2 476 49 49 GLN HG2 H 2.19 0.02 1 477 49 49 GLN HE21 H 7.45 0.02 1 478 49 49 GLN HE22 H 6.91 0.02 1 479 49 49 GLN C C 174.2 0.3 1 480 49 49 GLN CA C 54.2 0.3 1 481 49 49 GLN CB C 30.1 0.3 1 482 49 49 GLN CG C 33.3 0.3 1 483 49 49 GLN N N 116.6 0.3 1 484 49 49 GLN NE2 N 111.6 0.3 1 485 50 50 GLY H H 6.40 0.02 1 486 50 50 GLY HA2 H 3.69 0.02 2 487 50 50 GLY HA3 H 2.63 0.02 2 488 50 50 GLY C C 171.8 0.3 1 489 50 50 GLY CA C 44.8 0.3 1 490 50 50 GLY N N 107.4 0.3 1 491 51 51 TYR H H 6.58 0.02 1 492 51 51 TYR HA H 4.39 0.02 1 493 51 51 TYR HB2 H 2.81 0.02 2 494 51 51 TYR HB3 H 2.31 0.02 2 495 51 51 TYR HD1 H 6.83 0.02 1 496 51 51 TYR HE1 H 6.80 0.02 1 497 51 51 TYR C C 178.4 0.3 1 498 51 51 TYR CA C 57.8 0.3 1 499 51 51 TYR CB C 37.7 0.3 1 500 51 51 TYR CD2 C 131.5 0.3 1 501 51 51 TYR CE1 C 118.4 0.3 1 502 51 51 TYR N N 117.8 0.3 1 503 52 52 THR H H 9.73 0.02 1 504 52 52 THR HA H 3.56 0.02 1 505 52 52 THR HB H 4.03 0.02 1 506 52 52 THR HG2 H 1.19 0.02 1 507 52 52 THR C C 174.3 0.3 1 508 52 52 THR CA C 67.2 0.3 1 509 52 52 THR CB C 68.1 0.3 1 510 52 52 THR CG2 C 21.3 0.3 1 511 52 52 THR N N 122.4 0.3 1 512 53 53 GLY H H 9.21 0.02 1 513 53 53 GLY HA2 H 4.48 0.02 2 514 53 53 GLY HA3 H 3.71 0.02 2 515 53 53 GLY C C 173.9 0.3 1 516 53 53 GLY CA C 45.3 0.3 1 517 53 53 GLY N N 117.6 0.3 1 518 54 54 SER H H 8.27 0.02 1 519 54 54 SER HA H 4.89 0.02 1 520 54 54 SER HB3 H 4.11 0.02 1 521 54 54 SER C C 171.7 0.3 1 522 54 54 SER CA C 58.2 0.3 1 523 54 54 SER CB C 65.2 0.3 1 524 54 54 SER N N 115.6 0.3 1 525 55 55 THR H H 9.46 0.02 1 526 55 55 THR HA H 5.75 0.02 1 527 55 55 THR HB H 4.46 0.02 1 528 55 55 THR HG2 H 1.15 0.02 1 529 55 55 THR C C 177.3 0.3 1 530 55 55 THR CA C 60.4 0.3 1 531 55 55 THR CB C 73.2 0.3 1 532 55 55 THR CG2 C 21.5 0.3 1 533 55 55 THR N N 107.5 0.3 1 534 56 56 PHE H H 8.26 0.02 1 535 56 56 PHE HA H 4.97 0.02 1 536 56 56 PHE HB3 H 2.69 0.02 1 537 56 56 PHE HD1 H 6.98 0.02 1 538 56 56 PHE HE1 H 7.20 0.02 1 539 56 56 PHE C C 175.1 0.3 1 540 56 56 PHE CA C 58.4 0.3 1 541 56 56 PHE CB C 38.7 0.3 1 542 56 56 PHE CD2 C 131.2 0.3 1 543 56 56 PHE CE1 C 130.8 0.3 1 544 56 56 PHE N N 121.9 0.3 1 545 57 57 HIS H H 7.42 0.02 1 546 57 57 HIS HA H 4.69 0.02 1 547 57 57 HIS HB2 H 3.29 0.02 2 548 57 57 HIS HB3 H 2.73 0.02 2 549 57 57 HIS C C 174.7 0.3 1 550 57 57 HIS CA C 57.1 0.3 1 551 57 57 HIS CB C 31.8 0.3 1 552 57 57 HIS N N 119.5 0.3 1 553 58 58 ARG H H 7.06 0.02 1 554 58 58 ARG HA H 5.09 0.02 1 555 58 58 ARG HB2 H 1.41 0.02 2 556 58 58 ARG HB3 H 1.29 0.02 2 557 58 58 ARG HG2 H 1.21 0.02 1 558 58 58 ARG HD2 H 3.23 0.02 1 559 58 58 ARG C C 173.3 0.3 1 560 58 58 ARG CA C 55.0 0.3 1 561 58 58 ARG CB C 33.2 0.3 1 562 58 58 ARG CG C 28.1 0.3 1 563 58 58 ARG CD C 43.4 0.3 1 564 58 58 ARG N N 123.6 0.3 1 565 59 59 ILE H H 9.17 0.02 1 566 59 59 ILE HA H 4.48 0.02 1 567 59 59 ILE HB H 1.47 0.02 1 568 59 59 ILE HG13 H 1.53 0.02 1 569 59 59 ILE HG2 H 0.76 0.02 1 570 59 59 ILE HD1 H 0.88 0.02 1 571 59 59 ILE C C 173.4 0.3 1 572 59 59 ILE CA C 61.2 0.3 1 573 59 59 ILE CB C 43.3 0.3 1 574 59 59 ILE CG1 C 23.8 0.3 1 575 59 59 ILE CG2 C 20.9 0.3 1 576 59 59 ILE CD1 C 15.4 0.3 1 577 59 59 ILE N N 127.2 0.3 1 578 60 60 ILE H H 8.71 0.02 1 579 60 60 ILE HA H 4.77 0.02 1 580 60 60 ILE HB H 1.75 0.02 1 581 60 60 ILE HG12 H 1.24 0.02 2 582 60 60 ILE HG13 H 1.10 0.02 2 583 60 60 ILE HG2 H 0.95 0.02 1 584 60 60 ILE HD1 H 0.98 0.02 1 585 60 60 ILE C C 173.3 0.3 1 586 60 60 ILE CA C 56.7 0.3 1 587 60 60 ILE CB C 40.3 0.3 1 588 60 60 ILE CG1 C 25.2 0.3 1 589 60 60 ILE CG2 C 13.6 0.3 1 590 60 60 ILE CD1 C 11.9 0.3 1 591 60 60 ILE N N 127.2 0.3 1 592 61 61 PRO HA H 4.23 0.02 1 593 61 61 PRO HB3 H 1.97 0.02 1 594 61 61 PRO C C 176.2 0.3 1 595 61 61 PRO CA C 62.7 0.3 1 596 61 61 PRO CB C 31.7 0.3 1 597 62 62 GLN H H 9.58 0.02 1 598 62 62 GLN HA H 3.63 0.02 1 599 62 62 GLN HB2 H 2.38 0.02 2 600 62 62 GLN HB3 H 2.27 0.02 2 601 62 62 GLN HG2 H 2.19 0.02 2 602 62 62 GLN HG3 H 2.33 0.02 2 603 62 62 GLN HE21 H 6.86 0.02 1 604 62 62 GLN HE22 H 6.85 0.02 1 605 62 62 GLN C C 173.2 0.3 1 606 62 62 GLN CA C 57.6 0.3 1 607 62 62 GLN CB C 25.7 0.3 1 608 62 62 GLN CG C 35.1 0.3 1 609 62 62 GLN N N 116.0 0.3 1 610 62 62 GLN NE2 N 105.9 0.3 1 611 63 63 PHE H H 7.61 0.02 1 612 63 63 PHE HA H 5.04 0.02 1 613 63 63 PHE HB2 H 2.89 0.02 2 614 63 63 PHE HB3 H 2.95 0.02 2 615 63 63 PHE HD1 H 7.23 0.02 1 616 63 63 PHE C C 173.4 0.3 1 617 63 63 PHE CA C 57.8 0.3 1 618 63 63 PHE CB C 39.0 0.3 1 619 63 63 PHE CD2 C 130.2 0.3 1 620 63 63 PHE N N 113.6 0.3 1 621 64 64 MET H H 8.28 0.02 1 622 64 64 MET HA H 5.20 0.02 1 623 64 64 MET C C 172.4 0.3 1 624 64 64 MET CA C 54.7 0.3 1 625 64 64 MET CB C 32.6 0.3 1 626 64 64 MET CG C 33.4 0.3 1 627 64 64 MET N N 112.0 0.3 1 628 65 65 LEU H H 8.58 0.02 1 629 65 65 LEU HA H 3.42 0.02 1 630 65 65 LEU HB2 H 1.77 0.02 2 631 65 65 LEU HB3 H 1.54 0.02 2 632 65 65 LEU HG H 1.48 0.02 1 633 65 65 LEU HD1 H 0.61 0.02 1 634 65 65 LEU HD2 H 0.69 0.02 1 635 65 65 LEU C C 176.8 0.3 1 636 65 65 LEU CA C 54.9 0.3 1 637 65 65 LEU CB C 44.2 0.3 1 638 65 65 LEU CG C 27.7 0.3 1 639 65 65 LEU CD1 C 26.3 0.3 1 640 65 65 LEU CD2 C 24.4 0.3 1 641 65 65 LEU N N 117.8 0.3 1 642 66 66 GLN H H 9.27 0.02 1 643 66 66 GLN HA H 5.45 0.02 1 644 66 66 GLN HB2 H 2.12 0.02 2 645 66 66 GLN HB3 H 1.80 0.02 2 646 66 66 GLN HG2 H 2.50 0.02 1 647 66 66 GLN HE22 H 6.93 0.02 1 648 66 66 GLN C C 174.3 0.3 1 649 66 66 GLN CA C 54.4 0.3 1 650 66 66 GLN CB C 30.5 0.3 1 651 66 66 GLN CG C 33.3 0.3 1 652 66 66 GLN N N 123.3 0.3 1 653 66 66 GLN NE2 N 112.6 0.3 1 654 67 67 GLY H H 7.54 0.02 1 655 67 67 GLY HA2 H 4.76 0.02 1 656 67 67 GLY C C 173.4 0.3 1 657 67 67 GLY CA C 44.2 0.3 1 658 67 67 GLY N N 110.8 0.3 1 659 68 68 GLY H H 9.59 0.02 1 660 68 68 GLY HA2 H 4.81 0.02 2 661 68 68 GLY HA3 H 3.84 0.02 2 662 68 68 GLY C C 175.5 0.3 1 663 68 68 GLY CA C 46.5 0.3 1 664 68 68 GLY N N 105.6 0.3 1 665 69 69 ASP H H 10.03 0.02 1 666 69 69 ASP HA H 4.39 0.02 1 667 69 69 ASP HB3 H 2.60 0.02 1 668 69 69 ASP C C 176.0 0.3 1 669 69 69 ASP CA C 51.5 0.3 1 670 69 69 ASP CB C 38.4 0.3 1 671 69 69 ASP N N 124.8 0.3 1 672 70 70 PHE H H 6.74 0.02 1 673 70 70 PHE HA H 4.51 0.02 1 674 70 70 PHE HB3 H 2.51 0.02 1 675 70 70 PHE HD1 H 6.95 0.02 1 676 70 70 PHE HE1 H 7.18 0.02 1 677 70 70 PHE C C 173.5 0.3 1 678 70 70 PHE CA C 56.3 0.3 1 679 70 70 PHE CB C 39.5 0.3 1 680 70 70 PHE CD2 C 131.8 0.3 1 681 70 70 PHE CE1 C 129.1 0.3 1 682 70 70 PHE N N 115.5 0.3 1 683 71 71 THR H H 7.16 0.02 1 684 71 71 THR HA H 4.47 0.02 1 685 71 71 THR HB H 4.05 0.02 1 686 71 71 THR HG2 H 0.62 0.02 1 687 71 71 THR C C 174.2 0.3 1 688 71 71 THR CA C 61.7 0.3 1 689 71 71 THR CB C 68.6 0.3 1 690 71 71 THR CG2 C 21.8 0.3 1 691 71 71 THR N N 109.0 0.3 1 692 72 72 ASN H H 8.51 0.02 1 693 72 72 ASN HA H 4.76 0.02 1 694 72 72 ASN HB2 H 2.86 0.02 2 695 72 72 ASN HB3 H 2.60 0.02 2 696 72 72 ASN HD21 H 7.47 0.02 1 697 72 72 ASN HD22 H 6.69 0.02 1 698 72 72 ASN C C 175.3 0.3 1 699 72 72 ASN CA C 52.8 0.3 1 700 72 72 ASN CB C 39.3 0.3 1 701 72 72 ASN N N 120.4 0.3 1 702 72 72 ASN ND2 N 111.1 0.3 1 703 73 73 HIS H H 7.63 0.02 1 704 73 73 HIS HA H 4.89 0.02 1 705 73 73 HIS HB2 H 3.29 0.02 2 706 73 73 HIS HB3 H 2.98 0.02 2 707 73 73 HIS C C 175.1 0.3 1 708 73 73 HIS CA C 57.4 0.3 1 709 73 73 HIS CB C 31.9 0.3 1 710 73 73 HIS N N 119.9 0.3 1 711 74 74 ASN H H 7.56 0.02 1 712 74 74 ASN HA H 4.67 0.02 1 713 74 74 ASN HB3 H 2.74 0.02 1 714 74 74 ASN HD21 H 7.70 0.02 1 715 74 74 ASN HD22 H 6.93 0.02 1 716 74 74 ASN C C 175.9 0.3 1 717 74 74 ASN CA C 52.5 0.3 1 718 74 74 ASN CB C 38.8 0.3 1 719 74 74 ASN N N 112.5 0.3 1 720 74 74 ASN ND2 N 113.1 0.3 1 721 75 75 GLY H H 9.70 0.02 1 722 75 75 GLY HA2 H 4.60 0.02 2 723 75 75 GLY HA3 H 3.41 0.02 2 724 75 75 GLY C C 175.9 0.3 1 725 75 75 GLY CA C 45.0 0.3 1 726 75 75 GLY N N 110.7 0.3 1 727 76 76 THR H H 7.99 0.02 1 728 76 76 THR HA H 4.47 0.02 1 729 76 76 THR HB H 4.29 0.02 1 730 76 76 THR HG2 H 1.09 0.02 1 731 76 76 THR C C 176.1 0.3 1 732 76 76 THR CA C 62.6 0.3 1 733 76 76 THR CB C 70.9 0.3 1 734 76 76 THR CG2 C 20.9 0.3 1 735 76 76 THR N N 112.4 0.3 1 736 77 77 GLY H H 8.67 0.02 1 737 77 77 GLY HA2 H 4.54 0.02 2 738 77 77 GLY HA3 H 3.54 0.02 2 739 77 77 GLY C C 175.3 0.3 1 740 77 77 GLY CA C 45.3 0.3 1 741 77 77 GLY N N 113.5 0.3 1 742 78 78 GLY H H 8.02 0.02 1 743 78 78 GLY HA2 H 4.61 0.02 2 744 78 78 GLY HA3 H 3.23 0.02 2 745 78 78 GLY C C 172.1 0.3 1 746 78 78 GLY CA C 43.4 0.3 1 747 78 78 GLY N N 109.2 0.3 1 748 79 79 ARG H H 6.92 0.02 1 749 79 79 ARG HA H 4.58 0.02 1 750 79 79 ARG HB2 H 2.00 0.02 2 751 79 79 ARG HB3 H 1.71 0.02 2 752 79 79 ARG HG2 H 1.57 0.02 2 753 79 79 ARG HG3 H 1.52 0.02 2 754 79 79 ARG HD2 H 3.23 0.02 1 755 79 79 ARG C C 173.3 0.3 1 756 79 79 ARG CA C 55.7 0.3 1 757 79 79 ARG CB C 32.7 0.3 1 758 79 79 ARG CG C 26.5 0.3 1 759 79 79 ARG CD C 43.4 0.3 1 760 79 79 ARG N N 116.9 0.3 1 761 80 80 SER H H 8.30 0.02 1 762 80 80 SER HA H 5.02 0.02 1 763 80 80 SER HB3 H 4.28 0.02 1 764 80 80 SER C C 176.6 0.3 1 765 80 80 SER CA C 57.6 0.3 1 766 80 80 SER CB C 68.2 0.3 1 767 80 80 SER N N 116.2 0.3 1 768 81 81 ILE H H 8.80 0.02 1 769 81 81 ILE HA H 4.09 0.02 1 770 81 81 ILE HB H 1.75 0.02 1 771 81 81 ILE HG13 H 1.19 0.02 1 772 81 81 ILE HG2 H 0.78 0.02 1 773 81 81 ILE HD1 H 0.49 0.02 1 774 81 81 ILE C C 176.6 0.3 1 775 81 81 ILE CA C 63.1 0.3 1 776 81 81 ILE CB C 37.3 0.3 1 777 81 81 ILE CG1 C 27.6 0.3 1 778 81 81 ILE CG2 C 17.5 0.3 1 779 81 81 ILE CD1 C 14.0 0.3 1 780 81 81 ILE N N 114.7 0.3 1 781 82 82 TYR H H 7.64 0.02 1 782 82 82 TYR HA H 4.57 0.02 1 783 82 82 TYR HB2 H 3.40 0.02 2 784 82 82 TYR HB3 H 2.46 0.02 2 785 82 82 TYR HD1 H 6.53 0.02 1 786 82 82 TYR HE1 H 6.02 0.02 1 787 82 82 TYR C C 175.5 0.3 1 788 82 82 TYR CA C 56.8 0.3 1 789 82 82 TYR CB C 38.2 0.3 1 790 82 82 TYR CD2 C 132.7 0.3 1 791 82 82 TYR CE1 C 117.6 0.3 1 792 82 82 TYR N N 120.3 0.3 1 793 83 83 GLY H H 7.32 0.02 1 794 83 83 GLY HA2 H 3.66 0.02 1 795 83 83 GLY C C 173.8 0.3 1 796 83 83 GLY CA C 44.8 0.3 1 797 83 83 GLY N N 107.4 0.3 1 798 84 84 ASN H H 7.55 0.02 1 799 84 84 ASN HA H 4.55 0.02 1 800 84 84 ASN HB3 H 2.49 0.02 1 801 84 84 ASN C C 175.1 0.3 1 802 84 84 ASN CA C 54.6 0.3 1 803 84 84 ASN CB C 33.2 0.3 1 804 84 84 ASN N N 114.8 0.3 1 805 85 85 LYS H H 8.25 0.02 1 806 85 85 LYS HA H 5.45 0.02 1 807 85 85 LYS HB3 H 1.69 0.02 1 808 85 85 LYS HG2 H 1.31 0.02 1 809 85 85 LYS HD2 H 1.55 0.02 1 810 85 85 LYS HE2 H 2.98 0.02 1 811 85 85 LYS C C 176.0 0.3 1 812 85 85 LYS CA C 54.4 0.3 1 813 85 85 LYS CB C 35.1 0.3 1 814 85 85 LYS CG C 24.6 0.3 1 815 85 85 LYS CD C 28.9 0.3 1 816 85 85 LYS CE C 42.3 0.3 1 817 85 85 LYS N N 117.9 0.3 1 818 86 86 PHE H H 9.16 0.02 1 819 86 86 PHE HA H 5.12 0.02 1 820 86 86 PHE HB2 H 3.17 0.02 2 821 86 86 PHE HB3 H 2.97 0.02 2 822 86 86 PHE HD1 H 6.83 0.02 1 823 86 86 PHE HE1 H 7.43 0.02 1 824 86 86 PHE HZ H 7.59 0.02 1 825 86 86 PHE C C 174.6 0.3 1 826 86 86 PHE CA C 55.4 0.3 1 827 86 86 PHE CB C 42.0 0.3 1 828 86 86 PHE CD2 C 131.4 0.3 1 829 86 86 PHE CE1 C 128.9 0.3 1 830 86 86 PHE CZ C 131.2 0.3 1 831 86 86 PHE N N 118.0 0.3 1 832 87 87 LYS H H 8.11 0.02 1 833 87 87 LYS HA H 4.03 0.02 1 834 87 87 LYS HG2 H 1.43 0.02 1 835 87 87 LYS C C 177.8 0.3 1 836 87 87 LYS CA C 56.6 0.3 1 837 87 87 LYS CB C 33.3 0.3 1 838 87 87 LYS CG C 25.4 0.3 1 839 87 87 LYS CD C 28.9 0.3 1 840 87 87 LYS CE C 41.5 0.3 1 841 87 87 LYS N N 118.5 0.3 1 842 88 88 ASP H H 11.36 0.02 1 843 88 88 ASP HA H 4.29 0.02 1 844 88 88 ASP HB2 H 2.44 0.02 2 845 88 88 ASP HB3 H 1.91 0.02 2 846 88 88 ASP C C 176.6 0.3 1 847 88 88 ASP CA C 54.6 0.3 1 848 88 88 ASP CB C 41.1 0.3 1 849 88 88 ASP N N 123.1 0.3 1 850 89 89 GLU H H 9.51 0.02 1 851 89 89 GLU HA H 3.74 0.02 1 852 89 89 GLU HB2 H 2.20 0.02 2 853 89 89 GLU HB3 H 1.94 0.02 2 854 89 89 GLU HG2 H 2.41 0.02 1 855 89 89 GLU C C 176.9 0.3 1 856 89 89 GLU CA C 60.7 0.3 1 857 89 89 GLU CB C 31.8 0.3 1 858 89 89 GLU CG C 35.7 0.3 1 859 89 89 GLU N N 132.8 0.3 1 860 90 90 ASN H H 6.97 0.02 1 861 90 90 ASN HA H 4.18 0.02 1 862 90 90 ASN HB2 H 3.50 0.02 2 863 90 90 ASN HB3 H 2.75 0.02 2 864 90 90 ASN HD21 H 7.71 0.02 1 865 90 90 ASN HD22 H 7.17 0.02 1 866 90 90 ASN C C 170.8 0.3 1 867 90 90 ASN CA C 53.1 0.3 1 868 90 90 ASN CB C 39.9 0.3 1 869 90 90 ASN N N 106.2 0.3 1 870 90 90 ASN ND2 N 111.7 0.3 1 871 91 91 PHE H H 8.37 0.02 1 872 91 91 PHE HA H 3.43 0.02 1 873 91 91 PHE HB2 H 3.51 0.02 2 874 91 91 PHE HB3 H 2.57 0.02 2 875 91 91 PHE HD1 H 7.24 0.02 1 876 91 91 PHE HE1 H 6.87 0.02 1 877 91 91 PHE C C 177.5 0.3 1 878 91 91 PHE CA C 57.2 0.3 1 879 91 91 PHE CB C 38.5 0.3 1 880 91 91 PHE CD2 C 131.8 0.3 1 881 91 91 PHE CE1 C 130.9 0.3 1 882 91 91 PHE N N 113.8 0.3 1 883 92 92 GLN H H 8.62 0.02 1 884 92 92 GLN HA H 3.89 0.02 1 885 92 92 GLN HB2 H 1.82 0.02 2 886 92 92 GLN HB3 H 1.94 0.02 2 887 92 92 GLN HG2 H 2.30 0.02 1 888 92 92 GLN HE21 H 7.85 0.02 1 889 92 92 GLN HE22 H 6.71 0.02 1 890 92 92 GLN C C 177.4 0.3 1 891 92 92 GLN CA C 59.2 0.3 1 892 92 92 GLN CB C 29.2 0.3 1 893 92 92 GLN CG C 34.3 0.3 1 894 92 92 GLN N N 119.5 0.3 1 895 92 92 GLN NE2 N 116.9 0.3 1 896 93 93 LEU H H 7.46 0.02 1 897 93 93 LEU HA H 4.63 0.02 1 898 93 93 LEU HB2 H 1.82 0.02 2 899 93 93 LEU HB3 H 1.31 0.02 2 900 93 93 LEU HG H 0.64 0.02 1 901 93 93 LEU HD2 H 0.71 0.02 1 902 93 93 LEU C C 177.4 0.3 1 903 93 93 LEU CA C 58.5 0.3 1 904 93 93 LEU CB C 42.2 0.3 1 905 93 93 LEU CG C 27.1 0.3 1 906 93 93 LEU CD1 C 24.5 0.3 1 907 93 93 LEU CD2 C 22.3 0.3 1 908 93 93 LEU N N 115.1 0.3 1 909 94 94 LYS H H 8.41 0.02 1 910 94 94 LYS HA H 4.54 0.02 1 911 94 94 LYS HB3 H 2.20 0.02 1 912 94 94 LYS HG2 H 1.48 0.02 2 913 94 94 LYS HG3 H 1.37 0.02 2 914 94 94 LYS HD2 H 1.59 0.02 1 915 94 94 LYS HE2 H 3.03 0.02 1 916 94 94 LYS C C 176.2 0.3 1 917 94 94 LYS CA C 54.4 0.3 1 918 94 94 LYS CB C 34.2 0.3 1 919 94 94 LYS CG C 26.3 0.3 1 920 94 94 LYS CD C 28.8 0.3 1 921 94 94 LYS CE C 42.6 0.3 1 922 94 94 LYS N N 121.1 0.3 1 923 95 95 HIS H H 10.74 0.02 1 924 95 95 HIS HA H 4.46 0.02 1 925 95 95 HIS HB2 H 3.23 0.02 2 926 95 95 HIS HB3 H 2.83 0.02 2 927 95 95 HIS C C 177.0 0.3 1 928 95 95 HIS CA C 56.3 0.3 1 929 95 95 HIS CB C 25.7 0.3 1 930 95 95 HIS N N 123.0 0.3 1 931 96 96 THR H H 7.14 0.02 1 932 96 96 THR HA H 4.42 0.02 1 933 96 96 THR HB H 4.24 0.02 1 934 96 96 THR HG2 H 1.18 0.02 1 935 96 96 THR C C 174.1 0.3 1 936 96 96 THR CA C 62.7 0.3 1 937 96 96 THR CB C 69.9 0.3 1 938 96 96 THR CG2 C 22.6 0.3 1 939 96 96 THR N N 109.5 0.3 1 940 97 97 LYS H H 7.48 0.02 1 941 97 97 LYS HA H 4.91 0.02 1 942 97 97 LYS HB3 H 1.76 0.02 1 943 97 97 LYS C C 172.3 0.3 1 944 97 97 LYS CA C 53.9 0.3 1 945 97 97 LYS CB C 32.6 0.3 1 946 97 97 LYS N N 116.6 0.3 1 947 98 98 PRO HA H 4.01 0.02 1 948 98 98 PRO HB2 H 1.96 0.02 2 949 98 98 PRO HB3 H 2.01 0.02 2 950 98 98 PRO HG2 H 1.66 0.02 1 951 98 98 PRO HD2 H 3.62 0.02 1 952 98 98 PRO C C 175.3 0.3 1 953 98 98 PRO CA C 62.2 0.3 1 954 98 98 PRO CB C 32.3 0.3 1 955 98 98 PRO CG C 28.0 0.3 1 956 98 98 PRO CD C 50.4 0.3 1 957 99 99 GLY H H 8.30 0.02 1 958 99 99 GLY HA2 H 4.11 0.02 2 959 99 99 GLY HA3 H 3.54 0.02 2 960 99 99 GLY C C 173.5 0.3 1 961 99 99 GLY CA C 46.3 0.3 1 962 99 99 GLY N N 108.7 0.3 1 963 100 100 LEU H H 7.46 0.02 1 964 100 100 LEU HA H 4.37 0.02 1 965 100 100 LEU HB2 H 1.72 0.02 1 966 100 100 LEU C C 176.2 0.3 1 967 100 100 LEU CA C 55.4 0.3 1 968 100 100 LEU CB C 38.5 0.3 1 969 100 100 LEU N N 118.5 0.3 1 970 101 101 LEU C C 176.0 0.3 1 971 101 101 LEU CA C 55.2 0.3 1 972 101 101 LEU CB C 42.1 0.3 1 973 101 101 LEU CG C 31.6 0.3 1 974 102 102 SER H H 8.36 0.02 1 975 102 102 SER HA H 4.86 0.02 1 976 102 102 SER HB2 H 3.35 0.02 2 977 102 102 SER HB3 H 3.11 0.02 2 978 102 102 SER C C 175.2 0.3 1 979 102 102 SER CA C 55.0 0.3 1 980 102 102 SER CB C 64.9 0.3 1 981 102 102 SER N N 117.5 0.3 1 982 103 103 MET H H 8.83 0.02 1 983 103 103 MET HA H 5.54 0.02 1 984 103 103 MET HB3 H 2.64 0.02 1 985 103 103 MET HG2 H 2.30 0.02 1 986 103 103 MET HE H 0.91 0.02 1 987 103 103 MET C C 177.2 0.3 1 988 103 103 MET CA C 55.1 0.3 1 989 103 103 MET CB C 31.0 0.3 1 990 103 103 MET CG C 36.3 0.3 1 991 103 103 MET CE C 17.6 0.3 1 992 103 103 MET N N 124.3 0.3 1 993 104 104 ALA H H 7.80 0.02 1 994 104 104 ALA HA H 4.72 0.02 1 995 104 104 ALA HB H 1.78 0.02 1 996 104 104 ALA C C 175.6 0.3 1 997 104 104 ALA CA C 51.4 0.3 1 998 104 104 ALA CB C 19.2 0.3 1 999 104 104 ALA N N 125.6 0.3 1 1000 105 105 ASN H H 8.02 0.02 1 1001 105 105 ASN HA H 4.61 0.02 1 1002 105 105 ASN HB3 H 2.90 0.02 1 1003 105 105 ASN C C 173.9 0.3 1 1004 105 105 ASN CA C 53.9 0.3 1 1005 105 105 ASN CB C 40.5 0.3 1 1006 105 105 ASN N N 113.8 0.3 1 1007 106 106 ALA H H 8.83 0.02 1 1008 106 106 ALA HA H 4.83 0.02 1 1009 106 106 ALA HB H 1.34 0.02 1 1010 106 106 ALA C C 176.9 0.3 1 1011 106 106 ALA CA C 50.3 0.3 1 1012 106 106 ALA CB C 19.2 0.3 1 1013 106 106 ALA N N 123.6 0.3 1 1014 107 107 GLY H H 8.15 0.02 1 1015 107 107 GLY HA2 H 3.74 0.02 1 1016 107 107 GLY C C 172.0 0.3 1 1017 107 107 GLY CA C 43.5 0.3 1 1018 107 107 GLY N N 109.6 0.3 1 1019 108 108 PRO HA H 4.61 0.02 1 1020 108 108 PRO HB3 H 2.01 0.02 1 1021 108 108 PRO HG2 H 1.58 0.02 1 1022 108 108 PRO HD2 H 3.59 0.02 2 1023 108 108 PRO HD3 H 3.51 0.02 2 1024 108 108 PRO C C 175.9 0.3 1 1025 108 108 PRO CA C 64.0 0.3 1 1026 108 108 PRO CB C 31.8 0.3 1 1027 108 108 PRO CG C 26.9 0.3 1 1028 108 108 PRO CD C 49.1 0.3 1 1029 109 109 HIS H H 8.43 0.02 1 1030 109 109 HIS HA H 4.24 0.02 1 1031 109 109 HIS HB2 H 3.39 0.02 2 1032 109 109 HIS HB3 H 2.89 0.02 2 1033 109 109 HIS C C 176.0 0.3 1 1034 109 109 HIS CA C 56.0 0.3 1 1035 109 109 HIS CB C 28.3 0.3 1 1036 109 109 HIS N N 120.3 0.3 1 1037 110 110 THR H H 10.20 0.02 1 1038 110 110 THR HA H 4.78 0.02 1 1039 110 110 THR HB H 4.43 0.02 1 1040 110 110 THR HG2 H 0.95 0.02 1 1041 110 110 THR C C 173.8 0.3 1 1042 110 110 THR CA C 60.1 0.3 1 1043 110 110 THR CB C 69.0 0.3 1 1044 110 110 THR CG2 C 21.2 0.3 1 1045 110 110 THR N N 110.8 0.3 1 1046 111 111 ASN H H 7.35 0.02 1 1047 111 111 ASN HA H 4.21 0.02 1 1048 111 111 ASN HD21 H 7.52 0.02 1 1049 111 111 ASN HD22 H 5.97 0.02 1 1050 111 111 ASN C C 174.1 0.3 1 1051 111 111 ASN CA C 55.9 0.3 1 1052 111 111 ASN CB C 39.3 0.3 1 1053 111 111 ASN N N 120.6 0.3 1 1054 111 111 ASN ND2 N 113.2 0.3 1 1055 112 112 GLY H H 9.13 0.02 1 1056 112 112 GLY HA2 H 4.66 0.02 2 1057 112 112 GLY HA3 H 3.65 0.02 2 1058 112 112 GLY C C 171.2 0.3 1 1059 112 112 GLY CA C 45.4 0.3 1 1060 112 112 GLY N N 111.1 0.3 1 1061 113 113 SER H H 8.80 0.02 1 1062 113 113 SER HA H 4.73 0.02 1 1063 113 113 SER HB3 H 4.32 0.02 1 1064 113 113 SER C C 176.2 0.3 1 1065 113 113 SER CA C 57.6 0.3 1 1066 113 113 SER CB C 66.3 0.3 1 1067 113 113 SER N N 117.4 0.3 1 1068 114 114 GLN H H 8.24 0.02 1 1069 114 114 GLN HA H 4.47 0.02 1 1070 114 114 GLN HB3 H 2.32 0.02 1 1071 114 114 GLN HG2 H 1.92 0.02 1 1072 114 114 GLN C C 174.9 0.3 1 1073 114 114 GLN CA C 60.0 0.3 1 1074 114 114 GLN CB C 32.5 0.3 1 1075 114 114 GLN CG C 35.3 0.3 1 1076 114 114 GLN N N 124.0 0.3 1 1077 115 115 PHE H H 7.95 0.02 1 1078 115 115 PHE HA H 4.03 0.02 1 1079 115 115 PHE HB3 H 3.26 0.02 1 1080 115 115 PHE HD1 H 6.78 0.02 1 1081 115 115 PHE HE1 H 6.46 0.02 1 1082 115 115 PHE C C 171.6 0.3 1 1083 115 115 PHE CA C 55.5 0.3 1 1084 115 115 PHE CB C 43.0 0.3 1 1085 115 115 PHE CD2 C 128.8 0.3 1 1086 115 115 PHE CE1 C 129.6 0.3 1 1087 115 115 PHE N N 117.5 0.3 1 1088 116 116 PHE H H 9.91 0.02 1 1089 116 116 PHE HA H 4.03 0.02 1 1090 116 116 PHE HB3 H 2.92 0.02 1 1091 116 116 PHE HD1 H 6.83 0.02 1 1092 116 116 PHE HE1 H 6.69 0.02 1 1093 116 116 PHE C C 175.6 0.3 1 1094 116 116 PHE CA C 54.1 0.3 1 1095 116 116 PHE CB C 42.5 0.3 1 1096 116 116 PHE CD2 C 131.7 0.3 1 1097 116 116 PHE CE1 C 130.5 0.3 1 1098 116 116 PHE N N 117.1 0.3 1 1099 117 117 ILE H H 9.17 0.02 1 1100 117 117 ILE HA H 5.33 0.02 1 1101 117 117 ILE HB H 1.83 0.02 1 1102 117 117 ILE HG13 H 1.50 0.02 1 1103 117 117 ILE HG2 H 0.85 0.02 1 1104 117 117 ILE HD1 H 1.31 0.02 1 1105 117 117 ILE C C 178.0 0.3 1 1106 117 117 ILE CA C 59.8 0.3 1 1107 117 117 ILE CB C 40.5 0.3 1 1108 117 117 ILE CG1 C 27.9 0.3 1 1109 117 117 ILE CG2 C 17.0 0.3 1 1110 117 117 ILE CD1 C 15.1 0.3 1 1111 117 117 ILE N N 118.7 0.3 1 1112 118 118 THR H H 9.47 0.02 1 1113 118 118 THR HA H 4.69 0.02 1 1114 118 118 THR HB H 4.94 0.02 1 1115 118 118 THR HG2 H 1.53 0.02 1 1116 118 118 THR C C 177.2 0.3 1 1117 118 118 THR CA C 61.7 0.3 1 1118 118 118 THR CB C 70.7 0.3 1 1119 118 118 THR CG2 C 23.8 0.3 1 1120 118 118 THR N N 117.6 0.3 1 1121 119 119 THR H H 8.54 0.02 1 1122 119 119 THR HA H 4.60 0.02 1 1123 119 119 THR HB H 4.35 0.02 1 1124 119 119 THR HG2 H 0.79 0.02 1 1125 119 119 THR C C 174.2 0.3 1 1126 119 119 THR CA C 61.1 0.3 1 1127 119 119 THR CB C 67.9 0.3 1 1128 119 119 THR CG2 C 22.9 0.3 1 1129 119 119 THR N N 109.9 0.3 1 1130 120 120 VAL H H 7.66 0.02 1 1131 120 120 VAL HA H 4.64 0.02 1 1132 120 120 VAL HB H 2.42 0.02 1 1133 120 120 VAL HG2 H 0.91 0.02 1 1134 120 120 VAL C C 175.3 0.3 1 1135 120 120 VAL CA C 59.1 0.3 1 1136 120 120 VAL CB C 37.3 0.3 1 1137 120 120 VAL CG1 C 22.3 0.3 1 1138 120 120 VAL N N 114.3 0.3 1 1139 121 121 VAL H H 8.54 0.02 1 1140 121 121 VAL HA H 3.40 0.02 1 1141 121 121 VAL HB H 2.11 0.02 1 1142 121 121 VAL HG1 H 0.97 0.02 1 1143 121 121 VAL HG2 H 0.89 0.02 1 1144 121 121 VAL C C 175.8 0.3 1 1145 121 121 VAL CA C 64.9 0.3 1 1146 121 121 VAL CB C 31.3 0.3 1 1147 121 121 VAL CG1 C 21.9 0.3 1 1148 121 121 VAL N N 122.0 0.3 1 1149 122 122 THR H H 7.06 0.02 1 1150 122 122 THR HA H 4.78 0.02 1 1151 122 122 THR HB H 3.21 0.02 1 1152 122 122 THR HG2 H 0.94 0.02 1 1153 122 122 THR C C 177.1 0.3 1 1154 122 122 THR CA C 57.1 0.3 1 1155 122 122 THR CB C 67.2 0.3 1 1156 122 122 THR CG2 C 20.9 0.3 1 1157 122 122 THR N N 118.7 0.3 1 1158 123 123 SER H H 7.99 0.02 1 1159 123 123 SER HA H 4.20 0.02 1 1160 123 123 SER HB2 H 4.01 0.02 2 1161 123 123 SER HB3 H 3.95 0.02 2 1162 123 123 SER C C 177.5 0.3 1 1163 123 123 SER CA C 61.0 0.3 1 1164 123 123 SER CB C 62.8 0.3 1 1165 123 123 SER N N 119.8 0.3 1 1166 124 124 TRP H H 7.26 0.02 1 1167 124 124 TRP HA H 4.67 0.02 1 1168 124 124 TRP HB2 H 3.41 0.02 2 1169 124 124 TRP HB3 H 3.32 0.02 2 1170 124 124 TRP HD1 H 7.12 0.02 1 1171 124 124 TRP HE1 H 9.23 0.02 1 1172 124 124 TRP HE3 H 7.71 0.02 1 1173 124 124 TRP HZ2 H 6.51 0.02 1 1174 124 124 TRP HZ3 H 7.05 0.02 1 1175 124 124 TRP HH2 H 7.33 0.02 1 1176 124 124 TRP C C 176.4 0.3 1 1177 124 124 TRP CA C 59.6 0.3 1 1178 124 124 TRP CB C 26.9 0.3 1 1179 124 124 TRP CD1 C 131.3 0.3 1 1180 124 124 TRP CE3 C 119.1 0.3 1 1181 124 124 TRP CZ2 C 115.3 0.3 1 1182 124 124 TRP CZ3 C 125.1 0.3 1 1183 124 124 TRP CH2 C 123.8 0.3 1 1184 124 124 TRP N N 118.3 0.3 1 1185 124 124 TRP NE1 N 129.8 0.3 1 1186 125 125 LEU H H 7.01 0.02 1 1187 125 125 LEU HA H 4.36 0.02 1 1188 125 125 LEU HB2 H 1.398 0.02 1 1189 125 125 LEU HG H 1.02 0.02 1 1190 125 125 LEU HD2 H 0.38 0.02 1 1191 125 125 LEU C C 177.1 0.3 1 1192 125 125 LEU CA C 54.4 0.3 1 1193 125 125 LEU CB C 39.8 0.3 1 1194 125 125 LEU CG C 23.4 0.3 1 1195 125 125 LEU CD1 C 24.9 0.3 1 1196 125 125 LEU CD2 C 21.3 0.3 1 1197 125 125 LEU N N 120.0 0.3 1 1198 126 126 ASP H H 7.58 0.02 1 1199 126 126 ASP HA H 5.09 0.02 1 1200 126 126 ASP HB2 H 2.69 0.02 2 1201 126 126 ASP HB3 H 2.94 0.02 2 1202 126 126 ASP C C 178.3 0.3 1 1203 126 126 ASP CA C 55.8 0.3 1 1204 126 126 ASP CB C 39.7 0.3 1 1205 126 126 ASP N N 121.9 0.3 1 1206 127 127 GLY H H 9.34 0.02 1 1207 127 127 GLY HA2 H 3.88 0.02 2 1208 127 127 GLY HA3 H 2.91 0.02 2 1209 127 127 GLY C C 171.9 0.3 1 1210 127 127 GLY CA C 45.0 0.3 1 1211 127 127 GLY N N 110.7 0.3 1 1212 128 128 LYS H H 7.54 0.02 1 1213 128 128 LYS HA H 4.04 0.02 1 1214 128 128 LYS HB2 H 1.79 0.02 2 1215 128 128 LYS HB3 H 1.66 0.02 2 1216 128 128 LYS HG2 H 1.23 0.02 1 1217 128 128 LYS HD2 H 1.66 0.02 1 1218 128 128 LYS HE2 H 3.02 0.02 1 1219 128 128 LYS C C 175.1 0.3 1 1220 128 128 LYS CA C 56.1 0.3 1 1221 128 128 LYS CB C 35.4 0.3 1 1222 128 128 LYS CG C 25.1 0.3 1 1223 128 128 LYS CD C 29.3 0.3 1 1224 128 128 LYS CE C 42.3 0.3 1 1225 128 128 LYS N N 114.9 0.3 1 1226 129 129 HIS H H 7.45 0.02 1 1227 129 129 HIS HA H 4.86 0.02 1 1228 129 129 HIS HB2 H 4.06 0.02 2 1229 129 129 HIS HB3 H 3.05 0.02 2 1230 129 129 HIS C C 173.8 0.3 1 1231 129 129 HIS CA C 54.9 0.3 1 1232 129 129 HIS CB C 31.8 0.3 1 1233 129 129 HIS N N 119.8 0.3 1 1234 130 130 VAL H H 8.21 0.02 1 1235 130 130 VAL HA H 4.36 0.02 1 1236 130 130 VAL HB H 2.00 0.02 1 1237 130 130 VAL HG2 H 1.15 0.02 1 1238 130 130 VAL C C 175.3 0.3 1 1239 130 130 VAL CA C 63.6 0.3 1 1240 130 130 VAL CB C 33.8 0.3 1 1241 130 130 VAL CG1 C 23.6 0.3 1 1242 130 130 VAL CG2 C 21.5 0.3 1 1243 130 130 VAL N N 125.2 0.3 1 1244 131 131 VAL H H 9.53 0.02 1 1245 131 131 VAL HA H 4.36 0.02 1 1246 131 131 VAL HB H 1.84 0.02 1 1247 131 131 VAL HG2 H 1.12 0.02 1 1248 131 131 VAL C C 177.2 0.3 1 1249 131 131 VAL CA C 62.8 0.3 1 1250 131 131 VAL CB C 32.1 0.3 1 1251 131 131 VAL CG1 C 21.2 0.3 1 1252 131 131 VAL CG2 C 20.2 0.3 1 1253 131 131 VAL N N 133.2 0.3 1 1254 132 132 PHE H H 8.44 0.02 1 1255 132 132 PHE HA H 5.32 0.02 1 1256 132 132 PHE HB2 H 3.18 0.02 2 1257 132 132 PHE HB3 H 2.52 0.02 2 1258 132 132 PHE HD1 H 6.70 0.02 1 1259 132 132 PHE HE1 H 6.57 0.02 1 1260 132 132 PHE C C 172.9 0.3 1 1261 132 132 PHE CA C 56.2 0.3 1 1262 132 132 PHE CB C 42.9 0.3 1 1263 132 132 PHE CD2 C 132.0 0.3 1 1264 132 132 PHE CE1 C 131.6 0.3 1 1265 132 132 PHE N N 118.1 0.3 1 1266 133 133 GLY H H 7.12 0.02 1 1267 133 133 GLY HA2 H 3.37 0.02 2 1268 133 133 GLY HA3 H 2.56 0.02 2 1269 133 133 GLY C C 170.0 0.3 1 1270 133 133 GLY CA C 46.1 0.3 1 1271 133 133 GLY N N 111.7 0.3 1 1272 134 134 GLU H H 8.95 0.02 1 1273 134 134 GLU HA H 5.32 0.02 1 1274 134 134 GLU HB3 H 1.97 0.02 1 1275 134 134 GLU HG2 H 2.08 0.02 2 1276 134 134 GLU HG3 H 1.93 0.02 2 1277 134 134 GLU C C 174.5 0.3 1 1278 134 134 GLU CA C 53.9 0.3 1 1279 134 134 GLU CB C 34.0 0.3 1 1280 134 134 GLU CG C 35.6 0.3 1 1281 134 134 GLU N N 112.8 0.3 1 1282 135 135 VAL H H 8.96 0.02 1 1283 135 135 VAL HA H 3.94 0.02 1 1284 135 135 VAL HB H 2.06 0.02 1 1285 135 135 VAL HG1 H 0.90 0.02 1 1286 135 135 VAL HG2 H 0.62 0.02 1 1287 135 135 VAL C C 177.0 0.3 1 1288 135 135 VAL CA C 63.5 0.3 1 1289 135 135 VAL CB C 32.6 0.3 1 1290 135 135 VAL CG1 C 21.7 0.3 1 1291 135 135 VAL N N 122.3 0.3 1 1292 136 136 VAL H H 9.23 0.02 1 1293 136 136 VAL HA H 4.65 0.02 1 1294 136 136 VAL HB H 2.26 0.02 1 1295 136 136 VAL HG1 H 1.02 0.02 1 1296 136 136 VAL HG2 H 0.80 0.02 1 1297 136 136 VAL C C 175.7 0.3 1 1298 136 136 VAL CA C 61.6 0.3 1 1299 136 136 VAL CB C 33.4 0.3 1 1300 136 136 VAL CG1 C 21.4 0.3 1 1301 136 136 VAL CG2 C 19.2 0.3 1 1302 136 136 VAL N N 122.4 0.3 1 1303 137 137 GLU H H 7.73 0.02 1 1304 137 137 GLU HA H 4.66 0.02 1 1305 137 137 GLU HB2 H 1.72 0.02 2 1306 137 137 GLU HB3 H 2.01 0.02 2 1307 137 137 GLU HG2 H 2.30 0.02 2 1308 137 137 GLU HG3 H 2.16 0.02 2 1309 137 137 GLU C C 175.5 0.3 1 1310 137 137 GLU CA C 55.9 0.3 1 1311 137 137 GLU CB C 33.5 0.3 1 1312 137 137 GLU CG C 36.3 0.3 1 1313 137 137 GLU N N 120.8 0.3 1 1314 138 138 GLY H H 8.81 0.02 1 1315 138 138 GLY HA2 H 4.85 0.02 2 1316 138 138 GLY HA3 H 4.08 0.02 2 1317 138 138 GLY C C 177.3 0.3 1 1318 138 138 GLY CA C 46.3 0.3 1 1319 138 138 GLY N N 109.0 0.3 1 1320 139 139 MET H H 9.00 0.02 1 1321 139 139 MET HA H 4.40 0.02 1 1322 139 139 MET HB2 H 2.11 0.02 2 1323 139 139 MET HB3 H 2.03 0.02 2 1324 139 139 MET HG2 H 2.69 0.02 1 1325 139 139 MET HE H 0.63 0.02 1 1326 139 139 MET C C 178.1 0.3 1 1327 139 139 MET CA C 56.9 0.3 1 1328 139 139 MET CB C 29.9 0.3 1 1329 139 139 MET CG C 33.2 0.3 1 1330 139 139 MET CE C 21.6 0.3 1 1331 139 139 MET N N 122.6 0.3 1 1332 140 140 ASP H H 9.15 0.02 1 1333 140 140 ASP HA H 4.25 0.02 1 1334 140 140 ASP HB2 H 2.74 0.02 2 1335 140 140 ASP HB3 H 2.58 0.02 2 1336 140 140 ASP C C 178.6 0.3 1 1337 140 140 ASP CA C 56.5 0.3 1 1338 140 140 ASP CB C 38.7 0.3 1 1339 140 140 ASP N N 116.4 0.3 1 1340 141 141 VAL H H 7.41 0.02 1 1341 141 141 VAL HA H 3.42 0.02 1 1342 141 141 VAL HB H 2.37 0.02 1 1343 141 141 VAL HG2 H 0.80 0.02 1 1344 141 141 VAL C C 178.2 0.3 1 1345 141 141 VAL CA C 66.1 0.3 1 1346 141 141 VAL CB C 31.0 0.3 1 1347 141 141 VAL CG1 C 21.5 0.3 1 1348 141 141 VAL CG2 C 18.3 0.3 1 1349 141 141 VAL N N 124.5 0.3 1 1350 142 142 VAL H H 7.73 0.02 1 1351 142 142 VAL HA H 4.37 0.02 1 1352 142 142 VAL HB H 1.09 0.02 1 1353 142 142 VAL HG2 H 0.80 0.02 1 1354 142 142 VAL C C 177.9 0.3 1 1355 142 142 VAL CA C 67.9 0.3 1 1356 142 142 VAL CB C 30.4 0.3 1 1357 142 142 VAL CG1 C 21.5 0.3 1 1358 142 142 VAL CG2 C 19.2 0.3 1 1359 142 142 VAL N N 120.5 0.3 1 1360 143 143 LYS H H 8.01 0.02 1 1361 143 143 LYS HA H 4.18 0.02 1 1362 143 143 LYS HB3 H 1.93 0.02 1 1363 143 143 LYS HG2 H 1.73 0.02 2 1364 143 143 LYS HG3 H 1.62 0.02 2 1365 143 143 LYS HD2 H 1.75 0.02 2 1366 143 143 LYS HD3 H 1.65 0.02 2 1367 143 143 LYS HE2 H 2.90 0.02 1 1368 143 143 LYS C C 174.3 0.3 1 1369 143 143 LYS CA C 58.3 0.3 1 1370 143 143 LYS CB C 30.5 0.3 1 1371 143 143 LYS CG C 24.4 0.3 1 1372 143 143 LYS CD C 27.1 0.3 1 1373 143 143 LYS CE C 41.5 0.3 1 1374 143 143 LYS N N 116.7 0.3 1 1375 144 144 LYS H H 7.64 0.02 1 1376 144 144 LYS HA H 4.04 0.02 1 1377 144 144 LYS HB2 H 2.05 0.02 2 1378 144 144 LYS HB3 H 1.76 0.02 2 1379 144 144 LYS HG2 H 1.78 0.02 2 1380 144 144 LYS HG3 H 1.43 0.02 2 1381 144 144 LYS HD2 H 1.61 0.02 1 1382 144 144 LYS HE2 H 2.92 0.02 1 1383 144 144 LYS C C 178.8 0.3 1 1384 144 144 LYS CA C 59.7 0.3 1 1385 144 144 LYS CB C 32.7 0.3 1 1386 144 144 LYS CG C 25.4 0.3 1 1387 144 144 LYS CD C 30.1 0.3 1 1388 144 144 LYS CE C 42.0 0.3 1 1389 144 144 LYS N N 121.8 0.3 1 1390 145 145 VAL H H 8.01 0.02 1 1391 145 145 VAL HA H 4.60 0.02 1 1392 145 145 VAL HB H 2.17 0.02 1 1393 145 145 VAL HG2 H 0.81 0.02 1 1394 145 145 VAL C C 177.6 0.3 1 1395 145 145 VAL CA C 66.5 0.3 1 1396 145 145 VAL CB C 31.2 0.3 1 1397 145 145 VAL CG1 C 24.7 0.3 1 1398 145 145 VAL CG2 C 23.4 0.3 1 1399 145 145 VAL N N 119.3 0.3 1 1400 146 146 GLU H H 8.69 0.02 1 1401 146 146 GLU HA H 3.41 0.02 1 1402 146 146 GLU HB3 H 2.06 0.02 1 1403 146 146 GLU HG2 H 2.28 0.02 1 1404 146 146 GLU C C 174.3 0.3 1 1405 146 146 GLU CA C 59.0 0.3 1 1406 146 146 GLU CB C 30.3 0.3 1 1407 146 146 GLU CG C 36.7 0.3 1 1408 146 146 GLU N N 120.4 0.3 1 1409 147 147 ALA H H 7.21 0.02 1 1410 147 147 ALA HA H 4.21 0.02 1 1411 147 147 ALA HB H 1.54 0.02 1 1412 147 147 ALA C C 179.1 0.3 1 1413 147 147 ALA CA C 53.6 0.3 1 1414 147 147 ALA CB C 18.4 0.3 1 1415 147 147 ALA N N 115.5 0.3 1 1416 148 148 VAL H H 7.73 0.02 1 1417 148 148 VAL HA H 4.68 0.02 1 1418 148 148 VAL HB H 2.59 0.02 1 1419 148 148 VAL HG1 H 1.06 0.02 1 1420 148 148 VAL HG2 H 0.94 0.02 1 1421 148 148 VAL C C 176.5 0.3 1 1422 148 148 VAL CA C 60.5 0.3 1 1423 148 148 VAL CB C 30.7 0.3 1 1424 148 148 VAL CG1 C 21.5 0.3 1 1425 148 148 VAL CG2 C 18.7 0.3 1 1426 148 148 VAL N N 111.3 0.3 1 1427 149 149 GLY H H 7.94 0.02 1 1428 149 149 GLY HA2 H 4.23 0.02 2 1429 149 149 GLY HA3 H 3.51 0.02 2 1430 149 149 GLY C C 172.3 0.3 1 1431 149 149 GLY CA C 45.1 0.3 1 1432 149 149 GLY N N 107.8 0.3 1 1433 150 150 THR H H 7.52 0.02 1 1434 150 150 THR HA H 5.02 0.02 1 1435 150 150 THR HB H 4.55 0.02 1 1436 150 150 THR HG2 H 1.35 0.02 1 1437 150 150 THR C C 175.7 0.3 1 1438 150 150 THR CA C 60.2 0.3 1 1439 150 150 THR CB C 73.7 0.3 1 1440 150 150 THR CG2 C 21.7 0.3 1 1441 150 150 THR N N 106.4 0.3 1 1442 151 151 GLN H H 9.07 0.02 1 1443 151 151 GLN HA H 4.13 0.02 1 1444 151 151 GLN HB3 H 1.31 0.02 1 1445 151 151 GLN HG2 H 2.49 0.02 1 1446 151 151 GLN C C 177.2 0.3 1 1447 151 151 GLN CA C 59.4 0.3 1 1448 151 151 GLN CB C 28.2 0.3 1 1449 151 151 GLN CG C 33.8 0.3 1 1450 151 151 GLN N N 121.0 0.3 1 1451 152 152 SER H H 8.16 0.02 1 1452 152 152 SER HA H 4.38 0.02 1 1453 152 152 SER HB3 H 4.14 0.02 1 1454 152 152 SER C C 172.2 0.3 1 1455 152 152 SER CA C 59.3 0.3 1 1456 152 152 SER CB C 64.2 0.3 1 1457 152 152 SER N N 110.2 0.3 1 1458 153 153 GLY H H 8.12 0.02 1 1459 153 153 GLY HA2 H 4.16 0.02 2 1460 153 153 GLY HA3 H 4.02 0.02 2 1461 153 153 GLY C C 173.2 0.3 1 1462 153 153 GLY CA C 44.6 0.3 1 1463 153 153 GLY N N 112.9 0.3 1 1464 154 154 LYS H H 7.47 0.02 1 1465 154 154 LYS C C 175.4 0.3 1 1466 154 154 LYS CA C 54.3 0.3 1 1467 154 154 LYS CB C 32.4 0.3 1 1468 154 154 LYS N N 122.7 0.3 1 1469 155 155 PRO HA H 4.81 0.02 1 1470 155 155 PRO HB3 H 2.35 0.02 1 1471 155 155 PRO HG2 H 1.74 0.02 1 1472 155 155 PRO HD2 H 3.66 0.02 1 1473 155 155 PRO C C 177.7 0.3 1 1474 155 155 PRO CA C 62.8 0.3 1 1475 155 155 PRO CB C 33.4 0.3 1 1476 155 155 PRO CG C 28.2 0.3 1 1477 155 155 PRO CD C 51.8 0.3 1 1478 156 156 SER H H 9.56 0.02 1 1479 156 156 SER HA H 4.41 0.02 1 1480 156 156 SER HB2 H 4.07 0.02 2 1481 156 156 SER HB3 H 3.85 0.02 2 1482 156 156 SER C C 173.9 0.3 1 1483 156 156 SER CA C 59.5 0.3 1 1484 156 156 SER CB C 63.8 0.3 1 1485 156 156 SER N N 118.3 0.3 1 1486 157 157 LYS H H 7.33 0.02 1 1487 157 157 LYS HA H 4.61 0.02 1 1488 157 157 LYS HB2 H 1.70 0.02 2 1489 157 157 LYS HB3 H 1.31 0.02 2 1490 157 157 LYS HG2 H 1.23 0.02 1 1491 157 157 LYS HD2 H 1.38 0.02 1 1492 157 157 LYS HE2 H 2.92 0.02 1 1493 157 157 LYS C C 173.9 0.3 1 1494 157 157 LYS CA C 53.6 0.3 1 1495 157 157 LYS CB C 38.5 0.3 1 1496 157 157 LYS CG C 25.1 0.3 1 1497 157 157 LYS CD C 28.9 0.3 1 1498 157 157 LYS CE C 42.1 0.3 1 1499 157 157 LYS N N 118.4 0.3 1 1500 158 158 VAL H H 8.56 0.02 1 1501 158 158 VAL HA H 3.96 0.02 1 1502 158 158 VAL HB H 2.06 0.02 1 1503 158 158 VAL HG2 H 0.91 0.02 1 1504 158 158 VAL C C 176.8 0.3 1 1505 158 158 VAL CA C 63.4 0.3 1 1506 158 158 VAL CB C 31.8 0.3 1 1507 158 158 VAL CG1 C 22.2 0.3 1 1508 158 158 VAL CG2 C 21.1 0.3 1 1509 158 158 VAL N N 118.6 0.3 1 1510 159 159 VAL H H 9.65 0.02 1 1511 159 159 VAL HA H 5.09 0.02 1 1512 159 159 VAL HB H 2.32 0.02 1 1513 159 159 VAL HG2 H 0.98 0.02 1 1514 159 159 VAL C C 174.5 0.3 1 1515 159 159 VAL CA C 61.4 0.3 1 1516 159 159 VAL CB C 32.7 0.3 1 1517 159 159 VAL CG1 C 23.3 0.3 1 1518 159 159 VAL CG2 C 21.2 0.3 1 1519 159 159 VAL N N 134.0 0.3 1 1520 160 160 LYS H H 8.97 0.02 1 1521 160 160 LYS HA H 5.03 0.02 1 1522 160 160 LYS HB2 H 1.76 0.02 2 1523 160 160 LYS HB3 H 1.50 0.02 2 1524 160 160 LYS HG2 H 1.25 0.02 2 1525 160 160 LYS HG3 H 1.09 0.02 2 1526 160 160 LYS HD2 H 1.55 0.02 1 1527 160 160 LYS HE2 H 2.82 0.02 1 1528 160 160 LYS C C 174.6 0.3 1 1529 160 160 LYS CA C 54.5 0.3 1 1530 160 160 LYS CB C 37.2 0.3 1 1531 160 160 LYS CG C 25.1 0.3 1 1532 160 160 LYS CD C 29.6 0.3 1 1533 160 160 LYS CE C 41.9 0.3 1 1534 160 160 LYS N N 127.4 0.3 1 1535 161 161 ILE H H 8.69 0.02 1 1536 161 161 ILE HA H 4.77 0.02 1 1537 161 161 ILE HB H 1.79 0.02 1 1538 161 161 ILE HG13 H 1.36 0.02 1 1539 161 161 ILE HG2 H 0.47 0.02 1 1540 161 161 ILE HD1 H -0.16 0.02 1 1541 161 161 ILE C C 176.5 0.3 1 1542 161 161 ILE CA C 60.6 0.3 1 1543 161 161 ILE CB C 37.4 0.3 1 1544 161 161 ILE CG1 C 27.9 0.3 1 1545 161 161 ILE CG2 C 18.1 0.3 1 1546 161 161 ILE CD1 C 13.6 0.3 1 1547 161 161 ILE N N 124.6 0.3 1 1548 162 162 THR H H 9.02 0.02 1 1549 162 162 THR HA H 4.16 0.02 1 1550 162 162 THR HB H 4.21 0.02 1 1551 162 162 THR HG2 H 1.22 0.02 1 1552 162 162 THR C C 175.3 0.3 1 1553 162 162 THR CA C 63.6 0.3 1 1554 162 162 THR CB C 68.6 0.3 1 1555 162 162 THR CG2 C 23.0 0.3 1 1556 162 162 THR N N 122.0 0.3 1 1557 163 163 ALA H H 7.77 0.02 1 1558 163 163 ALA HA H 4.65 0.02 1 1559 163 163 ALA HB H 1.77 0.02 1 1560 163 163 ALA C C 173.9 0.3 1 1561 163 163 ALA CA C 52.3 0.3 1 1562 163 163 ALA CB C 22.4 0.3 1 1563 163 163 ALA N N 121.2 0.3 1 1564 164 164 SER H H 8.01 0.02 1 1565 164 164 SER HA H 4.95 0.02 1 1566 164 164 SER HB2 H 4.11 0.02 2 1567 164 164 SER HB3 H 3.76 0.02 2 1568 164 164 SER C C 172.5 0.3 1 1569 164 164 SER CA C 56.8 0.3 1 1570 164 164 SER CB C 67.5 0.3 1 1571 164 164 SER N N 113.8 0.3 1 1572 165 165 GLY H H 7.07 0.02 1 1573 165 165 GLY HA2 H 4.18 0.02 2 1574 165 165 GLY HA3 H 3.49 0.02 2 1575 165 165 GLY C C 171.8 0.3 1 1576 165 165 GLY CA C 45.3 0.3 1 1577 165 165 GLY N N 104.5 0.3 1 1578 166 166 THR H H 8.61 0.02 1 1579 166 166 THR HA H 5.56 0.02 1 1580 166 166 THR HB H 4.45 0.02 1 1581 166 166 THR HG2 H 1.14 0.02 1 1582 166 166 THR C C 174.4 0.3 1 1583 166 166 THR CA C 59.2 0.3 1 1584 166 166 THR CB C 70.4 0.3 1 1585 166 166 THR CG2 C 22.1 0.3 1 1586 166 166 THR N N 110.6 0.3 1 1587 167 167 VAL H H 8.04 0.02 1 1588 167 167 VAL C C 181.0 0.3 1 1589 167 167 VAL CA C 63.7 0.3 1 1590 167 167 VAL CB C 32.8 0.3 1 1591 167 167 VAL N N 122.8 0.3 1 stop_ save_