data_6964 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; NMR Structure of the Rpa2829 protein from Rhodopseudomonas palustris: Northeast Structural Genomics Consortium Target RpR43 ; _BMRB_accession_number 6964 _BMRB_flat_file_name bmr6964.str _Entry_type original _Submission_date 2005-01-31 _Accession_date 2005-02-01 _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 Cort John R. . 2 Kennedy Michael A. . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 647 "13C chemical shifts" 540 "15N chemical shifts" 133 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2006-03-29 original author . stop_ _Original_release_date 2006-03-29 save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title 'NMR structure of the Rpa2829 protein from Rhodopseudomonas palustris' _Citation_status published _Citation_type 'BMRB only' _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID ? loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Cort John R. . 2 Kennedy Michael A. . stop_ _Journal_abbreviation . _Journal_volume . _Journal_issue . _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first . _Page_last . _Year . _Details . save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name Rpa2829 _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label Rpa2829 $Rpa2829 stop_ _System_molecular_weight 16000 _System_physical_state native _System_oligomer_state ? _System_paramagnetic no _System_thiol_state 'not present' _Database_query_date . _Details . save_ ######################## # Monomeric polymers # ######################## save_Rpa2829 _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common Rpa2829 _Molecular_mass . _Mol_thiol_state 'not present' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 135 _Mol_residue_sequence ; MAQRSEIPHFPRTAAIDAYG KGGFYFAGMSHQGSLLFLPD AVWGWDVTKPEQIDRYSLQR VFDNANAIDTLIVGTGADVW IAPRQLREALRGVNVVLDTM QTGPAIRTYNIMIGERRRVA AALIAVPLEHHHHHH ; loop_ _Residue_seq_code _Residue_label 1 MET 2 ALA 3 GLN 4 ARG 5 SER 6 GLU 7 ILE 8 PRO 9 HIS 10 PHE 11 PRO 12 ARG 13 THR 14 ALA 15 ALA 16 ILE 17 ASP 18 ALA 19 TYR 20 GLY 21 LYS 22 GLY 23 GLY 24 PHE 25 TYR 26 PHE 27 ALA 28 GLY 29 MET 30 SER 31 HIS 32 GLN 33 GLY 34 SER 35 LEU 36 LEU 37 PHE 38 LEU 39 PRO 40 ASP 41 ALA 42 VAL 43 TRP 44 GLY 45 TRP 46 ASP 47 VAL 48 THR 49 LYS 50 PRO 51 GLU 52 GLN 53 ILE 54 ASP 55 ARG 56 TYR 57 SER 58 LEU 59 GLN 60 ARG 61 VAL 62 PHE 63 ASP 64 ASN 65 ALA 66 ASN 67 ALA 68 ILE 69 ASP 70 THR 71 LEU 72 ILE 73 VAL 74 GLY 75 THR 76 GLY 77 ALA 78 ASP 79 VAL 80 TRP 81 ILE 82 ALA 83 PRO 84 ARG 85 GLN 86 LEU 87 ARG 88 GLU 89 ALA 90 LEU 91 ARG 92 GLY 93 VAL 94 ASN 95 VAL 96 VAL 97 LEU 98 ASP 99 THR 100 MET 101 GLN 102 THR 103 GLY 104 PRO 105 ALA 106 ILE 107 ARG 108 THR 109 TYR 110 ASN 111 ILE 112 MET 113 ILE 114 GLY 115 GLU 116 ARG 117 ARG 118 ARG 119 VAL 120 ALA 121 ALA 122 ALA 123 LEU 124 ILE 125 ALA 126 VAL 127 PRO 128 LEU 129 GLU 130 HIS 131 HIS 132 HIS 133 HIS 134 HIS 135 HIS stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2014-03-02 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 2FVT "Nmr Structure Of The Rpa2829 Protein From Rhodopseudomonas Palustris: Northeast Structural Genomics Target Rpr43" 100.00 135 100.00 100.00 6.93e-94 EMBL CAE28271 "conserved hypothetical protein [Rhodopseudomonas palustris CGA009]" 94.07 127 99.21 99.21 8.55e-86 GB ACF01674 "protein of unknown function DUF498 [Rhodopseudomonas palustris TIE-1]" 94.07 127 99.21 99.21 8.55e-86 REF NP_948172 "hypothetical protein RPA2829 [Rhodopseudomonas palustris CGA009]" 94.07 127 99.21 99.21 8.55e-86 REF WP_011158380 "membrane protein [Rhodopseudomonas palustris]" 94.07 127 99.21 99.21 8.55e-86 REF YP_001992149 "hypothetical protein Rpal_3170 [Rhodopseudomonas palustris TIE-1]" 94.07 127 99.21 99.21 8.55e-86 stop_ save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species $Rpa2829 'Rhodopseudomonas palustris' 1076 Bacteria . Rhodopseudomonas palustris 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 $Rpa2829 'recombinant technology' 'E. coli' Escherichia coli BL21(DE3)+Magic . 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 $Rpa2829 1.2 mM '[U-13C; U-15N]' 'ammonium acetate' 20 mM . NaCl 100 mM . CaCl2 5 mM . stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Varian _Model INOVA _Field_strength 600 _Details . save_ save_spectrometer_2 _Saveframe_category NMR_spectrometer _Manufacturer Varian _Model 'Unity Plus' _Field_strength 500 _Details . save_ save_spectrometer_3 _Saveframe_category NMR_spectrometer _Manufacturer Varian _Model INOVA _Field_strength 800 _Details . save_ save_spectrometer_4 _Saveframe_category NMR_spectrometer _Manufacturer Varian _Model INOVA _Field_strength 750 _Details . save_ ############################# # NMR applied experiments # ############################# save_1H15N_HSQC_1 _Saveframe_category NMR_applied_experiment _Experiment_name 1H15N_HSQC _Sample_label $sample_1 save_ save_1H13C_HSQC_2 _Saveframe_category NMR_applied_experiment _Experiment_name 1H13C_HSQC _Sample_label $sample_1 save_ save_HNCACB_3 _Saveframe_category NMR_applied_experiment _Experiment_name HNCACB _Sample_label $sample_1 save_ save_CBCACONH_4 _Saveframe_category NMR_applied_experiment _Experiment_name CBCACONH _Sample_label $sample_1 save_ save_HNCO_5 _Saveframe_category NMR_applied_experiment _Experiment_name HNCO _Sample_label $sample_1 save_ save_HNCA_6 _Saveframe_category NMR_applied_experiment _Experiment_name HNCA _Sample_label $sample_1 save_ save_HNCOCA_7 _Saveframe_category NMR_applied_experiment _Experiment_name HNCOCA _Sample_label $sample_1 save_ save_HCCH_TOCSY_8 _Saveframe_category NMR_applied_experiment _Experiment_name HCCH_TOCSY _Sample_label $sample_1 save_ save_HCCH_COSY_9 _Saveframe_category NMR_applied_experiment _Experiment_name HCCH_COSY _Sample_label $sample_1 save_ save_CBCACOCAHA_10 _Saveframe_category NMR_applied_experiment _Experiment_name CBCACOCAHA _Sample_label $sample_1 save_ save_HCC_TOCSY_NH_11 _Saveframe_category NMR_applied_experiment _Experiment_name HCC_TOCSY_NH _Sample_label $sample_1 save_ save_CC_TOCSY_NH_12 _Saveframe_category NMR_applied_experiment _Experiment_name CC_TOCSY_NH _Sample_label $sample_1 save_ save_HNHA_13 _Saveframe_category NMR_applied_experiment _Experiment_name HNHA _Sample_label $sample_1 save_ ####################### # Sample conditions # ####################### save_conditions_1 _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units pH 5.0 .1 pH temperature 293 1 K stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_referencing _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 _Indirect_shift_ratio_citation_label _Correction_value_citation_label DSS C 13 'methyl protons' ppm 0.0 . indirect . . . 0.251449530 $entry_citation $entry_citation DSS H 1 'methyl protons' ppm 0.0 external indirect . . . 1.0 $entry_citation $entry_citation DSS N 15 'methyl protons' ppm 0.0 . indirect . . . 0.101329118 $entry_citation $entry_citation 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_chem_shift_list_1 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Sample_label $sample_1 stop_ _Sample_conditions_label $conditions_1 _Chem_shift_reference_set_label $chemical_shift_referencing _Mol_system_component_name Rpa2829 _Text_data_format . _Text_data . loop_ _Atom_shift_assign_ID _Residue_author_seq_code _Residue_seq_code _Residue_label _Atom_name _Atom_type _Chem_shift_value _Chem_shift_value_error _Chem_shift_ambiguity_code 1 1 1 MET C C 172.0 0.2 1 2 1 1 MET CA C 61.1 0.2 1 3 1 1 MET CB C 32.8 0.2 1 4 2 2 ALA H H 8.67 0.02 1 5 2 2 ALA HA H 4.34 0.02 1 6 2 2 ALA HB H 1.35 0.02 1 7 2 2 ALA C C 177.3 0.2 1 8 2 2 ALA CA C 52.4 0.2 1 9 2 2 ALA CB C 19.2 0.2 1 10 2 2 ALA N N 128.3 0.2 1 11 3 3 GLN H H 8.52 0.02 1 12 3 3 GLN HA H 4.29 0.02 1 13 3 3 GLN HB2 H 1.94 0.02 2 14 3 3 GLN HB3 H 2.05 0.02 2 15 3 3 GLN HG2 H 2.33 0.02 2 16 3 3 GLN HG3 H 2.35 0.02 2 17 3 3 GLN HE21 H 6.87 0.02 2 18 3 3 GLN HE22 H 7.53 0.02 2 19 3 3 GLN CA C 55.8 0.2 1 20 3 3 GLN CB C 29.7 0.2 1 21 3 3 GLN CG C 33.5 0.2 1 22 3 3 GLN N N 121.0 0.2 1 23 3 3 GLN NE2 N 112.8 0.2 1 24 4 4 ARG C C 176.2 0.2 1 25 4 4 ARG CA C 56.3 0.2 1 26 4 4 ARG CB C 31.0 0.2 1 27 4 4 ARG CG C 27.0 0.2 1 28 4 4 ARG CD C 43.4 0.2 1 29 5 5 SER H H 8.43 0.02 1 30 5 5 SER HB2 H 3.80 0.02 2 31 5 5 SER HB3 H 3.83 0.02 2 32 5 5 SER C C 174.2 0.2 1 33 5 5 SER CA C 58.4 0.2 1 34 5 5 SER CB C 63.9 0.2 1 35 5 5 SER N N 117.6 0.2 1 36 6 6 GLU H H 8.47 0.02 1 37 6 6 GLU CA C 56.3 0.2 1 38 6 6 GLU CB C 30.4 0.2 1 39 6 6 GLU N N 123.1 0.2 1 40 7 7 ILE HA H 4.47 0.02 1 41 7 7 ILE HB H 2.01 0.02 1 42 7 7 ILE HG12 H 1.30 0.02 2 43 7 7 ILE HG13 H 1.61 0.02 2 44 7 7 ILE HG2 H 1.22 0.02 1 45 7 7 ILE HD1 H 0.90 0.02 1 46 7 7 ILE CA C 58.8 0.2 1 47 7 7 ILE CB C 39.0 0.2 1 48 7 7 ILE CG1 C 27.5 0.2 1 49 7 7 ILE CG2 C 17.3 0.2 1 50 7 7 ILE CD1 C 12.8 0.2 1 51 8 8 PRO HD2 H 3.73 0.02 2 52 8 8 PRO HD3 H 3.98 0.02 2 53 8 8 PRO C C 174.9 0.2 1 54 8 8 PRO CA C 63.3 0.2 1 55 8 8 PRO CB C 32.3 0.2 1 56 8 8 PRO CG C 27.6 0.2 1 57 8 8 PRO CD C 51.4 0.2 1 58 9 9 HIS H H 7.42 0.02 1 59 9 9 HIS HD2 H 6.24 0.02 1 60 9 9 HIS C C 172.3 0.2 1 61 9 9 HIS CA C 53.5 0.2 1 62 9 9 HIS CB C 29.3 0.2 1 63 9 9 HIS CD2 C 118.9 0.2 1 64 9 9 HIS N N 116.3 0.2 1 65 10 10 PHE H H 8.99 0.02 1 66 10 10 PHE HA H 4.55 0.02 1 67 10 10 PHE HB2 H 2.43 0.02 2 68 10 10 PHE HB3 H 3.46 0.02 2 69 10 10 PHE HD1 H 7.03 0.02 3 70 10 10 PHE HE1 H 7.17 0.02 3 71 10 10 PHE CA C 54.7 0.2 1 72 10 10 PHE CB C 39.7 0.2 1 73 10 10 PHE CD1 C 132.4 0.2 3 74 10 10 PHE CE1 C 131.1 0.2 3 75 10 10 PHE N N 122.0 0.2 1 76 11 11 PRO HA H 4.46 0.02 1 77 11 11 PRO HD2 H 3.73 0.02 2 78 11 11 PRO HD3 H 3.89 0.02 2 79 11 11 PRO C C 175.0 0.2 1 80 11 11 PRO CA C 62.6 0.2 1 81 11 11 PRO CB C 32.0 0.2 1 82 11 11 PRO CG C 27.8 0.2 1 83 11 11 PRO CD C 50.6 0.2 1 84 12 12 ARG H H 8.09 0.02 1 85 12 12 ARG HA H 3.87 0.02 1 86 12 12 ARG HB2 H 1.45 0.02 2 87 12 12 ARG HB3 H 1.76 0.02 2 88 12 12 ARG HG2 H 1.49 0.02 2 89 12 12 ARG HG3 H 1.52 0.02 2 90 12 12 ARG HD2 H 3.07 0.02 2 91 12 12 ARG HD3 H 3.20 0.02 2 92 12 12 ARG C C 175.3 0.2 1 93 12 12 ARG CA C 56.5 0.2 1 94 12 12 ARG CB C 30.4 0.2 1 95 12 12 ARG CG C 25.9 0.2 1 96 12 12 ARG CD C 43.5 0.2 1 97 12 12 ARG N N 118.4 0.2 1 98 13 13 THR H H 8.12 0.02 1 99 13 13 THR HA H 4.81 0.02 1 100 13 13 THR HB H 3.94 0.02 1 101 13 13 THR HG2 H 0.79 0.02 1 102 13 13 THR C C 172.1 0.2 1 103 13 13 THR CA C 59.5 0.2 1 104 13 13 THR CB C 71.0 0.2 1 105 13 13 THR CG2 C 19.4 0.2 1 106 13 13 THR N N 116.3 0.2 1 107 14 14 ALA H H 8.75 0.02 1 108 14 14 ALA HA H 4.31 0.02 1 109 14 14 ALA HB H 1.37 0.02 1 110 14 14 ALA C C 175.1 0.2 1 111 14 14 ALA CA C 52.3 0.2 1 112 14 14 ALA CB C 19.4 0.2 1 113 14 14 ALA N N 130.9 0.2 1 114 15 15 ALA H H 7.63 0.02 1 115 15 15 ALA HA H 4.64 0.02 1 116 15 15 ALA HB H 1.19 0.02 1 117 15 15 ALA C C 176.6 0.2 1 118 15 15 ALA CA C 51.5 0.2 1 119 15 15 ALA CB C 21.7 0.2 1 120 15 15 ALA N N 116.8 0.2 1 121 16 16 ILE H H 9.72 0.02 1 122 16 16 ILE HA H 4.16 0.02 1 123 16 16 ILE HB H 1.61 0.02 1 124 16 16 ILE HG12 H -0.08 0.02 2 125 16 16 ILE HG13 H 0.97 0.02 2 126 16 16 ILE HG2 H 0.94 0.02 1 127 16 16 ILE HD1 H -0.85 0.02 1 128 16 16 ILE C C 175.9 0.2 1 129 16 16 ILE CA C 61.8 0.2 1 130 16 16 ILE CB C 39.6 0.2 1 131 16 16 ILE CG1 C 27.7 0.2 1 132 16 16 ILE CG2 C 18.3 0.2 1 133 16 16 ILE CD1 C 13.9 0.2 1 134 16 16 ILE N N 124.2 0.2 1 135 17 17 ASP H H 8.50 0.02 1 136 17 17 ASP HA H 4.57 0.02 1 137 17 17 ASP HB2 H 2.58 0.02 2 138 17 17 ASP HB3 H 2.78 0.02 2 139 17 17 ASP C C 176.2 0.2 1 140 17 17 ASP CA C 57.5 0.2 1 141 17 17 ASP CB C 42.6 0.2 1 142 17 17 ASP N N 127.1 0.2 1 143 18 18 ALA H H 8.29 0.02 1 144 18 18 ALA HA H 4.67 0.02 1 145 18 18 ALA HB H 1.35 0.02 1 146 18 18 ALA C C 175.3 0.2 1 147 18 18 ALA CA C 52.2 0.2 1 148 18 18 ALA CB C 21.7 0.2 1 149 18 18 ALA N N 117.4 0.2 1 150 19 19 TYR H H 8.40 0.02 1 151 19 19 TYR HA H 5.25 0.02 1 152 19 19 TYR HB2 H 2.85 0.02 2 153 19 19 TYR HB3 H 2.97 0.02 2 154 19 19 TYR HD1 H 6.87 0.02 3 155 19 19 TYR HE1 H 6.62 0.02 3 156 19 19 TYR C C 174.0 0.2 1 157 19 19 TYR CA C 56.1 0.2 1 158 19 19 TYR CB C 40.7 0.2 1 159 19 19 TYR CD1 C 133.4 0.2 3 160 19 19 TYR CE1 C 117.8 0.2 3 161 19 19 TYR N N 118.0 0.2 1 162 20 20 GLY H H 7.78 0.02 1 163 20 20 GLY HA2 H 3.78 0.02 2 164 20 20 GLY HA3 H 4.10 0.02 2 165 20 20 GLY C C 173.6 0.2 1 166 20 20 GLY CA C 44.8 0.2 1 167 20 20 GLY N N 109.6 0.2 1 168 21 21 LYS H H 9.07 0.02 1 169 21 21 LYS HA H 3.80 0.02 1 170 21 21 LYS HB2 H 1.75 0.02 2 171 21 21 LYS HB3 H 1.91 0.02 2 172 21 21 LYS C C 176.7 0.2 1 173 21 21 LYS CA C 57.8 0.2 1 174 21 21 LYS CB C 30.9 0.2 1 175 21 21 LYS CG C 25.3 0.2 1 176 21 21 LYS CD C 29.3 0.2 1 177 21 21 LYS CE C 42.1 0.2 1 178 21 21 LYS N N 119.9 0.2 1 179 22 22 GLY H H 8.80 0.02 1 180 22 22 GLY HA2 H 3.74 0.02 2 181 22 22 GLY HA3 H 3.93 0.02 2 182 22 22 GLY C C 174.5 0.2 1 183 22 22 GLY CA C 45.4 0.2 1 184 22 22 GLY N N 106.5 0.2 1 185 23 23 GLY H H 7.63 0.02 1 186 23 23 GLY HA2 H 4.01 0.02 2 187 23 23 GLY HA3 H 4.44 0.02 2 188 23 23 GLY C C 172.5 0.2 1 189 23 23 GLY CA C 45.6 0.2 1 190 23 23 GLY N N 108.8 0.2 1 191 24 24 PHE H H 8.73 0.02 1 192 24 24 PHE HA H 5.22 0.02 1 193 24 24 PHE HB2 H 3.11 0.02 2 194 24 24 PHE HB3 H 3.27 0.02 2 195 24 24 PHE HD1 H 7.48 0.02 3 196 24 24 PHE HE1 H 7.36 0.02 3 197 24 24 PHE HZ H 6.94 0.02 1 198 24 24 PHE C C 174.5 0.2 1 199 24 24 PHE CA C 58.0 0.2 1 200 24 24 PHE CB C 43.9 0.2 1 201 24 24 PHE CD1 C 132.6 0.2 3 202 24 24 PHE CE1 C 131.4 0.2 3 203 24 24 PHE CZ C 130.2 0.2 1 204 24 24 PHE N N 118.6 0.2 1 205 25 25 TYR H H 9.26 0.02 1 206 25 25 TYR HA H 5.25 0.02 1 207 25 25 TYR HB2 H 2.76 0.02 2 208 25 25 TYR HB3 H 3.01 0.02 2 209 25 25 TYR HD1 H 6.82 0.02 3 210 25 25 TYR HE1 H 6.54 0.02 3 211 25 25 TYR C C 174.9 0.2 1 212 25 25 TYR CA C 57.2 0.2 1 213 25 25 TYR CB C 40.4 0.2 1 214 25 25 TYR CD1 C 132.9 0.2 3 215 25 25 TYR CE1 C 117.7 0.2 3 216 25 25 TYR N N 126.0 0.2 1 217 26 26 PHE H H 8.09 0.02 1 218 26 26 PHE HA H 5.03 0.02 1 219 26 26 PHE HB2 H 3.33 0.02 2 220 26 26 PHE HB3 H 3.70 0.02 2 221 26 26 PHE HD1 H 6.96 0.02 3 222 26 26 PHE HE1 H 6.83 0.02 3 223 26 26 PHE HZ H 5.99 0.02 1 224 26 26 PHE C C 174.0 0.2 1 225 26 26 PHE CA C 56.6 0.2 1 226 26 26 PHE CB C 39.9 0.2 1 227 26 26 PHE CD1 C 132.2 0.2 3 228 26 26 PHE CE1 C 130.7 0.2 3 229 26 26 PHE CZ C 128.1 0.2 1 230 26 26 PHE N N 120.6 0.2 1 231 27 27 ALA H H 9.67 0.02 1 232 27 27 ALA HA H 4.13 0.02 1 233 27 27 ALA HB H 1.54 0.02 1 234 27 27 ALA C C 177.3 0.2 1 235 27 27 ALA CA C 53.2 0.2 1 236 27 27 ALA CB C 17.8 0.2 1 237 27 27 ALA N N 124.0 0.2 1 238 28 28 GLY H H 8.76 0.02 1 239 28 28 GLY HA2 H 3.54 0.02 2 240 28 28 GLY HA3 H 3.92 0.02 2 241 28 28 GLY C C 173.9 0.2 1 242 28 28 GLY CA C 45.9 0.2 1 243 28 28 GLY N N 103.8 0.2 1 244 29 29 MET H H 7.47 0.02 1 245 29 29 MET HA H 4.53 0.02 1 246 29 29 MET HG2 H 1.72 0.02 2 247 29 29 MET HG3 H 2.00 0.02 2 248 29 29 MET HE H 1.82 0.02 1 249 29 29 MET C C 173.4 0.2 1 250 29 29 MET CA C 54.2 0.2 1 251 29 29 MET CB C 36.2 0.2 1 252 29 29 MET CG C 31.1 0.2 1 253 29 29 MET CE C 16.9 0.2 1 254 29 29 MET N N 117.8 0.2 1 255 30 30 SER H H 8.22 0.02 1 256 30 30 SER HA H 4.39 0.02 1 257 30 30 SER HB2 H 3.44 0.02 2 258 30 30 SER HB3 H 3.50 0.02 2 259 30 30 SER C C 173.7 0.2 1 260 30 30 SER CA C 57.8 0.2 1 261 30 30 SER CB C 64.1 0.2 1 262 30 30 SER N N 115.7 0.2 1 263 31 31 HIS H H 8.18 0.02 1 264 31 31 HIS HA H 4.62 0.02 1 265 31 31 HIS HB2 H 2.97 0.02 2 266 31 31 HIS HB3 H 3.04 0.02 2 267 31 31 HIS C C 173.2 0.2 1 268 31 31 HIS CA C 54.8 0.2 1 269 31 31 HIS CB C 30.6 0.2 1 270 31 31 HIS N N 120.6 0.2 1 271 32 32 GLN H H 8.80 0.02 1 272 32 32 GLN HA H 4.37 0.02 1 273 32 32 GLN HB2 H 1.98 0.02 2 274 32 32 GLN HB3 H 2.04 0.02 2 275 32 32 GLN HG2 H 2.30 0.02 2 276 32 32 GLN HG3 H 2.36 0.02 2 277 32 32 GLN HE21 H 6.90 0.02 2 278 32 32 GLN HE22 H 7.51 0.02 2 279 32 32 GLN C C 176.1 0.2 1 280 32 32 GLN CA C 56.7 0.2 1 281 32 32 GLN CB C 30.3 0.2 1 282 32 32 GLN CG C 34.1 0.2 1 283 32 32 GLN N N 125.0 0.2 1 284 32 32 GLN NE2 N 111.7 0.2 1 285 33 33 GLY H H 8.40 0.02 1 286 33 33 GLY HA2 H 3.83 0.02 2 287 33 33 GLY HA3 H 4.57 0.02 2 288 33 33 GLY C C 171.7 0.2 1 289 33 33 GLY CA C 44.4 0.2 1 290 33 33 GLY N N 111.3 0.2 1 291 34 34 SER H H 8.26 0.02 1 292 34 34 SER HA H 5.09 0.02 1 293 34 34 SER HB2 H 4.47 0.02 2 294 34 34 SER HB3 H 4.54 0.02 2 295 34 34 SER C C 174.4 0.2 1 296 34 34 SER CA C 59.5 0.2 1 297 34 34 SER CB C 63.5 0.2 1 298 34 34 SER N N 113.1 0.2 1 299 35 35 LEU H H 8.40 0.02 1 300 35 35 LEU HA H 5.17 0.02 1 301 35 35 LEU HB2 H 0.48 0.02 2 302 35 35 LEU HB3 H 1.11 0.02 2 303 35 35 LEU HG H 1.95 0.02 1 304 35 35 LEU HD1 H 0.72 0.02 1 305 35 35 LEU HD2 H 0.78 0.02 1 306 35 35 LEU C C 173.7 0.2 1 307 35 35 LEU CA C 54.7 0.2 1 308 35 35 LEU CB C 49.7 0.2 1 309 35 35 LEU CG C 25.8 0.2 1 310 35 35 LEU CD1 C 28.7 0.2 1 311 35 35 LEU CD2 C 23.4 0.2 1 312 35 35 LEU N N 122.2 0.2 1 313 36 36 LEU H H 9.09 0.02 1 314 36 36 LEU HA H 4.72 0.02 1 315 36 36 LEU HB2 H 1.15 0.02 2 316 36 36 LEU HB3 H 1.20 0.02 2 317 36 36 LEU HG H 0.97 0.02 1 318 36 36 LEU HD1 H 0.35 0.02 1 319 36 36 LEU HD2 H -0.04 0.02 1 320 36 36 LEU C C 174.4 0.2 1 321 36 36 LEU CA C 52.9 0.2 1 322 36 36 LEU CB C 44.4 0.2 1 323 36 36 LEU CG C 26.8 0.2 1 324 36 36 LEU CD1 C 25.4 0.2 1 325 36 36 LEU CD2 C 25.0 0.2 1 326 36 36 LEU N N 120.3 0.2 1 327 37 37 PHE H H 9.73 0.02 1 328 37 37 PHE HA H 4.26 0.02 1 329 37 37 PHE HB2 H 2.63 0.02 2 330 37 37 PHE HB3 H 2.69 0.02 2 331 37 37 PHE HD1 H 6.56 0.02 3 332 37 37 PHE HE1 H 5.83 0.02 3 333 37 37 PHE HZ H 6.06 0.02 1 334 37 37 PHE C C 174.6 0.2 1 335 37 37 PHE CA C 57.5 0.2 1 336 37 37 PHE CB C 38.4 0.2 1 337 37 37 PHE CD1 C 131.5 0.2 3 338 37 37 PHE CE1 C 131.0 0.2 3 339 37 37 PHE CZ C 128.5 0.2 1 340 37 37 PHE N N 125.1 0.2 1 341 38 38 LEU H H 8.44 0.02 1 342 38 38 LEU HA H 4.93 0.02 1 343 38 38 LEU HB2 H 1.79 0.02 2 344 38 38 LEU HB3 H 2.19 0.02 2 345 38 38 LEU HG H 1.61 0.02 1 346 38 38 LEU HD1 H 0.77 0.02 1 347 38 38 LEU HD2 H 0.70 0.02 1 348 38 38 LEU CA C 52.6 0.2 1 349 38 38 LEU CB C 41.8 0.2 1 350 38 38 LEU CG C 27.8 0.2 1 351 38 38 LEU CD1 C 26.7 0.2 1 352 38 38 LEU CD2 C 23.9 0.2 1 353 38 38 LEU N N 123.5 0.2 1 354 39 39 PRO HA H 4.45 0.02 1 355 39 39 PRO HB2 H 1.84 0.02 2 356 39 39 PRO HB3 H 2.44 0.02 2 357 39 39 PRO HG2 H 1.97 0.02 2 358 39 39 PRO HG3 H 2.03 0.02 2 359 39 39 PRO HD2 H 3.46 0.02 2 360 39 39 PRO HD3 H 3.74 0.02 2 361 39 39 PRO C C 176.8 0.2 1 362 39 39 PRO CA C 65.1 0.2 1 363 39 39 PRO CB C 32.1 0.2 1 364 39 39 PRO CG C 28.1 0.2 1 365 39 39 PRO CD C 50.4 0.2 1 366 40 40 ASP H H 8.24 0.02 1 367 40 40 ASP HA H 4.67 0.02 1 368 40 40 ASP HB2 H 2.63 0.02 2 369 40 40 ASP HB3 H 2.78 0.02 2 370 40 40 ASP C C 175.9 0.2 1 371 40 40 ASP CA C 53.4 0.2 1 372 40 40 ASP CB C 41.4 0.2 1 373 40 40 ASP N N 109.5 0.2 1 374 41 41 ALA H H 7.58 0.02 1 375 41 41 ALA HA H 4.24 0.02 1 376 41 41 ALA HB H 1.01 0.02 1 377 41 41 ALA C C 173.5 0.2 1 378 41 41 ALA CA C 52.4 0.2 1 379 41 41 ALA CB C 22.2 0.2 1 380 41 41 ALA N N 121.7 0.2 1 381 42 42 VAL H H 7.95 0.02 1 382 42 42 VAL HA H 4.68 0.02 1 383 42 42 VAL HB H 1.63 0.02 1 384 42 42 VAL HG1 H -0.09 0.02 1 385 42 42 VAL HG2 H 0.62 0.02 1 386 42 42 VAL C C 174.9 0.2 1 387 42 42 VAL CA C 61.0 0.2 1 388 42 42 VAL CB C 33.5 0.2 1 389 42 42 VAL CG1 C 21.6 0.2 1 390 42 42 VAL CG2 C 22.3 0.2 1 391 42 42 VAL N N 118.2 0.2 1 392 43 43 TRP H H 9.17 0.02 1 393 43 43 TRP HA H 4.97 0.02 1 394 43 43 TRP HB2 H 2.65 0.02 2 395 43 43 TRP HB3 H 3.39 0.02 2 396 43 43 TRP HD1 H 6.65 0.02 1 397 43 43 TRP HE1 H 10.23 0.02 1 398 43 43 TRP HE3 H 7.46 0.02 1 399 43 43 TRP HZ2 H 7.08 0.02 1 400 43 43 TRP HH2 H 6.80 0.02 1 401 43 43 TRP C C 176.6 0.2 1 402 43 43 TRP CA C 55.4 0.2 1 403 43 43 TRP CB C 33.1 0.2 1 404 43 43 TRP CD1 C 125.3 0.2 1 405 43 43 TRP CE3 C 120.4 0.2 1 406 43 43 TRP CZ2 C 113.9 0.2 1 407 43 43 TRP CH2 C 124.1 0.2 1 408 43 43 TRP N N 126.0 0.2 1 409 43 43 TRP NE1 N 129.5 0.2 1 410 44 44 GLY H H 8.87 0.02 1 411 44 44 GLY HA2 H 3.79 0.02 2 412 44 44 GLY HA3 H 4.23 0.02 2 413 44 44 GLY C C 171.6 0.2 1 414 44 44 GLY CA C 47.0 0.2 1 415 44 44 GLY N N 107.6 0.2 1 416 45 45 TRP H H 7.85 0.02 1 417 45 45 TRP HA H 5.27 0.02 1 418 45 45 TRP HB2 H 2.60 0.02 2 419 45 45 TRP HB3 H 3.01 0.02 2 420 45 45 TRP HD1 H 7.54 0.02 1 421 45 45 TRP HE1 H 9.78 0.02 1 422 45 45 TRP HE3 H 7.50 0.02 1 423 45 45 TRP HZ2 H 6.92 0.02 1 424 45 45 TRP HZ3 H 6.86 0.02 1 425 45 45 TRP HH2 H 6.59 0.02 1 426 45 45 TRP C C 175.6 0.2 1 427 45 45 TRP CA C 53.9 0.2 1 428 45 45 TRP CB C 32.2 0.2 1 429 45 45 TRP CD1 C 125.1 0.2 1 430 45 45 TRP CE3 C 120.7 0.2 1 431 45 45 TRP CZ2 C 113.7 0.2 1 432 45 45 TRP CZ3 C 122.9 0.2 1 433 45 45 TRP CH2 C 123.6 0.2 1 434 45 45 TRP N N 125.5 0.2 1 435 45 45 TRP NE1 N 128.7 0.2 1 436 46 46 ASP H H 8.79 0.02 1 437 46 46 ASP HA H 4.54 0.02 1 438 46 46 ASP HB2 H 2.53 0.02 2 439 46 46 ASP HB3 H 2.72 0.02 2 440 46 46 ASP C C 175.0 0.2 1 441 46 46 ASP CA C 54.3 0.2 1 442 46 46 ASP CB C 39.5 0.2 1 443 46 46 ASP N N 128.1 0.2 1 444 47 47 VAL H H 6.58 0.02 1 445 47 47 VAL HA H 3.66 0.02 1 446 47 47 VAL HB H -0.30 0.02 1 447 47 47 VAL HG1 H 0.03 0.02 1 448 47 47 VAL HG2 H -0.22 0.02 1 449 47 47 VAL C C 175.2 0.2 1 450 47 47 VAL CA C 62.1 0.2 1 451 47 47 VAL CB C 34.1 0.2 1 452 47 47 VAL CG1 C 21.9 0.2 1 453 47 47 VAL CG2 C 20.6 0.2 1 454 47 47 VAL N N 120.4 0.2 1 455 48 48 THR H H 9.02 0.02 1 456 48 48 THR HA H 4.32 0.02 1 457 48 48 THR HB H 4.24 0.02 1 458 48 48 THR HG2 H 1.15 0.02 1 459 48 48 THR C C 173.9 0.2 1 460 48 48 THR CA C 61.2 0.2 1 461 48 48 THR CB C 70.9 0.2 1 462 48 48 THR CG2 C 21.6 0.2 1 463 48 48 THR N N 115.1 0.2 1 464 49 49 LYS H H 7.45 0.02 1 465 49 49 LYS HA H 4.70 0.02 1 466 49 49 LYS HB2 H 1.52 0.02 2 467 49 49 LYS HB3 H 1.96 0.02 2 468 49 49 LYS HG2 H 1.24 0.02 2 469 49 49 LYS HG3 H 1.33 0.02 2 470 49 49 LYS HE2 H 2.83 0.02 2 471 49 49 LYS HE3 H 2.85 0.02 2 472 49 49 LYS CA C 53.4 0.2 1 473 49 49 LYS CB C 34.2 0.2 1 474 49 49 LYS CG C 27.1 0.2 1 475 49 49 LYS N N 120.5 0.2 1 476 50 50 PRO HA H 3.30 0.02 1 477 50 50 PRO HB2 H 0.85 0.02 2 478 50 50 PRO HB3 H 0.98 0.02 2 479 50 50 PRO HG2 H 1.85 0.02 2 480 50 50 PRO HG3 H 1.87 0.02 2 481 50 50 PRO HD2 H 3.39 0.02 2 482 50 50 PRO HD3 H 3.79 0.02 2 483 50 50 PRO C C 175.5 0.2 1 484 50 50 PRO CA C 64.2 0.2 1 485 50 50 PRO CB C 30.3 0.2 1 486 50 50 PRO CG C 28.0 0.2 1 487 50 50 PRO CD C 50.3 0.2 1 488 51 51 GLU H H 8.75 0.02 1 489 51 51 GLU HA H 4.20 0.02 1 490 51 51 GLU HB2 H 1.98 0.02 2 491 51 51 GLU HB3 H 2.06 0.02 2 492 51 51 GLU HG2 H 2.30 0.02 2 493 51 51 GLU HG3 H 2.33 0.02 2 494 51 51 GLU C C 177.5 0.2 1 495 51 51 GLU CA C 59.1 0.2 1 496 51 51 GLU CB C 28.4 0.2 1 497 51 51 GLU CG C 36.6 0.2 1 498 51 51 GLU N N 114.9 0.2 1 499 52 52 GLN H H 7.49 0.02 1 500 52 52 GLN HA H 4.17 0.02 1 501 52 52 GLN HB2 H 2.07 0.02 2 502 52 52 GLN HB3 H 2.22 0.02 2 503 52 52 GLN HG2 H 2.03 0.02 2 504 52 52 GLN HG3 H 2.37 0.02 2 505 52 52 GLN HE21 H 6.74 0.02 2 506 52 52 GLN HE22 H 7.55 0.02 2 507 52 52 GLN C C 176.3 0.2 1 508 52 52 GLN CA C 55.4 0.2 1 509 52 52 GLN CB C 29.9 0.2 1 510 52 52 GLN CG C 34.2 0.2 1 511 52 52 GLN N N 115.9 0.2 1 512 52 52 GLN NE2 N 110.9 0.2 1 513 53 53 ILE H H 7.72 0.02 1 514 53 53 ILE HA H 3.59 0.02 1 515 53 53 ILE HB H 1.80 0.02 1 516 53 53 ILE HG12 H 0.65 0.02 2 517 53 53 ILE HG13 H 1.28 0.02 2 518 53 53 ILE HG2 H 0.84 0.02 1 519 53 53 ILE HD1 H 0.15 0.02 1 520 53 53 ILE C C 173.4 0.2 1 521 53 53 ILE CA C 63.6 0.2 1 522 53 53 ILE CB C 35.9 0.2 1 523 53 53 ILE CG1 C 28.3 0.2 1 524 53 53 ILE CG2 C 18.1 0.2 1 525 53 53 ILE CD1 C 13.5 0.2 1 526 53 53 ILE N N 121.3 0.2 1 527 54 54 ASP H H 8.16 0.02 1 528 54 54 ASP HA H 4.60 0.02 1 529 54 54 ASP HB2 H 2.98 0.02 2 530 54 54 ASP HB3 H 3.14 0.02 2 531 54 54 ASP C C 176.1 0.2 1 532 54 54 ASP CA C 52.4 0.2 1 533 54 54 ASP CB C 42.1 0.2 1 534 54 54 ASP N N 126.5 0.2 1 535 55 55 ARG H H 8.89 0.02 1 536 55 55 ARG HA H 3.74 0.02 1 537 55 55 ARG HB2 H 1.33 0.02 2 538 55 55 ARG HB3 H 1.40 0.02 2 539 55 55 ARG HG2 H 0.47 0.02 2 540 55 55 ARG HG3 H 1.05 0.02 2 541 55 55 ARG HD2 H 2.50 0.02 2 542 55 55 ARG HD3 H 2.52 0.02 2 543 55 55 ARG HE H 6.49 0.02 1 544 55 55 ARG C C 176.9 0.2 1 545 55 55 ARG CA C 59.4 0.2 1 546 55 55 ARG CB C 29.1 0.2 1 547 55 55 ARG CG C 25.5 0.2 1 548 55 55 ARG CD C 42.8 0.2 1 549 55 55 ARG N N 117.3 0.2 1 550 55 55 ARG NE N 114.6 0.2 1 551 56 56 TYR H H 7.71 0.02 1 552 56 56 TYR HA H 4.29 0.02 1 553 56 56 TYR HB2 H 3.06 0.02 2 554 56 56 TYR HB3 H 3.16 0.02 2 555 56 56 TYR HD1 H 7.13 0.02 3 556 56 56 TYR HE1 H 6.75 0.02 3 557 56 56 TYR C C 180.0 0.2 1 558 56 56 TYR CA C 60.6 0.2 1 559 56 56 TYR CB C 37.0 0.2 1 560 56 56 TYR CD1 C 133.0 0.2 3 561 56 56 TYR CE1 C 118.2 0.2 3 562 56 56 TYR N N 119.6 0.2 1 563 57 57 SER H H 9.15 0.02 1 564 57 57 SER HA H 4.56 0.02 1 565 57 57 SER HB2 H 4.11 0.02 1 566 57 57 SER HB3 H 4.18 0.02 1 567 57 57 SER C C 177.6 0.2 1 568 57 57 SER CA C 60.5 0.2 1 569 57 57 SER CB C 62.9 0.2 1 570 57 57 SER N N 118.2 0.2 1 571 58 58 LEU H H 7.64 0.02 1 572 58 58 LEU HA H 4.63 0.02 1 573 58 58 LEU HB2 H 1.74 0.02 2 574 58 58 LEU HB3 H 1.85 0.02 2 575 58 58 LEU HG H 1.98 0.02 1 576 58 58 LEU HD1 H 0.72 0.02 1 577 58 58 LEU HD2 H 0.60 0.02 1 578 58 58 LEU C C 177.2 0.2 1 579 58 58 LEU CA C 53.6 0.2 1 580 58 58 LEU CB C 42.4 0.2 1 581 58 58 LEU CG C 25.9 0.2 1 582 58 58 LEU CD1 C 26.7 0.2 1 583 58 58 LEU CD2 C 22.8 0.2 1 584 58 58 LEU N N 121.4 0.2 1 585 59 59 GLN H H 7.66 0.02 1 586 59 59 GLN HA H 3.89 0.02 1 587 59 59 GLN HB2 H 1.88 0.02 2 588 59 59 GLN HB3 H 2.65 0.02 2 589 59 59 GLN HG2 H 2.30 0.02 2 590 59 59 GLN HG3 H 2.36 0.02 2 591 59 59 GLN HE21 H 6.91 0.02 1 592 59 59 GLN HE22 H 7.98 0.02 1 593 59 59 GLN C C 176.5 0.2 1 594 59 59 GLN CA C 60.2 0.2 1 595 59 59 GLN CB C 28.9 0.2 1 596 59 59 GLN CG C 32.9 0.2 1 597 59 59 GLN N N 124.7 0.2 1 598 59 59 GLN NE2 N 117.0 0.2 1 599 60 60 ARG H H 8.89 0.02 1 600 60 60 ARG HA H 3.90 0.02 1 601 60 60 ARG HB2 H 1.22 0.02 2 602 60 60 ARG HB3 H 1.38 0.02 2 603 60 60 ARG HG2 H 1.09 0.02 2 604 60 60 ARG HG3 H 1.27 0.02 2 605 60 60 ARG HD2 H 1.79 0.02 2 606 60 60 ARG HD3 H 2.06 0.02 2 607 60 60 ARG HE H 6.77 0.02 1 608 60 60 ARG C C 179.4 0.2 1 609 60 60 ARG CA C 59.7 0.2 1 610 60 60 ARG CB C 30.4 0.2 1 611 60 60 ARG CG C 27.8 0.2 1 612 60 60 ARG CD C 41.9 0.2 1 613 60 60 ARG N N 115.5 0.2 1 614 60 60 ARG NE N 112.8 0.2 1 615 61 61 VAL H H 7.57 0.02 1 616 61 61 VAL HA H 3.20 0.02 1 617 61 61 VAL HB H 2.10 0.02 1 618 61 61 VAL HG1 H 0.45 0.02 1 619 61 61 VAL HG2 H 0.61 0.02 1 620 61 61 VAL C C 177.1 0.2 1 621 61 61 VAL CA C 66.3 0.2 1 622 61 61 VAL CB C 30.5 0.2 1 623 61 61 VAL CG1 C 20.6 0.2 1 624 61 61 VAL CG2 C 23.3 0.2 1 625 61 61 VAL N N 116.6 0.2 1 626 62 62 PHE H H 7.23 0.02 1 627 62 62 PHE HA H 3.70 0.02 1 628 62 62 PHE HB2 H 3.00 0.02 2 629 62 62 PHE HB3 H 3.07 0.02 2 630 62 62 PHE HD1 H 7.19 0.02 3 631 62 62 PHE HE1 H 6.94 0.02 3 632 62 62 PHE HZ H 6.79 0.02 1 633 62 62 PHE C C 179.5 0.2 1 634 62 62 PHE CA C 63.5 0.2 1 635 62 62 PHE CB C 38.4 0.2 1 636 62 62 PHE CD1 C 132.3 0.2 3 637 62 62 PHE CE1 C 130.6 0.2 3 638 62 62 PHE CZ C 128.0 0.2 1 639 62 62 PHE N N 117.3 0.2 1 640 63 63 ASP H H 8.68 0.02 1 641 63 63 ASP HA H 4.40 0.02 1 642 63 63 ASP HB2 H 2.48 0.02 2 643 63 63 ASP HB3 H 2.65 0.02 2 644 63 63 ASP C C 176.6 0.2 1 645 63 63 ASP CA C 56.8 0.2 1 646 63 63 ASP CB C 40.5 0.2 1 647 63 63 ASP N N 118.5 0.2 1 648 64 64 ASN H H 7.15 0.02 1 649 64 64 ASN HA H 4.93 0.02 1 650 64 64 ASN HB2 H 2.33 0.02 2 651 64 64 ASN HB3 H 2.94 0.02 2 652 64 64 ASN HD21 H 7.25 0.02 2 653 64 64 ASN HD22 H 7.90 0.02 2 654 64 64 ASN C C 175.0 0.2 1 655 64 64 ASN CA C 53.0 0.2 1 656 64 64 ASN CB C 40.4 0.2 1 657 64 64 ASN N N 116.9 0.2 1 658 64 64 ASN ND2 N 115.9 0.2 1 659 65 65 ALA H H 7.16 0.02 1 660 65 65 ALA HA H 3.66 0.02 1 661 65 65 ALA HB H 1.45 0.02 1 662 65 65 ALA C C 177.8 0.2 1 663 65 65 ALA CA C 56.0 0.2 1 664 65 65 ALA CB C 18.5 0.2 1 665 65 65 ALA N N 122.4 0.2 1 666 66 66 ASN H H 8.37 0.02 1 667 66 66 ASN HA H 4.44 0.02 1 668 66 66 ASN HB2 H 2.76 0.02 2 669 66 66 ASN HB3 H 2.78 0.02 2 670 66 66 ASN HD21 H 6.95 0.02 2 671 66 66 ASN HD22 H 7.66 0.02 2 672 66 66 ASN C C 175.6 0.2 1 673 66 66 ASN CA C 55.0 0.2 1 674 66 66 ASN CB C 37.8 0.2 1 675 66 66 ASN N N 112.2 0.2 1 676 66 66 ASN ND2 N 113.2 0.2 1 677 67 67 ALA H H 7.89 0.02 1 678 67 67 ALA HA H 4.43 0.02 1 679 67 67 ALA HB H 1.40 0.02 1 680 67 67 ALA C C 175.7 0.2 1 681 67 67 ALA CA C 51.8 0.2 1 682 67 67 ALA CB C 20.5 0.2 1 683 67 67 ALA N N 121.0 0.2 1 684 68 68 ILE H H 7.26 0.02 1 685 68 68 ILE HA H 3.99 0.02 1 686 68 68 ILE HB H 1.44 0.02 1 687 68 68 ILE HG12 H 0.61 0.02 2 688 68 68 ILE HG13 H 1.45 0.02 2 689 68 68 ILE HG2 H 0.58 0.02 1 690 68 68 ILE HD1 H 0.56 0.02 1 691 68 68 ILE C C 172.4 0.2 1 692 68 68 ILE CA C 60.4 0.2 1 693 68 68 ILE CB C 42.9 0.2 1 694 68 68 ILE CG1 C 26.0 0.2 1 695 68 68 ILE CG2 C 18.7 0.2 1 696 68 68 ILE CD1 C 15.2 0.2 1 697 68 68 ILE N N 114.6 0.2 1 698 69 69 ASP H H 8.53 0.02 1 699 69 69 ASP HA H 5.18 0.02 1 700 69 69 ASP HB2 H 2.75 0.02 2 701 69 69 ASP HB3 H 2.86 0.02 2 702 69 69 ASP C C 176.9 0.2 1 703 69 69 ASP CA C 55.0 0.2 1 704 69 69 ASP CB C 43.0 0.2 1 705 69 69 ASP N N 118.3 0.2 1 706 70 70 THR H H 7.45 0.02 1 707 70 70 THR HA H 4.89 0.02 1 708 70 70 THR HB H 3.66 0.02 1 709 70 70 THR HG2 H 0.98 0.02 1 710 70 70 THR C C 170.9 0.2 1 711 70 70 THR CA C 61.9 0.2 1 712 70 70 THR CB C 72.7 0.2 1 713 70 70 THR CG2 C 21.1 0.2 1 714 70 70 THR N N 116.5 0.2 1 715 71 71 LEU H H 9.26 0.02 1 716 71 71 LEU HA H 4.83 0.02 1 717 71 71 LEU HB2 H 0.73 0.02 2 718 71 71 LEU HB3 H 1.58 0.02 2 719 71 71 LEU HG H 1.17 0.02 1 720 71 71 LEU HD1 H 0.51 0.02 1 721 71 71 LEU HD2 H 0.61 0.02 1 722 71 71 LEU C C 173.6 0.2 1 723 71 71 LEU CA C 52.6 0.2 1 724 71 71 LEU CB C 44.9 0.2 1 725 71 71 LEU CG C 27.4 0.2 1 726 71 71 LEU CD1 C 23.3 0.2 1 727 71 71 LEU CD2 C 27.4 0.2 1 728 71 71 LEU N N 127.6 0.2 1 729 72 72 ILE H H 9.00 0.02 1 730 72 72 ILE HA H 4.81 0.02 1 731 72 72 ILE HB H 1.71 0.02 1 732 72 72 ILE HG12 H 0.99 0.02 2 733 72 72 ILE HG13 H 1.53 0.02 2 734 72 72 ILE HG2 H 0.83 0.02 1 735 72 72 ILE HD1 H 0.91 0.02 1 736 72 72 ILE C C 175.5 0.2 1 737 72 72 ILE CA C 59.4 0.2 1 738 72 72 ILE CB C 39.7 0.2 1 739 72 72 ILE CG1 C 27.6 0.2 1 740 72 72 ILE CG2 C 17.7 0.2 1 741 72 72 ILE CD1 C 14.8 0.2 1 742 72 72 ILE N N 128.2 0.2 1 743 73 73 VAL H H 8.89 0.02 1 744 73 73 VAL HA H 5.01 0.02 1 745 73 73 VAL HB H 1.97 0.02 1 746 73 73 VAL HG1 H 0.98 0.02 1 747 73 73 VAL HG2 H 0.85 0.02 1 748 73 73 VAL C C 174.6 0.2 1 749 73 73 VAL CA C 60.5 0.2 1 750 73 73 VAL CB C 34.3 0.2 1 751 73 73 VAL CG1 C 21.7 0.2 1 752 73 73 VAL CG2 C 22.9 0.2 1 753 73 73 VAL N N 128.1 0.2 1 754 74 74 GLY H H 9.35 0.02 1 755 74 74 GLY HA2 H 3.16 0.02 2 756 74 74 GLY HA3 H 5.10 0.02 2 757 74 74 GLY C C 175.1 0.2 1 758 74 74 GLY CA C 44.8 0.2 1 759 74 74 GLY N N 114.6 0.2 1 760 75 75 THR H H 9.63 0.02 1 761 75 75 THR HA H 3.80 0.02 1 762 75 75 THR HB H 4.60 0.02 1 763 75 75 THR HG2 H 1.41 0.02 1 764 75 75 THR C C 173.3 0.2 1 765 75 75 THR CA C 62.6 0.2 1 766 75 75 THR CB C 67.8 0.2 1 767 75 75 THR CG2 C 23.0 0.2 1 768 75 75 THR N N 115.5 0.2 1 769 76 76 GLY H H 8.43 0.02 1 770 76 76 GLY HA2 H 3.31 0.02 2 771 76 76 GLY HA3 H 4.19 0.02 2 772 76 76 GLY C C 174.6 0.2 1 773 76 76 GLY CA C 44.7 0.2 1 774 76 76 GLY N N 111.7 0.2 1 775 77 77 ALA H H 9.15 0.02 1 776 77 77 ALA HA H 4.48 0.02 1 777 77 77 ALA HB H 1.43 0.02 1 778 77 77 ALA C C 177.2 0.2 1 779 77 77 ALA CA C 52.8 0.2 1 780 77 77 ALA CB C 19.7 0.2 1 781 77 77 ALA N N 128.3 0.2 1 782 78 78 ASP H H 8.05 0.02 1 783 78 78 ASP HA H 4.99 0.02 1 784 78 78 ASP HB2 H 2.63 0.02 2 785 78 78 ASP HB3 H 2.78 0.02 2 786 78 78 ASP CA C 53.1 0.2 1 787 78 78 ASP CB C 43.6 0.2 1 788 78 78 ASP N N 118.1 0.2 1 789 79 79 VAL H H 8.57 0.02 1 790 79 79 VAL HA H 4.08 0.02 1 791 79 79 VAL HB H 1.91 0.02 1 792 79 79 VAL HG1 H 0.84 0.02 1 793 79 79 VAL HG2 H 0.96 0.02 1 794 79 79 VAL C C 175.5 0.2 1 795 79 79 VAL CA C 62.6 0.2 1 796 79 79 VAL CB C 32.3 0.2 1 797 79 79 VAL CG1 C 21.0 0.2 2 798 79 79 VAL CG2 C 21.2 0.2 2 799 79 79 VAL N N 120.5 0.2 1 800 80 80 TRP H H 8.16 0.02 1 801 80 80 TRP HA H 4.72 0.02 1 802 80 80 TRP HB2 H 2.92 0.02 2 803 80 80 TRP HB3 H 3.04 0.02 2 804 80 80 TRP HD1 H 7.29 0.02 1 805 80 80 TRP HE1 H 10.10 0.02 1 806 80 80 TRP HE3 H 7.21 0.02 1 807 80 80 TRP HZ2 H 7.49 0.02 1 808 80 80 TRP HZ3 H 6.62 0.02 1 809 80 80 TRP HH2 H 6.87 0.02 1 810 80 80 TRP C C 173.4 0.2 1 811 80 80 TRP CA C 57.4 0.2 1 812 80 80 TRP CB C 32.5 0.2 1 813 80 80 TRP CD1 C 127.5 0.2 1 814 80 80 TRP CE3 C 120.0 0.2 1 815 80 80 TRP CZ2 C 115.9 0.2 1 816 80 80 TRP CZ3 C 119.6 0.2 1 817 80 80 TRP CH2 C 121.9 0.2 1 818 80 80 TRP N N 128.9 0.2 1 819 80 80 TRP NE1 N 131.1 0.2 1 820 81 81 ILE H H 7.64 0.02 1 821 81 81 ILE HA H 3.93 0.02 1 822 81 81 ILE HB H 1.42 0.02 1 823 81 81 ILE HG12 H 1.01 0.02 2 824 81 81 ILE HG13 H 1.24 0.02 2 825 81 81 ILE HG2 H 0.63 0.02 1 826 81 81 ILE HD1 H 0.66 0.02 1 827 81 81 ILE C C 173.9 0.2 1 828 81 81 ILE CA C 58.3 0.2 1 829 81 81 ILE CB C 38.1 0.2 1 830 81 81 ILE CG1 C 26.8 0.2 1 831 81 81 ILE CG2 C 17.0 0.2 1 832 81 81 ILE CD1 C 11.7 0.2 1 833 81 81 ILE N N 128.4 0.2 1 834 82 82 ALA H H 8.27 0.02 1 835 82 82 ALA HA H 2.95 0.02 1 836 82 82 ALA HB H 0.94 0.02 1 837 82 82 ALA CA C 49.6 0.2 1 838 82 82 ALA CB C 18.6 0.2 1 839 82 82 ALA N N 129.4 0.2 1 840 83 83 PRO HA H 4.38 0.02 1 841 83 83 PRO HB2 H 1.97 0.02 2 842 83 83 PRO HB3 H 2.47 0.02 2 843 83 83 PRO HG2 H 2.19 0.02 2 844 83 83 PRO HG3 H 2.24 0.02 2 845 83 83 PRO HD2 H 3.40 0.02 2 846 83 83 PRO HD3 H 3.76 0.02 2 847 83 83 PRO C C 177.7 0.2 1 848 83 83 PRO CA C 62.2 0.2 1 849 83 83 PRO CB C 32.4 0.2 1 850 83 83 PRO CG C 27.8 0.2 1 851 83 83 PRO CD C 52.0 0.2 1 852 84 84 ARG H H 8.88 0.02 1 853 84 84 ARG HA H 3.88 0.02 1 854 84 84 ARG HB2 H 1.73 0.02 2 855 84 84 ARG HB3 H 1.91 0.02 2 856 84 84 ARG C C 178.2 0.2 1 857 84 84 ARG CA C 59.7 0.2 1 858 84 84 ARG CB C 29.8 0.2 1 859 84 84 ARG CG C 27.1 0.2 1 860 84 84 ARG CD C 43.3 0.2 1 861 84 84 ARG N N 125.5 0.2 1 862 85 85 GLN H H 9.18 0.02 1 863 85 85 GLN HA H 4.06 0.02 1 864 85 85 GLN HB2 H 2.00 0.02 2 865 85 85 GLN HB3 H 2.10 0.02 2 866 85 85 GLN HG2 H 2.46 0.02 2 867 85 85 GLN HG3 H 2.50 0.02 2 868 85 85 GLN C C 179.0 0.2 1 869 85 85 GLN CA C 59.4 0.2 1 870 85 85 GLN CB C 27.8 0.2 1 871 85 85 GLN CG C 34.1 0.2 1 872 85 85 GLN N N 115.6 0.2 1 873 86 86 LEU H H 7.14 0.02 1 874 86 86 LEU HA H 4.32 0.02 1 875 86 86 LEU HB2 H 1.81 0.02 2 876 86 86 LEU HB3 H 1.86 0.02 2 877 86 86 LEU HG H 1.51 0.02 1 878 86 86 LEU HD1 H 0.94 0.02 1 879 86 86 LEU HD2 H 1.02 0.02 1 880 86 86 LEU C C 177.8 0.2 1 881 86 86 LEU CA C 57.3 0.2 1 882 86 86 LEU CB C 41.9 0.2 1 883 86 86 LEU CG C 27.5 0.2 1 884 86 86 LEU CD1 C 21.8 0.2 1 885 86 86 LEU CD2 C 26.2 0.2 1 886 86 86 LEU N N 120.8 0.2 1 887 87 87 ARG H H 7.40 0.02 1 888 87 87 ARG HA H 3.72 0.02 1 889 87 87 ARG HB2 H 1.72 0.02 2 890 87 87 ARG HB3 H 1.91 0.02 2 891 87 87 ARG C C 179.8 0.2 1 892 87 87 ARG CA C 60.8 0.2 1 893 87 87 ARG CB C 30.0 0.2 1 894 87 87 ARG CG C 28.3 0.2 1 895 87 87 ARG CD C 42.9 0.2 1 896 87 87 ARG N N 118.9 0.2 1 897 88 88 GLU H H 8.93 0.02 1 898 88 88 GLU HA H 4.05 0.02 1 899 88 88 GLU HB2 H 2.00 0.02 2 900 88 88 GLU HB3 H 2.07 0.02 2 901 88 88 GLU HG2 H 2.27 0.02 2 902 88 88 GLU HG3 H 2.36 0.02 2 903 88 88 GLU C C 179.0 0.2 1 904 88 88 GLU CA C 59.0 0.2 1 905 88 88 GLU CB C 29.3 0.2 1 906 88 88 GLU CG C 36.5 0.2 1 907 88 88 GLU N N 118.5 0.2 1 908 89 89 ALA H H 7.91 0.02 1 909 89 89 ALA HA H 4.26 0.02 1 910 89 89 ALA HB H 1.63 0.02 1 911 89 89 ALA C C 181.4 0.2 1 912 89 89 ALA CA C 55.2 0.2 1 913 89 89 ALA CB C 17.9 0.2 1 914 89 89 ALA N N 124.2 0.2 1 915 90 90 LEU H H 7.83 0.02 1 916 90 90 LEU HA H 3.94 0.02 1 917 90 90 LEU HB2 H 1.41 0.02 2 918 90 90 LEU HB3 H 1.67 0.02 2 919 90 90 LEU HG H 1.52 0.02 1 920 90 90 LEU HD1 H 0.64 0.02 1 921 90 90 LEU HD2 H -0.03 0.02 1 922 90 90 LEU C C 178.9 0.2 1 923 90 90 LEU CA C 57.3 0.2 1 924 90 90 LEU CB C 40.5 0.2 1 925 90 90 LEU CG C 27.8 0.2 1 926 90 90 LEU CD1 C 28.4 0.2 1 927 90 90 LEU CD2 C 22.3 0.2 1 928 90 90 LEU N N 118.5 0.2 1 929 91 91 ARG H H 8.30 0.02 1 930 91 91 ARG HA H 3.96 0.02 1 931 91 91 ARG HB2 H 1.93 0.02 2 932 91 91 ARG HB3 H 1.98 0.02 2 933 91 91 ARG C C 180.8 0.2 1 934 91 91 ARG CA C 59.4 0.2 1 935 91 91 ARG CB C 29.7 0.2 1 936 91 91 ARG CG C 27.2 0.2 1 937 91 91 ARG CD C 43.2 0.2 1 938 91 91 ARG N N 122.8 0.2 1 939 92 92 GLY H H 8.10 0.02 1 940 92 92 GLY HA2 H 3.96 0.02 2 941 92 92 GLY HA3 H 4.00 0.02 2 942 92 92 GLY C C 175.0 0.2 1 943 92 92 GLY CA C 46.6 0.2 1 944 92 92 GLY N N 107.1 0.2 1 945 93 93 VAL H H 7.26 0.02 1 946 93 93 VAL HA H 4.61 0.02 1 947 93 93 VAL HB H 2.50 0.02 1 948 93 93 VAL HG1 H 1.04 0.02 1 949 93 93 VAL HG2 H 0.79 0.02 1 950 93 93 VAL C C 174.2 0.2 1 951 93 93 VAL CA C 60.3 0.2 1 952 93 93 VAL CB C 30.4 0.2 1 953 93 93 VAL CG1 C 21.7 0.2 1 954 93 93 VAL CG2 C 19.6 0.2 1 955 93 93 VAL N N 111.3 0.2 1 956 94 94 ASN H H 8.01 0.02 1 957 94 94 ASN HA H 4.26 0.02 1 958 94 94 ASN HB2 H 2.88 0.02 2 959 94 94 ASN HB3 H 3.00 0.02 2 960 94 94 ASN HD21 H 6.83 0.02 2 961 94 94 ASN HD22 H 7.57 0.02 2 962 94 94 ASN C C 173.8 0.2 1 963 94 94 ASN CA C 54.5 0.2 1 964 94 94 ASN CB C 36.8 0.2 1 965 94 94 ASN N N 115.3 0.2 1 966 94 94 ASN ND2 N 113.9 0.2 1 967 95 95 VAL H H 7.91 0.02 1 968 95 95 VAL HA H 4.11 0.02 1 969 95 95 VAL HB H 1.44 0.02 1 970 95 95 VAL HG1 H 0.36 0.02 1 971 95 95 VAL HG2 H 0.61 0.02 1 972 95 95 VAL C C 175.4 0.2 1 973 95 95 VAL CA C 61.6 0.2 1 974 95 95 VAL CB C 33.7 0.2 1 975 95 95 VAL CG1 C 23.2 0.2 1 976 95 95 VAL CG2 C 21.1 0.2 1 977 95 95 VAL N N 119.3 0.2 1 978 96 96 VAL H H 8.08 0.02 1 979 96 96 VAL HA H 3.71 0.02 1 980 96 96 VAL HB H 2.02 0.02 1 981 96 96 VAL HG1 H 0.82 0.02 2 982 96 96 VAL HG2 H 0.96 0.02 2 983 96 96 VAL C C 173.5 0.2 1 984 96 96 VAL CA C 62.8 0.2 1 985 96 96 VAL CB C 33.0 0.2 1 986 96 96 VAL CG1 C 21.0 0.2 2 987 96 96 VAL CG2 C 22.0 0.2 2 988 96 96 VAL N N 128.1 0.2 1 989 97 97 LEU H H 7.93 0.02 1 990 97 97 LEU HA H 5.03 0.02 1 991 97 97 LEU HB2 H 1.24 0.02 2 992 97 97 LEU HB3 H 1.82 0.02 2 993 97 97 LEU HG H 1.40 0.02 1 994 97 97 LEU HD1 H 0.77 0.02 1 995 97 97 LEU HD2 H 0.61 0.02 1 996 97 97 LEU C C 175.0 0.2 1 997 97 97 LEU CA C 53.6 0.2 1 998 97 97 LEU CB C 44.2 0.2 1 999 97 97 LEU CG C 27.1 0.2 1 1000 97 97 LEU CD1 C 23.5 0.2 1 1001 97 97 LEU CD2 C 26.0 0.2 1 1002 97 97 LEU N N 128.1 0.2 1 1003 98 98 ASP H H 9.14 0.02 1 1004 98 98 ASP HA H 5.20 0.02 1 1005 98 98 ASP HB2 H 2.38 0.02 2 1006 98 98 ASP HB3 H 2.65 0.02 2 1007 98 98 ASP C C 174.3 0.2 1 1008 98 98 ASP CA C 52.1 0.2 1 1009 98 98 ASP CB C 41.1 0.2 1 1010 98 98 ASP N N 128.8 0.2 1 1011 99 99 THR H H 8.67 0.02 1 1012 99 99 THR HA H 5.34 0.02 1 1013 99 99 THR HB H 4.33 0.02 1 1014 99 99 THR HG2 H 1.30 0.02 1 1015 99 99 THR C C 173.5 0.2 1 1016 99 99 THR CA C 60.3 0.2 1 1017 99 99 THR CB C 70.3 0.2 1 1018 99 99 THR CG2 C 22.0 0.2 1 1019 99 99 THR N N 115.3 0.2 1 1020 100 100 MET H H 9.14 0.02 1 1021 100 100 MET HA H 4.82 0.02 1 1022 100 100 MET HB2 H 2.01 0.02 2 1023 100 100 MET HB3 H 2.62 0.02 2 1024 100 100 MET HG2 H 2.23 0.02 2 1025 100 100 MET HG3 H 2.73 0.02 2 1026 100 100 MET HE H 1.91 0.02 1 1027 100 100 MET C C 174.1 0.2 1 1028 100 100 MET CA C 55.5 0.2 1 1029 100 100 MET CB C 35.0 0.2 1 1030 100 100 MET CG C 30.6 0.2 1 1031 100 100 MET CE C 17.4 0.2 1 1032 100 100 MET N N 118.9 0.2 1 1033 101 101 GLN H H 8.83 0.02 1 1034 101 101 GLN HA H 4.33 0.02 1 1035 101 101 GLN HB2 H 1.73 0.02 2 1036 101 101 GLN HB3 H 2.54 0.02 2 1037 101 101 GLN HG2 H 2.05 0.02 2 1038 101 101 GLN HG3 H 2.11 0.02 2 1039 101 101 GLN HE21 H 7.10 0.02 2 1040 101 101 GLN HE22 H 7.42 0.02 2 1041 101 101 GLN C C 175.9 0.2 1 1042 101 101 GLN CA C 57.8 0.2 1 1043 101 101 GLN CB C 29.6 0.2 1 1044 101 101 GLN CG C 35.6 0.2 1 1045 101 101 GLN N N 117.3 0.2 1 1046 101 101 GLN NE2 N 113.5 0.2 1 1047 102 102 THR H H 8.95 0.02 1 1048 102 102 THR HA H 3.82 0.02 1 1049 102 102 THR HB H 3.76 0.02 1 1050 102 102 THR HG1 H 6.00 0.02 1 1051 102 102 THR HG2 H 1.15 0.02 1 1052 102 102 THR C C 174.4 0.2 1 1053 102 102 THR CA C 68.7 0.2 1 1054 102 102 THR CB C 69.2 0.2 1 1055 102 102 THR CG2 C 23.0 0.2 1 1056 102 102 THR N N 119.0 0.2 1 1057 103 103 GLY H H 9.06 0.02 1 1058 103 103 GLY HA2 H 3.59 0.02 2 1059 103 103 GLY HA3 H 4.05 0.02 2 1060 103 103 GLY CA C 48.7 0.2 1 1061 103 103 GLY N N 107.5 0.2 1 1062 104 104 PRO HA H 4.25 0.02 1 1063 104 104 PRO HB2 H 1.81 0.02 2 1064 104 104 PRO HB3 H 2.40 0.02 2 1065 104 104 PRO HD2 H 3.44 0.02 2 1066 104 104 PRO HD3 H 3.56 0.02 2 1067 104 104 PRO C C 178.7 0.2 1 1068 104 104 PRO CA C 64.8 0.2 1 1069 104 104 PRO CB C 31.7 0.2 1 1070 104 104 PRO CG C 27.8 0.2 1 1071 104 104 PRO CD C 50.3 0.2 1 1072 105 105 ALA H H 8.23 0.02 1 1073 105 105 ALA HA H 4.30 0.02 1 1074 105 105 ALA HB H 1.30 0.02 1 1075 105 105 ALA C C 179.0 0.2 1 1076 105 105 ALA CA C 55.7 0.2 1 1077 105 105 ALA CB C 19.8 0.2 1 1078 105 105 ALA N N 122.8 0.2 1 1079 106 106 ILE H H 8.02 0.02 1 1080 106 106 ILE HA H 3.27 0.02 1 1081 106 106 ILE HB H 1.99 0.02 1 1082 106 106 ILE HG12 H 0.79 0.02 2 1083 106 106 ILE HG13 H 1.84 0.02 2 1084 106 106 ILE HG2 H 0.84 0.02 1 1085 106 106 ILE HD1 H 0.89 0.02 1 1086 106 106 ILE C C 176.7 0.2 1 1087 106 106 ILE CA C 65.9 0.2 1 1088 106 106 ILE CB C 38.5 0.2 1 1089 106 106 ILE CG1 C 29.9 0.2 1 1090 106 106 ILE CG2 C 16.9 0.2 1 1091 106 106 ILE CD1 C 15.5 0.2 1 1092 106 106 ILE N N 118.7 0.2 1 1093 107 107 ARG H H 6.95 0.02 1 1094 107 107 ARG HA H 4.03 0.02 1 1095 107 107 ARG HB2 H 1.90 0.02 2 1096 107 107 ARG HB3 H 1.93 0.02 2 1097 107 107 ARG HG2 H 1.61 0.02 2 1098 107 107 ARG HG3 H 1.77 0.02 2 1099 107 107 ARG HD2 H 3.23 0.02 2 1100 107 107 ARG HD3 H 3.25 0.02 2 1101 107 107 ARG C C 178.7 0.2 1 1102 107 107 ARG CA C 59.3 0.2 1 1103 107 107 ARG CB C 29.8 0.2 1 1104 107 107 ARG CG C 27.4 0.2 1 1105 107 107 ARG CD C 43.2 0.2 1 1106 107 107 ARG N N 117.5 0.2 1 1107 108 108 THR H H 8.18 0.02 1 1108 108 108 THR HA H 3.78 0.02 1 1109 108 108 THR HB H 4.16 0.02 1 1110 108 108 THR HG2 H 1.18 0.02 1 1111 108 108 THR C C 175.3 0.2 1 1112 108 108 THR CA C 67.3 0.2 1 1113 108 108 THR CB C 68.7 0.2 1 1114 108 108 THR CG2 C 21.1 0.2 1 1115 108 108 THR N N 115.5 0.2 1 1116 109 109 TYR H H 8.73 0.02 1 1117 109 109 TYR HA H 3.60 0.02 1 1118 109 109 TYR HB2 H 2.56 0.02 2 1119 109 109 TYR HB3 H 2.87 0.02 2 1120 109 109 TYR HD1 H 6.63 0.02 3 1121 109 109 TYR HE1 H 6.15 0.02 3 1122 109 109 TYR C C 175.5 0.2 1 1123 109 109 TYR CA C 62.6 0.2 1 1124 109 109 TYR CB C 37.9 0.2 1 1125 109 109 TYR CD1 C 133.0 0.2 3 1126 109 109 TYR CE1 C 117.0 0.2 3 1127 109 109 TYR N N 124.0 0.2 1 1128 110 110 ASN H H 8.20 0.02 1 1129 110 110 ASN HA H 4.21 0.02 1 1130 110 110 ASN HB2 H 2.77 0.02 2 1131 110 110 ASN HB3 H 2.94 0.02 2 1132 110 110 ASN HD21 H 7.33 0.02 2 1133 110 110 ASN HD22 H 7.48 0.02 2 1134 110 110 ASN C C 180.1 0.2 1 1135 110 110 ASN CA C 55.6 0.2 1 1136 110 110 ASN CB C 37.2 0.2 1 1137 110 110 ASN N N 116.6 0.2 1 1138 110 110 ASN ND2 N 108.3 0.2 1 1139 111 111 ILE H H 8.09 0.02 1 1140 111 111 ILE HA H 3.73 0.02 1 1141 111 111 ILE HB H 1.88 0.02 1 1142 111 111 ILE HG12 H 1.09 0.02 2 1143 111 111 ILE HG13 H 1.73 0.02 2 1144 111 111 ILE HG2 H 0.79 0.02 1 1145 111 111 ILE HD1 H 0.80 0.02 1 1146 111 111 ILE CA C 64.6 0.2 1 1147 111 111 ILE CB C 38.3 0.2 1 1148 111 111 ILE CG1 C 29.2 0.2 1 1149 111 111 ILE CG2 C 16.7 0.2 1 1150 111 111 ILE CD1 C 13.3 0.2 1 1151 111 111 ILE N N 121.6 0.2 1 1152 112 112 MET H H 8.55 0.02 1 1153 112 112 MET HA H 3.91 0.02 1 1154 112 112 MET HG2 H 2.34 0.02 2 1155 112 112 MET HG3 H 2.93 0.02 2 1156 112 112 MET HE H 1.93 0.02 1 1157 112 112 MET CA C 60.6 0.2 1 1158 112 112 MET CB C 30.8 0.2 1 1159 112 112 MET CG C 34.3 0.2 1 1160 112 112 MET CE C 17.6 0.2 1 1161 112 112 MET N N 120.2 0.2 1 1162 113 113 ILE H H 8.57 0.02 1 1163 113 113 ILE HA H 3.85 0.02 1 1164 113 113 ILE HB H 1.70 0.02 1 1165 113 113 ILE HG12 H 0.67 0.02 2 1166 113 113 ILE HG13 H 0.77 0.02 2 1167 113 113 ILE HG2 H 0.77 0.02 1 1168 113 113 ILE HD1 H 0.47 0.02 1 1169 113 113 ILE C C 181.8 0.2 1 1170 113 113 ILE CA C 62.3 0.2 1 1171 113 113 ILE CB C 35.7 0.2 1 1172 113 113 ILE CG1 C 26.1 0.2 1 1173 113 113 ILE CG2 C 17.8 0.2 1 1174 113 113 ILE CD1 C 10.5 0.2 1 1175 113 113 ILE N N 120.4 0.2 1 1176 114 114 GLY H H 7.63 0.02 1 1177 114 114 GLY HA2 H 3.90 0.02 2 1178 114 114 GLY HA3 H 3.93 0.02 2 1179 114 114 GLY C C 175.3 0.2 1 1180 114 114 GLY CA C 47.0 0.2 1 1181 114 114 GLY N N 111.0 0.2 1 1182 115 115 GLU H H 7.37 0.02 1 1183 115 115 GLU HA H 4.26 0.02 1 1184 115 115 GLU HB2 H 2.03 0.02 2 1185 115 115 GLU HB3 H 2.21 0.02 2 1186 115 115 GLU HG2 H 2.26 0.02 2 1187 115 115 GLU HG3 H 2.48 0.02 2 1188 115 115 GLU C C 175.1 0.2 1 1189 115 115 GLU CA C 56.0 0.2 1 1190 115 115 GLU CB C 29.8 0.2 1 1191 115 115 GLU CG C 35.4 0.2 1 1192 115 115 GLU N N 118.5 0.2 1 1193 116 116 ARG H H 8.13 0.02 1 1194 116 116 ARG HA H 3.94 0.02 1 1195 116 116 ARG C C 176.2 0.2 1 1196 116 116 ARG CA C 57.1 0.2 1 1197 116 116 ARG CB C 26.2 0.2 1 1198 116 116 ARG CG C 27.5 0.2 1 1199 116 116 ARG CD C 43.3 0.2 1 1200 116 116 ARG N N 114.3 0.2 1 1201 117 117 ARG H H 7.73 0.02 1 1202 117 117 ARG HA H 4.27 0.02 1 1203 117 117 ARG C C 176.5 0.2 1 1204 117 117 ARG CA C 54.8 0.2 1 1205 117 117 ARG CB C 30.7 0.2 1 1206 117 117 ARG CD C 42.3 0.2 1 1207 117 117 ARG N N 116.5 0.2 1 1208 118 118 ARG H H 9.18 0.02 1 1209 118 118 ARG HA H 4.55 0.02 1 1210 118 118 ARG HG2 H 1.56 0.02 2 1211 118 118 ARG HG3 H 1.69 0.02 2 1212 118 118 ARG HD2 H 3.10 0.02 2 1213 118 118 ARG HD3 H 3.21 0.02 2 1214 118 118 ARG C C 175.3 0.2 1 1215 118 118 ARG CA C 55.5 0.2 1 1216 118 118 ARG CB C 27.4 0.2 1 1217 118 118 ARG CG C 25.7 0.2 1 1218 118 118 ARG CD C 44.0 0.2 1 1219 118 118 ARG N N 122.7 0.2 1 1220 119 119 VAL H H 7.76 0.02 1 1221 119 119 VAL HA H 5.36 0.02 1 1222 119 119 VAL HB H 1.68 0.02 1 1223 119 119 VAL HG1 H 0.72 0.02 1 1224 119 119 VAL HG2 H 0.88 0.02 1 1225 119 119 VAL C C 172.1 0.2 1 1226 119 119 VAL CA C 58.6 0.2 1 1227 119 119 VAL CB C 35.7 0.2 1 1228 119 119 VAL CG1 C 20.2 0.2 1 1229 119 119 VAL CG2 C 22.6 0.2 1 1230 119 119 VAL N N 123.1 0.2 1 1231 120 120 ALA H H 8.47 0.02 1 1232 120 120 ALA HA H 5.18 0.02 1 1233 120 120 ALA HB H 1.30 0.02 1 1234 120 120 ALA C C 175.0 0.2 1 1235 120 120 ALA CA C 49.6 0.2 1 1236 120 120 ALA CB C 24.8 0.2 1 1237 120 120 ALA N N 125.4 0.2 1 1238 121 121 ALA H H 8.96 0.02 1 1239 121 121 ALA HA H 5.65 0.02 1 1240 121 121 ALA HB H 0.73 0.02 1 1241 121 121 ALA C C 173.8 0.2 1 1242 121 121 ALA CA C 49.8 0.2 1 1243 121 121 ALA CB C 21.1 0.2 1 1244 121 121 ALA N N 121.1 0.2 1 1245 122 122 ALA H H 9.01 0.02 1 1246 122 122 ALA HA H 4.37 0.02 1 1247 122 122 ALA HB H 0.15 0.02 1 1248 122 122 ALA C C 174.1 0.2 1 1249 122 122 ALA CA C 50.3 0.2 1 1250 122 122 ALA CB C 19.4 0.2 1 1251 122 122 ALA N N 129.9 0.2 1 1252 123 123 LEU H H 8.93 0.02 1 1253 123 123 LEU HA H 4.80 0.02 1 1254 123 123 LEU HB2 H 1.11 0.02 2 1255 123 123 LEU HB3 H 1.66 0.02 2 1256 123 123 LEU HG H 1.23 0.02 1 1257 123 123 LEU HD1 H 0.15 0.02 1 1258 123 123 LEU HD2 H 0.58 0.02 1 1259 123 123 LEU C C 174.7 0.2 1 1260 123 123 LEU CA C 53.6 0.2 1 1261 123 123 LEU CB C 45.0 0.2 1 1262 123 123 LEU CG C 26.0 0.2 1 1263 123 123 LEU CD1 C 27.6 0.2 1 1264 123 123 LEU CD2 C 25.0 0.2 1 1265 123 123 LEU N N 122.0 0.2 1 1266 124 124 ILE H H 8.38 0.02 1 1267 124 124 ILE HA H 4.41 0.02 1 1268 124 124 ILE HB H 1.54 0.02 1 1269 124 124 ILE HG12 H 0.50 0.02 2 1270 124 124 ILE HG13 H 1.80 0.02 2 1271 124 124 ILE HG2 H 0.61 0.02 1 1272 124 124 ILE HD1 H 0.10 0.02 1 1273 124 124 ILE C C 177.4 0.2 1 1274 124 124 ILE CA C 61.1 0.2 1 1275 124 124 ILE CB C 37.6 0.2 1 1276 124 124 ILE CG1 C 28.7 0.2 1 1277 124 124 ILE CG2 C 16.9 0.2 1 1278 124 124 ILE CD1 C 13.3 0.2 1 1279 124 124 ILE N N 123.4 0.2 1 1280 125 125 ALA H H 8.13 0.02 1 1281 125 125 ALA HA H 4.19 0.02 1 1282 125 125 ALA HB H 1.14 0.02 1 1283 125 125 ALA C C 176.9 0.2 1 1284 125 125 ALA CA C 52.0 0.2 1 1285 125 125 ALA CB C 18.4 0.2 1 1286 125 125 ALA N N 130.9 0.2 1 1287 126 126 VAL H H 8.08 0.02 1 1288 126 126 VAL HA H 4.22 0.02 1 1289 126 126 VAL HB H 1.98 0.02 1 1290 126 126 VAL HG1 H 0.99 0.02 2 1291 126 126 VAL HG2 H 0.81 0.02 2 1292 126 126 VAL CA C 60.3 0.2 1 1293 126 126 VAL CB C 32.5 0.2 1 1294 126 126 VAL CG1 C 21.0 0.2 1 1295 126 126 VAL N N 122.7 0.2 1 1296 127 127 PRO HD2 H 3.63 0.02 2 1297 127 127 PRO HD3 H 4.04 0.02 2 1298 127 127 PRO C C 176.9 0.2 1 1299 127 127 PRO CA C 62.9 0.2 1 1300 127 127 PRO CB C 32.3 0.2 1 1301 127 127 PRO CG C 27.3 0.2 1 1302 127 127 PRO CD C 51.3 0.2 1 1303 128 128 LEU H H 8.33 0.02 1 1304 128 128 LEU HA H 4.17 0.02 1 1305 128 128 LEU HB2 H 1.39 0.02 2 1306 128 128 LEU HB3 H 1.43 0.02 2 1307 128 128 LEU HG H 1.47 0.02 1 1308 128 128 LEU HD1 H 0.82 0.02 1 1309 128 128 LEU HD2 H 0.78 0.02 1 1310 128 128 LEU C C 176.9 0.2 1 1311 128 128 LEU CA C 55.4 0.2 1 1312 128 128 LEU CB C 42.4 0.2 1 1313 128 128 LEU CG C 26.9 0.2 1 1314 128 128 LEU CD1 C 24.7 0.2 1 1315 128 128 LEU CD2 C 23.9 0.2 1 1316 128 128 LEU N N 121.9 0.2 1 1317 129 129 GLU H H 8.42 0.02 1 1318 129 129 GLU CA C 56.1 0.2 1 1319 129 129 GLU CB C 30.5 0.2 1 1320 129 129 GLU N N 124.1 0.2 1 stop_ save_