data_7121 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Solution Structure of UPF0301 protein HD_1794 ; _BMRB_accession_number 7121 _BMRB_flat_file_name bmr7121.str _Entry_type original _Submission_date 2006-05-18 _Accession_date 2006-06-02 _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 Zhang Q. . . 2 Liu G. . . 3 Shastry R. . . 4 Jiang M. . . 5 Cunningham K. . . 6 Ma L. C. . 7 Xiao R. . . 8 Acton T. R. . 9 Montelione G. T. . 10 Szyperski T. . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 948 "13C chemical shifts" 564 "15N chemical shifts" 156 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2007-11-21 original author . stop_ _Original_release_date 2007-11-21 save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title 'Solution Structure of UPF0301 protein HD_1794' _Citation_status submitted _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID ? loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Zhang Q. . . 2 Liu G. . . 3 Shastry R. . . 4 Jiang M. . . 5 Cunningham K. . . 6 Ma L. C. . 7 Xiao R. . . 8 Acton T. R. . 9 Montelione G. T. . 10 Szyperski T. . . 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 . loop_ _Keyword 'GFT NMR' HdR14 NESG 'Northeast Structural Genomics Consortium' 'Protein Structure Initiative' PSI 'STRUCTRAL GENOMICS' 'Structural Genomics' stop_ save_ ################################## # Molecular system description # ################################## save_system_UPF0301 _Saveframe_category molecular_system _Mol_system_name 'UPF0301 protein HD_1794' _Abbreviation_common 'UPF0301 protein HD_1794' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label 'UPF0301 protein HD_1794' $UPF0301 stop_ _System_molecular_weight . _System_oligomer_state monomer _System_paramagnetic no _System_thiol_state 'all free' _Database_query_date . _Details . save_ ######################## # Monomeric polymers # ######################## save_UPF0301 _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common 'UPF0301 protein HD_1794' _Abbreviation_common 'UPF0301 protein HD_1794' _Molecular_mass . _Mol_thiol_state 'all free' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 188 _Mol_residue_sequence ; MFGNLQGKFIIATPEMDDEY FDRTVIYICEHNDNGTIGVI INTPTDLSVLELLTRMDFQM AKPRIYTQDQMVLNGGPVNQ DRGFIVHSKTDHEFTHSYKV TDDITLTTSGDVLDSFGTQT APEKFIVCLGCSTWKPHQLE QEIAQNYWLLSEANNQTLFE TSYLDRWVEANEMLGISGIL APAGRALE ; loop_ _Residue_seq_code _Residue_author_seq_code _Residue_label 1 1 MET 2 2 PHE 3 3 GLY 4 4 ASN 5 5 LEU 6 6 GLN 7 7 GLY 8 8 LYS 9 9 PHE 10 10 ILE 11 11 ILE 12 12 ALA 13 13 THR 14 14 PRO 15 15 GLU 16 16 MET 17 17 ASP 18 18 ASP 19 19 GLU 20 20 TYR 21 21 PHE 22 22 ASP 23 23 ARG 24 24 THR 25 25 VAL 26 26 ILE 27 27 TYR 28 28 ILE 29 29 CYS 30 30 GLU 31 31 HIS 32 32 ASN 33 33 ASP 34 34 ASN 35 35 GLY 36 36 THR 37 37 ILE 38 38 GLY 39 39 VAL 40 40 ILE 41 41 ILE 42 42 ASN 43 43 THR 44 44 PRO 45 45 THR 46 46 ASP 47 47 LEU 48 48 SER 49 49 VAL 50 50 LEU 51 51 GLU 52 52 LEU 53 53 LEU 54 54 THR 55 55 ARG 56 56 MET 57 57 ASP 58 58 PHE 59 59 GLN 60 60 MET 61 61 ALA 62 62 LYS 63 63 PRO 64 64 ARG 65 65 ILE 66 66 TYR 67 67 THR 68 68 GLN 69 69 ASP 70 70 GLN 71 71 MET 72 72 VAL 73 73 LEU 74 74 ASN 75 75 GLY 76 76 GLY 77 77 PRO 78 78 VAL 79 79 ASN 80 80 GLN 81 81 ASP 82 82 ARG 83 83 GLY 84 84 PHE 85 85 ILE 86 86 VAL 87 87 HIS 88 88 SER 89 89 LYS 90 90 THR 91 91 ASP 92 92 HIS 93 93 GLU 94 94 PHE 95 95 THR 96 96 HIS 97 97 SER 98 98 TYR 99 99 LYS 100 100 VAL 101 101 THR 102 102 ASP 103 103 ASP 104 104 ILE 105 105 THR 106 106 LEU 107 107 THR 108 108 THR 109 109 SER 110 110 GLY 111 111 ASP 112 112 VAL 113 113 LEU 114 114 ASP 115 115 SER 116 116 PHE 117 117 GLY 118 118 THR 119 119 GLN 120 120 THR 121 121 ALA 122 122 PRO 123 123 GLU 124 124 LYS 125 125 PHE 126 126 ILE 127 127 VAL 128 128 CYS 129 129 LEU 130 130 GLY 131 131 CYS 132 132 SER 133 133 THR 134 134 TRP 135 135 LYS 136 136 PRO 137 137 HIS 138 138 GLN 139 139 LEU 140 140 GLU 141 141 GLN 142 142 GLU 143 143 ILE 144 144 ALA 145 145 GLN 146 146 ASN 147 147 TYR 148 148 TRP 149 149 LEU 150 150 LEU 151 151 SER 152 152 GLU 153 153 ALA 154 154 ASN 155 155 ASN 156 156 GLN 157 157 THR 158 158 LEU 159 159 PHE 160 160 GLU 161 161 THR 162 162 SER 163 163 TYR 164 164 LEU 165 165 ASP 166 166 ARG 167 167 TRP 168 168 VAL 169 169 GLU 170 170 ALA 171 171 ASN 172 172 GLU 173 173 MET 174 174 LEU 175 175 GLY 176 176 ILE 177 177 SER 178 178 GLY 179 179 ILE 180 180 LEU 181 181 ALA 182 182 PRO 183 183 ALA 184 184 GLY 185 185 ARG 186 186 ALA 187 187 LEU 188 188 GLU stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2014-11-15 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 2DO8 "Solution Structure Of Upf0301 Protein Hd_1794" 100.00 188 100.00 100.00 1.01e-137 GB AAP96545 "conserved hypothetical protein [Haemophilus ducreyi 35000HP]" 98.94 186 100.00 100.00 3.25e-136 REF NP_874156 "hypothetical protein HD1794 [Haemophilus ducreyi 35000HP]" 98.94 186 100.00 100.00 3.25e-136 REF WP_010945574 "hypothetical protein [Haemophilus ducreyi]" 98.94 186 100.00 100.00 3.25e-136 SP Q7VKS7 "RecName: Full=UPF0301 protein HD_1794 [Haemophilus ducreyi 35000HP]" 98.94 186 100.00 100.00 3.25e-136 stop_ save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species $UPF0301 'Haemophilus ducreyi' 730 Eubacteria . Haemophilus ducreyi 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 $UPF0301 'recombinant technology' 'E. coli' Escherichia coli . . 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 $UPF0301 . mM . MES 50 mM . DTT 10 mM . Arginine 50 mM . NaN3 0.02 % . H2O 95 % . D2O 5 % . stop_ save_ ############################ # Computer software used # ############################ save_DYANA _Saveframe_category software _Name DYANA _Version 1.5 loop_ _Task 'structure solution' stop_ _Details 'Guntert, P.' save_ save_CYANA _Saveframe_category software _Name CYANA _Version 2.1 loop_ _Task 'structure solution' stop_ _Details 'Guntert, P.' save_ save_NMRPipe _Saveframe_category software _Name NMRPipe _Version 2.3 loop_ _Task processing stop_ _Details 'Delaglio, F.' save_ save_CNS _Saveframe_category software _Name CNS _Version 1.1 loop_ _Task refinement stop_ _Details . save_ save_Xeasy _Saveframe_category software _Name XEASY _Version 1.3 loop_ _Task 'data analysis' stop_ _Details 'Bartels, C., Xia, T.' save_ save_UBNMR _Saveframe_category software _Name UBNMR _Version 1.0 loop_ _Task 'data analysis' stop_ _Details 'Shen, Y.' save_ save_Autostructure _Saveframe_category software _Name AutoStruct _Version 2.0.0 loop_ _Task 'data analysis' stop_ _Details 'Huang, Y.J.' save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer _Saveframe_category NMR_spectrometer _Manufacturer Varian _Model INOVA _Field_strength 750 _Details . save_ ############################# # NMR applied experiments # ############################# save_GFT_(4,3)D_HNNCABCA_1 _Saveframe_category NMR_applied_experiment _Experiment_name 'GFT (4,3)D HNNCABCA' _Sample_label $sample_1 save_ save_GFT_(4,3)D_CABCA(CO)NHN_2 _Saveframe_category NMR_applied_experiment _Experiment_name 'GFT (4,3)D CABCA(CO)NHN' _Sample_label $sample_1 save_ save_GFT_(4,3)D_HABCAB(CO)NHN_3 _Saveframe_category NMR_applied_experiment _Experiment_name 'GFT (4,3)D HABCAB(CO)NHN' _Sample_label $sample_1 save_ save_GFT_(4,3)D_HCCH_4 _Saveframe_category NMR_applied_experiment _Experiment_name 'GFT (4,3)D HCCH' _Sample_label $sample_1 save_ save_SIMULTANEOUS_HETERONUCLEAR_RESOLVED_[1H,1H]-NOESY_5 _Saveframe_category NMR_applied_experiment _Experiment_name 'SIMULTANEOUS HETERONUCLEAR RESOLVED [1H,1H]-NOESY' _Sample_label $sample_1 save_ ####################### # Sample conditions # ####################### save_sample_cond_1 _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units pH 6.0 . n/a pressure 1 . atm temperature 298 . K stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference _Saveframe_category chemical_shift_reference _Details . loop_ _Mol_common_name _Atom_type _Atom_isotope_number _Atom_group _Chem_shift_units _Chem_shift_value _Reference_method _Reference_type _External_reference_sample_geometry _External_reference_location _External_reference_axis _Indirect_shift_ratio_citation_label _Correction_value_citation_label . C 13 . ppm . . . . . . $entry_citation $entry_citation . H 1 . ppm . . . . . . $entry_citation $entry_citation . N 15 . ppm . . . . . . $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_chemical_shift_set_1 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Sample_label $sample_1 stop_ _Sample_conditions_label $sample_cond_1 _Chem_shift_reference_set_label $chemical_shift_reference _Mol_system_component_name 'UPF0301 protein HD_1794' _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 2 2 PHE CA C 57.3 . 1 2 2 2 PHE HA H 4.60 . 1 3 2 2 PHE CB C 40.1 . 1 4 2 2 PHE HB2 H 2.73 . 2 5 2 2 PHE HB3 H 3.15 . 2 6 2 2 PHE HD1 H 7.09 . 1 7 2 2 PHE HD2 H 7.09 . 1 8 2 2 PHE HE1 H 7.35 . 1 9 2 2 PHE HE2 H 7.35 . 1 10 2 2 PHE CD1 C 131.1 . 1 11 2 2 PHE CE1 C 131.3 . 1 12 2 2 PHE CZ C 128.5 . 1 13 2 2 PHE HZ H 6.76 . 1 14 3 3 GLY N N 109.2 . 1 15 3 3 GLY H H 8.40 . 1 16 3 3 GLY CA C 45.0 . 1 17 3 3 GLY HA2 H 3.28 . 2 18 3 3 GLY HA3 H 3.72 . 2 19 5 5 LEU CA C 54.2 . 1 20 5 5 LEU HA H 3.92 . 1 21 5 5 LEU CB C 42.1 . 1 22 5 5 LEU HB2 H 0.48 . 2 23 5 5 LEU HB3 H 0.93 . 2 24 5 5 LEU CG C 26.5 . 1 25 5 5 LEU HG H 1.05 . 1 26 5 5 LEU HD1 H 0.04 . 2 27 5 5 LEU HD2 H 0.33 . 2 28 5 5 LEU CD1 C 24.8 . 1 29 5 5 LEU CD2 C 23.4 . 1 30 6 6 GLN N N 116.3 . 1 31 6 6 GLN H H 8.02 . 1 32 6 6 GLN CA C 58.7 . 1 33 6 6 GLN HA H 3.32 . 1 34 6 6 GLN CB C 28.3 . 1 35 6 6 GLN HB2 H 2.15 . 1 36 6 6 GLN HB3 H 2.15 . 1 37 6 6 GLN CG C 36.2 . 1 38 6 6 GLN HG2 H 2.24 . 2 39 6 6 GLN HG3 H 2.45 . 2 40 7 7 GLY N N 111.8 . 1 41 7 7 GLY H H 8.83 . 1 42 7 7 GLY CA C 45.0 . 1 43 7 7 GLY HA2 H 3.32 . 2 44 7 7 GLY HA3 H 3.77 . 2 45 8 8 LYS N N 117.2 . 1 46 8 8 LYS H H 7.02 . 1 47 8 8 LYS CA C 54.6 . 1 48 8 8 LYS HA H 4.46 . 1 49 8 8 LYS CB C 32.8 . 1 50 8 8 LYS HB2 H 1.55 . 2 51 8 8 LYS HB3 H 1.98 . 2 52 8 8 LYS CG C 26.5 . 1 53 8 8 LYS HG2 H 1.06 . 1 54 8 8 LYS HG3 H 1.06 . 1 55 8 8 LYS CD C 28.4 . 1 56 8 8 LYS HD2 H 1.28 . 2 57 8 8 LYS HD3 H 1.38 . 2 58 8 8 LYS CE C 42.5 . 1 59 8 8 LYS HE2 H 2.83 . 2 60 8 8 LYS HE3 H 2.90 . 2 61 9 9 PHE N N 113.6 . 1 62 9 9 PHE H H 8.40 . 1 63 9 9 PHE CA C 52.0 . 1 64 9 9 PHE HA H 6.13 . 1 65 9 9 PHE CB C 41.0 . 1 66 9 9 PHE HB2 H 2.85 . 1 67 9 9 PHE HB3 H 2.85 . 1 68 9 9 PHE HD1 H 7.28 . 1 69 9 9 PHE HD2 H 7.28 . 1 70 9 9 PHE HE1 H 6.81 . 1 71 9 9 PHE HE2 H 6.81 . 1 72 9 9 PHE CD1 C 130.4 . 1 73 9 9 PHE CE1 C 131.8 . 1 74 9 9 PHE CZ C 128.5 . 1 75 9 9 PHE HZ H 6.39 . 1 76 10 10 ILE N N 111.1 . 1 77 10 10 ILE H H 8.68 . 1 78 10 10 ILE CA C 59.6 . 1 79 10 10 ILE HA H 5.32 . 1 80 10 10 ILE CB C 38.8 . 1 81 10 10 ILE HB H 1.34 . 1 82 10 10 ILE HG2 H 0.26 . 1 83 10 10 ILE CG2 C 17.9 . 1 84 10 10 ILE CG1 C 26.1 . 1 85 10 10 ILE HG12 H 0.38 . 2 86 10 10 ILE HG13 H 1.00 . 2 87 10 10 ILE HD1 H -1.09 . 1 88 10 10 ILE CD1 C 12.6 . 1 89 11 11 ILE N N 123.5 . 1 90 11 11 ILE H H 9.11 . 1 91 11 11 ILE CA C 60.7 . 1 92 11 11 ILE HA H 4.80 . 1 93 11 11 ILE CB C 42.2 . 1 94 11 11 ILE HB H 1.75 . 1 95 11 11 ILE HG2 H 0.81 . 1 96 11 11 ILE CG2 C 18.0 . 1 97 11 11 ILE CG1 C 26.9 . 1 98 11 11 ILE HG12 H 1.48 . 1 99 11 11 ILE HG13 H 1.48 . 1 100 11 11 ILE HD1 H 0.69 . 1 101 11 11 ILE CD1 C 15.7 . 1 102 19 19 GLU CA C 58.7 . 1 103 19 19 GLU HA H 3.76 . 1 104 19 19 GLU CB C 30.2 . 1 105 19 19 GLU HB2 H 1.94 . 1 106 19 19 GLU HB3 H 1.94 . 1 107 19 19 GLU CG C 36.0 . 1 108 19 19 GLU HG2 H 2.15 . 1 109 19 19 GLU HG3 H 2.15 . 1 110 20 20 TYR N N 120.0 . 1 111 20 20 TYR H H 8.36 . 1 112 20 20 TYR CA C 60.8 . 1 113 20 20 TYR HA H 3.74 . 1 114 20 20 TYR CB C 38.6 . 1 115 20 20 TYR HB2 H 2.26 . 2 116 20 20 TYR HB3 H 2.65 . 2 117 20 20 TYR HD1 H 6.22 . 1 118 20 20 TYR HD2 H 6.22 . 1 119 20 20 TYR HE1 H 6.39 . 1 120 20 20 TYR HE2 H 6.39 . 1 121 20 20 TYR CD1 C 132.8 . 1 122 20 20 TYR CE1 C 117.3 . 1 123 21 21 PHE N N 111.2 . 1 124 21 21 PHE H H 7.48 . 1 125 21 21 PHE CA C 57.3 . 1 126 21 21 PHE HA H 4.76 . 1 127 21 21 PHE CB C 39.9 . 1 128 21 21 PHE HB2 H 2.83 . 2 129 21 21 PHE HB3 H 3.72 . 2 130 21 21 PHE HD1 H 6.39 . 1 131 21 21 PHE HD2 H 6.39 . 1 132 21 21 PHE HE1 H 6.79 . 1 133 21 21 PHE HE2 H 6.79 . 1 134 21 21 PHE CD1 C 117.7 . 1 135 21 21 PHE CE1 C 132.1 . 1 136 21 21 PHE CZ C 128.6 . 1 137 21 21 PHE HZ H 7.03 . 1 138 22 22 ASP N N 123.0 . 1 139 22 22 ASP H H 7.31 . 1 140 22 22 ASP CA C 55.6 . 1 141 22 22 ASP HA H 4.06 . 1 142 22 22 ASP CB C 41.5 . 1 143 22 22 ASP HB2 H 2.29 . 2 144 22 22 ASP HB3 H 2.58 . 2 145 23 23 ARG N N 118.2 . 1 146 23 23 ARG H H 8.81 . 1 147 23 23 ARG CA C 56.4 . 1 148 23 23 ARG HA H 2.09 . 1 149 23 23 ARG CB C 26.9 . 1 150 23 23 ARG HB2 H 1.65 . 1 151 23 23 ARG HB3 H 1.65 . 1 152 23 23 ARG CG C 26.9 . 1 153 23 23 ARG HG2 H 1.98 . 1 154 23 23 ARG HG3 H 1.98 . 1 155 23 23 ARG CD C 43.9 . 1 156 23 23 ARG HD2 H 3.02 . 1 157 23 23 ARG HD3 H 3.02 . 1 158 24 24 THR N N 106.2 . 1 159 24 24 THR H H 7.25 . 1 160 24 24 THR CA C 61.2 . 1 161 24 24 THR HA H 4.96 . 1 162 24 24 THR CB C 44.5 . 1 163 24 24 THR HB H 4.31 . 1 164 24 24 THR HG2 H 1.23 . 1 165 24 24 THR CG2 C 23.4 . 1 166 25 25 VAL N N 103.8 . 1 167 25 25 VAL H H 7.57 . 1 168 25 25 VAL CA C 56.6 . 1 169 25 25 VAL HA H 4.29 . 1 170 25 25 VAL CB C 30.0 . 1 171 25 25 VAL HB H 2.10 . 1 172 25 25 VAL HG1 H 1.38 . 2 173 25 25 VAL HG2 H 0.86 . 2 174 25 25 VAL CG1 C 19.3 . 1 175 25 25 VAL CG2 C 20.9 . 1 176 26 26 ILE CA C 59.1 . 1 177 26 26 ILE HA H 5.00 . 1 178 26 26 ILE CB C 39.1 . 1 179 26 26 ILE HB H 2.06 . 1 180 26 26 ILE HG2 H 0.91 . 1 181 26 26 ILE CG2 C 19.1 . 1 182 26 26 ILE CG1 C 24.4 . 1 183 26 26 ILE HG12 H 0.97 . 1 184 26 26 ILE HG13 H 0.97 . 1 185 26 26 ILE HD1 H 0.50 . 1 186 26 26 ILE CD1 C 16.1 . 1 187 27 27 TYR N N 127.1 . 1 188 27 27 TYR H H 8.96 . 1 189 27 27 TYR CA C 56.3 . 1 190 27 27 TYR HA H 5.27 . 1 191 27 27 TYR CB C 41.4 . 1 192 27 27 TYR HB2 H 2.86 . 1 193 27 27 TYR HB3 H 2.86 . 1 194 27 27 TYR HD1 H 6.80 . 1 195 27 27 TYR HD2 H 6.80 . 1 196 27 27 TYR HE1 H 6.40 . 1 197 27 27 TYR HE2 H 6.40 . 1 198 27 27 TYR CD1 C 132.2 . 1 199 27 27 TYR CE1 C 117.6 . 1 200 28 28 ILE N N 128.2 . 1 201 28 28 ILE H H 8.29 . 1 202 28 28 ILE CA C 60.2 . 1 203 28 28 ILE HA H 3.80 . 1 204 28 28 ILE CB C 34.1 . 1 205 28 28 ILE HB H 2.12 . 1 206 28 28 ILE HG2 H 0.32 . 1 207 28 28 ILE CG2 C 18.0 . 1 208 28 28 ILE CG1 C 25.3 . 1 209 28 28 ILE HG12 H 1.05 . 2 210 28 28 ILE HG13 H 0.71 . 2 211 28 28 ILE HD1 H 0.02 . 1 212 28 28 ILE CD1 C 9.4 . 1 213 29 29 CYS N N 125.6 . 1 214 29 29 CYS H H 8.84 . 1 215 29 29 CYS CA C 60.1 . 1 216 29 29 CYS HA H 4.57 . 1 217 29 29 CYS CB C 30.1 . 1 218 29 29 CYS HB2 H 2.68 . 1 219 29 29 CYS HB3 H 2.68 . 1 220 30 30 GLU N N 115.7 . 1 221 30 30 GLU H H 7.89 . 1 222 30 30 GLU CA C 55.2 . 1 223 30 30 GLU HA H 4.57 . 1 224 30 30 GLU CB C 32.8 . 1 225 30 30 GLU HB2 H 1.55 . 1 226 30 30 GLU HB3 H 1.55 . 1 227 30 30 GLU CG C 33.0 . 1 228 30 30 GLU HG2 H 1.68 . 1 229 30 30 GLU HG3 H 1.68 . 1 230 31 31 HIS N N 126.0 . 1 231 31 31 HIS H H 8.78 . 1 232 31 31 HIS CA C 56.5 . 1 233 31 31 HIS HA H 5.01 . 1 234 31 31 HIS CB C 33.8 . 1 235 31 31 HIS HB2 H 2.48 . 2 236 31 31 HIS HB3 H 3.17 . 2 237 31 31 HIS CD2 C 119.7 . 1 238 31 31 HIS CE1 C 132.8 . 1 239 31 31 HIS HD2 H 6.96 . 1 240 31 31 HIS HE1 H 7.22 . 1 241 32 32 ASN N N 122.2 . 1 242 32 32 ASN H H 8.35 . 1 243 32 32 ASN CA C 52.5 . 1 244 32 32 ASN HA H 4.64 . 1 245 32 32 ASN CB C 39.0 . 1 246 32 32 ASN HB2 H 2.78 . 1 247 32 32 ASN HB3 H 2.78 . 1 248 33 33 ASP CA C 56.0 . 1 249 33 33 ASP HA H 4.20 . 1 250 33 33 ASP CB C 40.1 . 1 251 33 33 ASP HB2 H 2.54 . 2 252 33 33 ASP HB3 H 2.65 . 2 253 34 34 ASN N N 114.4 . 1 254 34 34 ASN H H 8.54 . 1 255 34 34 ASN CA C 53.6 . 1 256 34 34 ASN HA H 4.73 . 1 257 34 34 ASN CB C 40.8 . 1 258 34 34 ASN HB2 H 2.79 . 1 259 34 34 ASN HB3 H 2.79 . 1 260 35 35 GLY N N 107.8 . 1 261 35 35 GLY H H 7.71 . 1 262 35 35 GLY CA C 44.0 . 1 263 35 35 GLY HA2 H 4.65 . 2 264 35 35 GLY HA3 H 3.44 . 2 265 36 36 THR N N 116.6 . 1 266 36 36 THR H H 8.48 . 1 267 36 36 THR CA C 60.9 . 1 268 36 36 THR HA H 5.46 . 1 269 36 36 THR CB C 70.8 . 1 270 36 36 THR HB H 4.11 . 1 271 36 36 THR HG2 H 1.12 . 1 272 36 36 THR CG2 C 23.4 . 1 273 37 37 ILE N N 125.5 . 1 274 37 37 ILE H H 9.34 . 1 275 37 37 ILE CA C 60.0 . 1 276 37 37 ILE HA H 5.11 . 1 277 37 37 ILE CB C 41.7 . 1 278 37 37 ILE HB H 1.54 . 1 279 37 37 ILE HG2 H 0.70 . 1 280 37 37 ILE CG2 C 16.5 . 1 281 37 37 ILE CG1 C 27.0 . 1 282 37 37 ILE HG12 H 1.49 . 2 283 37 37 ILE HG13 H 0.97 . 2 284 37 37 ILE HD1 H 0.67 . 1 285 37 37 ILE CD1 C 13.0 . 1 286 38 38 GLY N N 115.1 . 1 287 38 38 GLY H H 9.67 . 1 288 38 38 GLY CA C 45.0 . 1 289 38 38 GLY HA2 H 5.12 . 2 290 38 38 GLY HA3 H 3.67 . 2 291 39 39 VAL N N 110.4 . 1 292 39 39 VAL H H 8.53 . 1 293 39 39 VAL CA C 58.0 . 1 294 39 39 VAL HA H 5.21 . 1 295 39 39 VAL CB C 34.2 . 1 296 39 39 VAL HB H 2.49 . 1 297 39 39 VAL HG1 H 0.85 . 2 298 39 39 VAL HG2 H 1.04 . 2 299 39 39 VAL CG1 C 21.9 . 1 300 39 39 VAL CG2 C 18.3 . 1 301 40 40 ILE N N 127.1 . 1 302 40 40 ILE H H 9.23 . 1 303 40 40 ILE CA C 59.3 . 1 304 40 40 ILE HA H 4.97 . 1 305 40 40 ILE CB C 39.0 . 1 306 40 40 ILE HB H 1.58 . 1 307 40 40 ILE HG2 H 0.60 . 1 308 40 40 ILE CG2 C 16.7 . 1 309 40 40 ILE CG1 C 28.9 . 1 310 40 40 ILE HG12 H 1.67 . 1 311 40 40 ILE HG13 H 1.67 . 1 312 40 40 ILE HD1 H 1.00 . 1 313 40 40 ILE CD1 C 15.2 . 1 314 41 41 ILE N N 114.8 . 1 315 41 41 ILE H H 8.72 . 1 316 41 41 ILE CA C 60.8 . 1 317 41 41 ILE HA H 4.78 . 1 318 41 41 ILE CB C 45.4 . 1 319 41 41 ILE HB H 2.05 . 1 320 41 41 ILE HG2 H 0.92 . 1 321 41 41 ILE CG2 C 19.1 . 1 322 41 41 ILE CG1 C 23.8 . 1 323 41 41 ILE HG12 H 1.42 . 1 324 41 41 ILE HG13 H 1.42 . 1 325 41 41 ILE HD1 H 0.50 . 1 326 41 41 ILE CD1 C 16.1 . 1 327 42 42 ASN N N 118.8 . 1 328 42 42 ASN H H 8.45 . 1 329 42 42 ASN CA C 52.2 . 1 330 42 42 ASN HA H 5.13 . 1 331 42 42 ASN CB C 41.7 . 1 332 42 42 ASN HB2 H 2.10 . 2 333 42 42 ASN HB3 H 3.85 . 2 334 43 43 THR N N 114.8 . 1 335 43 43 THR H H 9.50 . 1 336 43 43 THR CA C 57.4 . 1 337 43 43 THR HA H 4.78 . 1 338 43 43 THR CB C 69.5 . 1 339 43 43 THR HB H 4.15 . 1 340 43 43 THR HG2 H 1.04 . 1 341 43 43 THR CG2 C 20.6 . 1 342 44 44 PRO CD C 50.2 . 1 343 44 44 PRO CA C 63.0 . 1 344 44 44 PRO HA H 4.36 . 1 345 44 44 PRO CB C 32.3 . 1 346 44 44 PRO HB2 H 1.56 . 2 347 44 44 PRO HB3 H 2.08 . 2 348 44 44 PRO CG C 27.3 . 1 349 44 44 PRO HG2 H 1.96 . 2 350 44 44 PRO HG3 H 2.00 . 2 351 44 44 PRO HD2 H 3.58 . 2 352 44 44 PRO HD3 H 3.74 . 2 353 45 45 THR N N 111.7 . 1 354 45 45 THR H H 8.22 . 1 355 45 45 THR CA C 61.2 . 1 356 45 45 THR HA H 4.75 . 1 357 45 45 THR CB C 70.6 . 1 358 45 45 THR HB H 4.49 . 1 359 45 45 THR HG2 H 1.20 . 1 360 45 45 THR CG2 C 21.0 . 1 361 46 46 ASP N N 114.9 . 1 362 46 46 ASP H H 8.18 . 1 363 46 46 ASP CA C 53.6 . 1 364 46 46 ASP HA H 4.62 . 1 365 46 46 ASP CB C 40.4 . 1 366 46 46 ASP HB2 H 2.72 . 1 367 46 46 ASP HB3 H 2.72 . 1 368 47 47 LEU N N 124.0 . 1 369 47 47 LEU H H 8.42 . 1 370 47 47 LEU CA C 54.1 . 1 371 47 47 LEU HA H 4.55 . 1 372 47 47 LEU CB C 44.2 . 1 373 47 47 LEU HB2 H 1.36 . 2 374 47 47 LEU HB3 H 1.75 . 2 375 47 47 LEU CG C 26.2 . 1 376 47 47 LEU HG H 1.66 . 1 377 47 47 LEU HD1 H 0.83 . 2 378 47 47 LEU HD2 H 0.79 . 2 379 47 47 LEU CD1 C 24.7 . 1 380 47 47 LEU CD2 C 26.1 . 1 381 48 48 SER N N 122.1 . 1 382 48 48 SER H H 8.80 . 1 383 48 48 SER CA C 57.1 . 1 384 48 48 SER HA H 5.23 . 1 385 48 48 SER CB C 65.4 . 1 386 48 48 SER HB2 H 3.99 . 2 387 48 48 SER HB3 H 4.57 . 2 388 49 49 VAL N N 122.1 . 1 389 49 49 VAL H H 8.81 . 1 390 49 49 VAL CA C 67.2 . 1 391 49 49 VAL HA H 3.46 . 1 392 49 49 VAL CB C 31.2 . 1 393 49 49 VAL HB H 2.17 . 1 394 49 49 VAL HG1 H 0.87 . 2 395 49 49 VAL HG2 H 0.96 . 2 396 49 49 VAL CG1 C 21.7 . 1 397 49 49 VAL CG2 C 24.4 . 1 398 50 50 LEU N N 119.0 . 1 399 50 50 LEU H H 8.71 . 1 400 50 50 LEU CA C 58.5 . 1 401 50 50 LEU HA H 4.00 . 1 402 50 50 LEU CB C 41.3 . 1 403 50 50 LEU HB2 H 1.71 . 1 404 50 50 LEU HB3 H 1.71 . 1 405 50 50 LEU CG C 27.0 . 1 406 50 50 LEU HG H 1.61 . 1 407 50 50 LEU HD1 H 0.90 . 2 408 50 50 LEU HD2 H 0.95 . 2 409 50 50 LEU CD1 C 24.9 . 1 410 50 50 LEU CD2 C 24.1 . 1 411 51 51 GLU N N 120.8 . 1 412 51 51 GLU H H 8.11 . 1 413 51 51 GLU CA C 59.3 . 1 414 51 51 GLU HA H 3.96 . 1 415 51 51 GLU CB C 29.4 . 1 416 51 51 GLU HB2 H 2.01 . 2 417 51 51 GLU HB3 H 2.27 . 2 418 51 51 GLU CG C 36.3 . 1 419 51 51 GLU HG2 H 2.16 . 1 420 51 51 GLU HG3 H 2.16 . 1 421 52 52 LEU N N 122.0 . 1 422 52 52 LEU H H 8.20 . 1 423 52 52 LEU CA C 58.3 . 1 424 52 52 LEU HA H 3.96 . 1 425 52 52 LEU CB C 41.3 . 1 426 52 52 LEU HB2 H 1.46 . 2 427 52 52 LEU HB3 H 2.18 . 2 428 52 52 LEU CG C 27.0 . 1 429 52 52 LEU HG H 1.56 . 1 430 52 52 LEU HD1 H 0.82 . 2 431 52 52 LEU HD2 H 0.91 . 2 432 52 52 LEU CD1 C 26.1 . 1 433 52 52 LEU CD2 C 23.7 . 1 434 53 53 LEU N N 116.9 . 1 435 53 53 LEU H H 8.43 . 1 436 53 53 LEU CA C 57.6 . 1 437 53 53 LEU HA H 3.95 . 1 438 53 53 LEU CB C 41.0 . 1 439 53 53 LEU HB2 H 1.46 . 2 440 53 53 LEU HB3 H 1.95 . 2 441 53 53 LEU CG C 26.6 . 1 442 53 53 LEU HG H 1.96 . 1 443 53 53 LEU HD1 H 0.77 . 2 444 53 53 LEU HD2 H 0.73 . 2 445 53 53 LEU CD1 C 25.8 . 1 446 53 53 LEU CD2 C 23.0 . 1 447 54 54 THR N N 113.8 . 1 448 54 54 THR H H 8.09 . 1 449 54 54 THR CA C 65.6 . 1 450 54 54 THR HA H 4.07 . 1 451 54 54 THR CB C 68.7 . 1 452 54 54 THR HB H 4.34 . 1 453 54 54 THR HG2 H 1.29 . 1 454 54 54 THR CG2 C 21.0 . 1 455 55 55 ARG N N 121.4 . 1 456 55 55 ARG H H 8.00 . 1 457 55 55 ARG CA C 58.0 . 1 458 55 55 ARG HA H 4.15 . 1 459 55 55 ARG CB C 30.3 . 1 460 55 55 ARG HB2 H 1.88 . 2 461 55 55 ARG HB3 H 1.97 . 2 462 55 55 ARG CG C 26.9 . 1 463 55 55 ARG HG2 H 1.75 . 1 464 55 55 ARG HG3 H 1.75 . 1 465 55 55 ARG CD C 43.2 . 1 466 55 55 ARG HD2 H 2.98 . 2 467 55 55 ARG HD3 H 3.16 . 2 468 56 56 MET N N 117.4 . 1 469 56 56 MET H H 7.68 . 1 470 56 56 MET CA C 56.1 . 1 471 56 56 MET HA H 4.19 . 1 472 56 56 MET CB C 32.9 . 1 473 56 56 MET HB2 H 1.90 . 2 474 56 56 MET HB3 H 1.99 . 2 475 56 56 MET CG C 32.3 . 1 476 56 56 MET HG2 H 2.47 . 2 477 56 56 MET HG3 H 2.64 . 2 478 57 57 ASP N N 118.1 . 1 479 57 57 ASP H H 7.87 . 1 480 57 57 ASP CA C 54.1 . 1 481 57 57 ASP HA H 4.53 . 1 482 57 57 ASP CB C 40.1 . 1 483 57 57 ASP HB2 H 2.53 . 2 484 57 57 ASP HB3 H 2.83 . 2 485 58 58 PHE N N 119.4 . 1 486 58 58 PHE H H 7.96 . 1 487 58 58 PHE CA C 58.4 . 1 488 58 58 PHE HA H 4.53 . 1 489 58 58 PHE CB C 38.9 . 1 490 58 58 PHE HB2 H 3.13 . 2 491 58 58 PHE HB3 H 3.00 . 2 492 58 58 PHE HD1 H 7.22 . 1 493 58 58 PHE HD2 H 7.22 . 1 494 58 58 PHE HE1 H 7.28 . 1 495 58 58 PHE HE2 H 7.28 . 1 496 58 58 PHE CD1 C 131.3 . 1 497 58 58 PHE CE1 C 131.2 . 1 498 58 58 PHE CZ C 128.8 . 1 499 58 58 PHE HZ H 6.91 . 1 500 60 60 MET CA C 55.6 . 1 501 60 60 MET HA H 4.30 . 1 502 60 60 MET CB C 30.7 . 1 503 60 60 MET HB2 H 1.59 . 2 504 60 60 MET HB3 H 1.69 . 2 505 60 60 MET CG C 30.8 . 1 506 60 60 MET HG2 H 1.68 . 2 507 60 60 MET HG3 H 1.81 . 2 508 61 61 ALA N N 124.8 . 1 509 61 61 ALA H H 8.42 . 1 510 61 61 ALA CA C 52.4 . 1 511 61 61 ALA HA H 4.28 . 1 512 61 61 ALA HB H 1.36 . 1 513 61 61 ALA CB C 19.2 . 1 514 62 62 LYS N N 119.9 . 1 515 62 62 LYS H H 8.01 . 1 516 62 62 LYS CA C 54.0 . 1 517 62 62 LYS HA H 4.60 . 1 518 62 62 LYS CB C 32.7 . 1 519 62 62 LYS HB2 H 1.66 . 2 520 62 62 LYS HB3 H 1.78 . 2 521 62 62 LYS CG C 24.3 . 1 522 62 62 LYS HG2 H 1.39 . 1 523 62 62 LYS HG3 H 1.39 . 1 524 62 62 LYS CD C 28.9 . 1 525 62 62 LYS HD2 H 1.68 . 1 526 62 62 LYS HD3 H 1.68 . 1 527 62 62 LYS CE C 41.8 . 1 528 62 62 LYS HE2 H 2.93 . 1 529 62 62 LYS HE3 H 2.93 . 1 530 68 68 GLN CA C 55.5 . 1 531 68 68 GLN HA H 3.88 . 1 532 68 68 GLN CB C 31.0 . 1 533 68 68 GLN HB2 H 2.05 . 1 534 68 68 GLN HB3 H 2.05 . 1 535 68 68 GLN CG C 36.8 . 1 536 68 68 GLN HG2 H 2.07 . 1 537 68 68 GLN HG3 H 2.07 . 1 538 69 69 ASP N N 125.4 . 1 539 69 69 ASP H H 7.69 . 1 540 69 69 ASP CA C 54.3 . 1 541 69 69 ASP HA H 4.71 . 1 542 69 69 ASP CB C 40.6 . 1 543 69 69 ASP HB2 H 2.77 . 1 544 69 69 ASP HB3 H 2.77 . 1 545 70 70 GLN N N 118.3 . 1 546 70 70 GLN H H 7.75 . 1 547 70 70 GLN CA C 56.5 . 1 548 70 70 GLN HA H 4.54 . 1 549 70 70 GLN CB C 30.4 . 1 550 70 70 GLN HB2 H 2.20 . 2 551 70 70 GLN HB3 H 2.08 . 2 552 70 70 GLN CG C 34.0 . 1 553 70 70 GLN HG2 H 2.44 . 1 554 70 70 GLN HG3 H 2.44 . 1 555 70 70 GLN NE2 N 112.7 . 1 556 70 70 GLN HE21 H 7.37 . 2 557 70 70 GLN HE22 H 6.64 . 2 558 71 71 MET N N 120.5 . 1 559 71 71 MET H H 8.42 . 1 560 71 71 MET CA C 52.9 . 1 561 71 71 MET HA H 5.19 . 1 562 71 71 MET CB C 31.5 . 1 563 71 71 MET HB2 H 1.76 . 1 564 71 71 MET HB3 H 1.76 . 1 565 71 71 MET CG C 32.4 . 1 566 71 71 MET HG2 H 2.82 . 1 567 71 71 MET HG3 H 2.82 . 1 568 72 72 VAL N N 121.5 . 1 569 72 72 VAL H H 9.00 . 1 570 72 72 VAL CA C 62.8 . 1 571 72 72 VAL HA H 4.02 . 1 572 72 72 VAL CB C 31.2 . 1 573 72 72 VAL HB H 2.05 . 1 574 72 72 VAL HG1 H 0.80 . 2 575 72 72 VAL HG2 H 0.93 . 2 576 72 72 VAL CG1 C 23.9 . 1 577 72 72 VAL CG2 C 21.9 . 1 578 73 73 LEU N N 131.7 . 1 579 73 73 LEU H H 9.63 . 1 580 73 73 LEU CA C 54.3 . 1 581 73 73 LEU HA H 4.35 . 1 582 73 73 LEU CB C 41.6 . 1 583 73 73 LEU HB2 H 1.98 . 2 584 73 73 LEU HB3 H 2.11 . 2 585 73 73 LEU CG C 27.0 . 1 586 73 73 LEU HG H 1.76 . 1 587 73 73 LEU HD1 H 0.89 . 2 588 73 73 LEU HD2 H 0.06 . 2 589 73 73 LEU CD1 C 25.2 . 1 590 73 73 LEU CD2 C 21.8 . 1 591 74 74 ASN N N 119.0 . 1 592 74 74 ASN H H 8.37 . 1 593 74 74 ASN CA C 51.7 . 1 594 74 74 ASN HA H 5.06 . 1 595 74 74 ASN CB C 37.8 . 1 596 74 74 ASN HB2 H 2.46 . 2 597 74 74 ASN HB3 H 3.00 . 2 598 74 74 ASN ND2 N 108.6 . 1 599 74 74 ASN HD21 H 7.22 . 2 600 74 74 ASN HD22 H 6.42 . 2 601 75 75 GLY N N 111.7 . 1 602 75 75 GLY H H 8.90 . 1 603 75 75 GLY CA C 45.7 . 1 604 75 75 GLY HA2 H 4.03 . 2 605 75 75 GLY HA3 H 4.54 . 2 606 76 76 GLY N N 106.7 . 1 607 76 76 GLY H H 7.62 . 1 608 76 76 GLY CA C 44.3 . 1 609 76 76 GLY HA2 H 4.41 . 2 610 76 76 GLY HA3 H 3.60 . 2 611 77 77 PRO CD C 50.2 . 1 612 77 77 PRO CA C 62.9 . 1 613 77 77 PRO HA H 4.35 . 1 614 77 77 PRO CB C 32.4 . 1 615 77 77 PRO HB2 H 1.39 . 2 616 77 77 PRO HB3 H 1.76 . 2 617 77 77 PRO CG C 32.0 . 1 618 77 77 PRO HG2 H 1.87 . 1 619 77 77 PRO HG3 H 1.87 . 1 620 77 77 PRO HD2 H 3.59 . 2 621 77 77 PRO HD3 H 3.74 . 2 622 78 78 VAL N N 122.0 . 1 623 78 78 VAL H H 8.49 . 1 624 78 78 VAL CA C 61.4 . 1 625 78 78 VAL HA H 4.05 . 1 626 78 78 VAL CB C 31.9 . 1 627 78 78 VAL HB H 2.04 . 1 628 78 78 VAL HG1 H 0.73 . 2 629 78 78 VAL HG2 H 0.84 . 2 630 78 78 VAL CG1 C 21.0 . 1 631 78 78 VAL CG2 C 21.0 . 1 632 79 79 ASN N N 121.1 . 1 633 79 79 ASN H H 9.08 . 1 634 79 79 ASN CA C 54.0 . 1 635 79 79 ASN HA H 4.50 . 1 636 79 79 ASN CB C 37.2 . 1 637 79 79 ASN HB2 H 3.02 . 1 638 79 79 ASN HB3 H 3.02 . 1 639 79 79 ASN ND2 N 111.7 . 1 640 79 79 ASN HD21 H 7.14 . 2 641 79 79 ASN HD22 H 7.05 . 2 642 80 80 GLN N N 113.8 . 1 643 80 80 GLN H H 8.53 . 1 644 80 80 GLN CA C 58.8 . 1 645 80 80 GLN HA H 3.82 . 1 646 80 80 GLN CB C 28.7 . 1 647 80 80 GLN HB2 H 1.91 . 2 648 80 80 GLN HB3 H 2.16 . 2 649 80 80 GLN CG C 35.0 . 1 650 80 80 GLN HG2 H 2.31 . 2 651 80 80 GLN HG3 H 2.46 . 2 652 81 81 ASP N N 113.4 . 1 653 81 81 ASP H H 8.75 . 1 654 81 81 ASP CA C 52.0 . 1 655 81 81 ASP HA H 4.50 . 1 656 81 81 ASP CB C 39.8 . 1 657 81 81 ASP HB2 H 2.76 . 2 658 81 81 ASP HB3 H 2.58 . 2 659 82 82 ARG N N 121.4 . 1 660 82 82 ARG H H 8.16 . 1 661 82 82 ARG CA C 54.6 . 1 662 82 82 ARG HA H 4.42 . 1 663 82 82 ARG CB C 32.0 . 1 664 82 82 ARG HB2 H 1.73 . 1 665 82 82 ARG HB3 H 1.73 . 1 666 82 82 ARG CG C 26.4 . 1 667 82 82 ARG HG2 H 1.38 . 2 668 82 82 ARG HG3 H 1.51 . 2 669 82 82 ARG CD C 43.1 . 1 670 82 82 ARG HD2 H 3.00 . 1 671 82 82 ARG HD3 H 3.00 . 1 672 83 83 GLY N N 106.9 . 1 673 83 83 GLY H H 8.00 . 1 674 83 83 GLY CA C 44.1 . 1 675 83 83 GLY HA2 H 4.96 . 2 676 83 83 GLY HA3 H 3.06 . 2 677 84 84 PHE N N 122.8 . 1 678 84 84 PHE H H 9.62 . 1 679 84 84 PHE CA C 57.4 . 1 680 84 84 PHE HA H 4.30 . 1 681 84 84 PHE CB C 40.9 . 1 682 84 84 PHE HB2 H 2.68 . 1 683 84 84 PHE HB3 H 2.68 . 1 684 84 84 PHE HD1 H 7.07 . 1 685 84 84 PHE HD2 H 7.07 . 1 686 84 84 PHE HE1 H 6.79 . 1 687 84 84 PHE HE2 H 6.79 . 1 688 84 84 PHE CD1 C 132.8 . 1 689 84 84 PHE CE1 C 133.1 . 1 690 84 84 PHE CZ C 128.9 . 1 691 84 84 PHE HZ H 6.59 . 1 692 85 85 ILE N N 124.1 . 1 693 85 85 ILE H H 8.53 . 1 694 85 85 ILE CA C 61.0 . 1 695 85 85 ILE HA H 5.46 . 1 696 85 85 ILE CB C 37.9 . 1 697 85 85 ILE HB H 2.33 . 1 698 85 85 ILE HG2 H 1.07 . 1 699 85 85 ILE CG2 C 20.7 . 1 700 85 85 ILE CG1 C 26.5 . 1 701 85 85 ILE HG12 H 1.48 . 1 702 85 85 ILE HG13 H 1.48 . 1 703 85 85 ILE HD1 H 0.78 . 1 704 85 85 ILE CD1 C 14.5 . 1 705 86 86 VAL N N 129.7 . 1 706 86 86 VAL H H 8.22 . 1 707 86 86 VAL CA C 61.5 . 1 708 86 86 VAL HA H 5.03 . 1 709 86 86 VAL CB C 32.6 . 1 710 86 86 VAL HB H 2.11 . 1 711 86 86 VAL HG1 H 0.90 . 2 712 86 86 VAL HG2 H 1.13 . 2 713 86 86 VAL CG1 C 22.2 . 1 714 86 86 VAL CG2 C 23.0 . 1 715 87 87 HIS N N 122.1 . 1 716 87 87 HIS H H 9.76 . 1 717 87 87 HIS CA C 54.0 . 1 718 87 87 HIS HA H 5.85 . 1 719 87 87 HIS CB C 33.2 . 1 720 87 87 HIS HB2 H 3.20 . 2 721 87 87 HIS HB3 H 3.58 . 2 722 87 87 HIS CD2 C 119.8 . 1 723 87 87 HIS HD2 H 6.83 . 1 724 88 88 SER N N 115.3 . 1 725 88 88 SER H H 8.86 . 1 726 88 88 SER CA C 58.4 . 1 727 88 88 SER HA H 4.60 . 1 728 88 88 SER CB C 64.0 . 1 729 88 88 SER HB2 H 3.73 . 2 730 88 88 SER HB3 H 4.31 . 2 731 89 89 LYS N N 123.7 . 1 732 89 89 LYS H H 8.05 . 1 733 89 89 LYS CA C 56.9 . 1 734 89 89 LYS HA H 4.41 . 1 735 89 89 LYS CB C 32.3 . 1 736 89 89 LYS HB2 H 1.75 . 2 737 89 89 LYS HB3 H 1.89 . 2 738 89 89 LYS CG C 23.7 . 1 739 89 89 LYS HG2 H 1.45 . 1 740 89 89 LYS HG3 H 1.45 . 1 741 89 89 LYS CD C 29.3 . 1 742 89 89 LYS HD2 H 1.77 . 1 743 89 89 LYS HD3 H 1.77 . 1 744 89 89 LYS CE C 42.1 . 1 745 89 89 LYS HE2 H 2.99 . 1 746 89 89 LYS HE3 H 2.99 . 1 747 90 90 THR N N 115.6 . 1 748 90 90 THR H H 8.38 . 1 749 90 90 THR CA C 59.5 . 1 750 90 90 THR HA H 4.44 . 1 751 90 90 THR CB C 71.1 . 1 752 90 90 THR HB H 4.83 . 1 753 90 90 THR HG2 H 1.32 . 1 754 90 90 THR CG2 C 21.6 . 1 755 91 91 ASP CA C 55.5 . 1 756 91 91 ASP HA H 4.39 . 1 757 91 91 ASP CB C 40.5 . 1 758 91 91 ASP HB2 H 2.50 . 2 759 91 91 ASP HB3 H 2.62 . 2 760 92 92 HIS N N 116.8 . 1 761 92 92 HIS H H 7.61 . 1 762 92 92 HIS CA C 55.3 . 1 763 92 92 HIS HA H 4.32 . 1 764 92 92 HIS CB C 31.4 . 1 765 92 92 HIS HB2 H 2.63 . 1 766 92 92 HIS HB3 H 2.63 . 1 767 92 92 HIS CD2 C 119.1 . 1 768 92 92 HIS CE1 C 118.4 . 1 769 92 92 HIS HD2 H 6.05 . 1 770 92 92 HIS HE1 H 6.95 . 1 771 93 93 GLU N N 121.0 . 1 772 93 93 GLU H H 7.79 . 1 773 93 93 GLU CA C 55.2 . 1 774 93 93 GLU HA H 4.18 . 1 775 93 93 GLU CB C 30.1 . 1 776 93 93 GLU HB2 H 1.92 . 2 777 93 93 GLU HB3 H 1.73 . 2 778 93 93 GLU CG C 35.8 . 1 779 93 93 GLU HG2 H 2.15 . 1 780 93 93 GLU HG3 H 2.15 . 1 781 94 94 PHE N N 122.6 . 1 782 94 94 PHE H H 8.30 . 1 783 94 94 PHE CA C 57.4 . 1 784 94 94 PHE HA H 4.59 . 1 785 94 94 PHE CB C 39.0 . 1 786 94 94 PHE HB2 H 2.17 . 1 787 94 94 PHE HB3 H 2.17 . 1 788 94 94 PHE HD1 H 7.36 . 1 789 94 94 PHE HD2 H 7.36 . 1 790 94 94 PHE HE1 H 7.09 . 1 791 94 94 PHE HE2 H 7.09 . 1 792 94 94 PHE CD1 C 131.2 . 1 793 94 94 PHE CE1 C 131.0 . 1 794 94 94 PHE CZ C 129.0 . 1 795 94 94 PHE HZ H 7.00 . 1 796 95 95 THR N N 117.9 . 1 797 95 95 THR H H 10.19 . 1 798 95 95 THR CA C 67.9 . 1 799 95 95 THR HA H 3.74 . 1 800 95 95 THR CB C 68.7 . 1 801 95 95 THR HB H 3.90 . 1 802 95 95 THR HG2 H 0.88 . 1 803 95 95 THR CG2 C 20.5 . 1 804 96 96 HIS N N 119.4 . 1 805 96 96 HIS H H 8.65 . 1 806 96 96 HIS CA C 54.5 . 1 807 96 96 HIS HA H 5.04 . 1 808 96 96 HIS CB C 31.0 . 1 809 96 96 HIS HB2 H 3.02 . 2 810 96 96 HIS HB3 H 2.93 . 2 811 96 96 HIS CD2 C 118.3 . 1 812 96 96 HIS CE1 C 133.1 . 1 813 96 96 HIS HD2 H 6.80 . 1 814 96 96 HIS HE1 H 7.06 . 1 815 97 97 SER N N 119.0 . 1 816 97 97 SER H H 8.21 . 1 817 97 97 SER CA C 57.8 . 1 818 97 97 SER HA H 5.68 . 1 819 97 97 SER CB C 66.4 . 1 820 97 97 SER HB2 H 3.51 . 2 821 97 97 SER HB3 H 3.80 . 2 822 98 98 TYR N N 125.6 . 1 823 98 98 TYR H H 9.76 . 1 824 98 98 TYR CA C 57.0 . 1 825 98 98 TYR HA H 4.67 . 1 826 98 98 TYR CB C 41.7 . 1 827 98 98 TYR HB2 H 3.03 . 2 828 98 98 TYR HB3 H 2.93 . 2 829 98 98 TYR HD1 H 7.15 . 1 830 98 98 TYR HD2 H 7.15 . 1 831 98 98 TYR HE1 H 7.42 . 1 832 98 98 TYR HE2 H 7.42 . 1 833 98 98 TYR CD1 C 129.6 . 1 834 98 98 TYR CE1 C 117.7 . 1 835 99 99 LYS N N 127.4 . 1 836 99 99 LYS H H 8.47 . 1 837 99 99 LYS CA C 57.4 . 1 838 99 99 LYS HA H 4.28 . 1 839 99 99 LYS CB C 31.0 . 1 840 99 99 LYS HB2 H 1.61 . 1 841 99 99 LYS HB3 H 1.61 . 1 842 99 99 LYS CG C 24.3 . 1 843 99 99 LYS HG2 H 1.50 . 1 844 99 99 LYS HG3 H 1.50 . 1 845 99 99 LYS CD C 29.1 . 1 846 99 99 LYS HD2 H 1.66 . 1 847 99 99 LYS HD3 H 1.66 . 1 848 99 99 LYS CE C 41.8 . 1 849 99 99 LYS HE2 H 2.93 . 1 850 99 99 LYS HE3 H 2.93 . 1 851 100 100 VAL N N 130.5 . 1 852 100 100 VAL H H 8.50 . 1 853 100 100 VAL CA C 65.6 . 1 854 100 100 VAL HA H 4.05 . 1 855 100 100 VAL CB C 32.8 . 1 856 100 100 VAL HB H 2.21 . 1 857 100 100 VAL HG1 H 1.25 . 2 858 100 100 VAL HG2 H 1.36 . 2 859 100 100 VAL CG1 C 22.7 . 1 860 100 100 VAL CG2 C 21.3 . 1 861 101 101 THR N N 108.6 . 1 862 101 101 THR H H 8.42 . 1 863 101 101 THR CA C 58.7 . 1 864 101 101 THR HA H 4.62 . 1 865 101 101 THR CB C 71.7 . 1 866 101 101 THR HB H 3.76 . 1 867 101 101 THR HG2 H 1.29 . 1 868 101 101 THR CG2 C 22.5 . 1 869 102 102 ASP N N 119.7 . 1 870 102 102 ASP H H 8.56 . 1 871 102 102 ASP CA C 57.0 . 1 872 102 102 ASP HA H 4.39 . 1 873 102 102 ASP CB C 40.5 . 1 874 102 102 ASP HB2 H 2.66 . 1 875 102 102 ASP HB3 H 2.66 . 1 876 103 103 ASP N N 113.4 . 1 877 103 103 ASP H H 8.04 . 1 878 103 103 ASP CA C 55.0 . 1 879 103 103 ASP HA H 4.90 . 1 880 103 103 ASP CB C 43.8 . 1 881 103 103 ASP HB2 H 2.49 . 2 882 103 103 ASP HB3 H 2.76 . 2 883 104 104 ILE N N 123.0 . 1 884 104 104 ILE H H 7.51 . 1 885 104 104 ILE CA C 59.3 . 1 886 104 104 ILE HA H 4.77 . 1 887 104 104 ILE CB C 38.4 . 1 888 104 104 ILE HB H 2.06 . 1 889 104 104 ILE HG2 H 0.93 . 1 890 104 104 ILE CG2 C 19.1 . 1 891 104 104 ILE CG1 C 26.7 . 1 892 104 104 ILE HG12 H 1.38 . 2 893 104 104 ILE HG13 H 1.16 . 2 894 104 104 ILE HD1 H 0.77 . 1 895 104 104 ILE CD1 C 10.3 . 1 896 105 105 THR N N 126.4 . 1 897 105 105 THR H H 9.21 . 1 898 105 105 THR CA C 61.7 . 1 899 105 105 THR HA H 4.77 . 1 900 105 105 THR CB C 72.4 . 1 901 105 105 THR HB H 2.85 . 1 902 105 105 THR HG2 H 1.26 . 1 903 105 105 THR CG2 C 23.9 . 1 904 106 106 LEU N N 125.4 . 1 905 106 106 LEU H H 9.27 . 1 906 106 106 LEU CA C 53.1 . 1 907 106 106 LEU HA H 5.56 . 1 908 106 106 LEU CB C 44.1 . 1 909 106 106 LEU HB2 H 1.47 . 2 910 106 106 LEU HB3 H 2.13 . 2 911 106 106 LEU CG C 28.0 . 1 912 106 106 LEU HG H 1.64 . 1 913 106 106 LEU HD1 H 0.96 . 2 914 106 106 LEU HD2 H 1.17 . 2 915 106 106 LEU CD1 C 25.8 . 1 916 106 106 LEU CD2 C 23.9 . 1 917 107 107 THR N N 128.7 . 1 918 107 107 THR H H 10.27 . 1 919 107 107 THR CA C 62.3 . 1 920 107 107 THR HA H 5.70 . 1 921 107 107 THR CB C 70.4 . 1 922 107 107 THR HB H 4.04 . 1 923 107 107 THR HG2 H 1.42 . 1 924 107 107 THR CG2 C 23.9 . 1 925 108 108 THR N N 112.8 . 1 926 108 108 THR H H 8.77 . 1 927 108 108 THR CA C 60.0 . 1 928 108 108 THR HA H 4.78 . 1 929 108 108 THR CB C 69.1 . 1 930 108 108 THR HB H 4.37 . 1 931 108 108 THR HG2 H 1.06 . 1 932 108 108 THR CG2 C 21.7 . 1 933 109 109 SER N N 115.6 . 1 934 109 109 SER H H 7.80 . 1 935 109 109 SER CA C 56.1 . 1 936 109 109 SER HA H 4.78 . 1 937 109 109 SER CB C 62.7 . 1 938 109 109 SER HB2 H 3.88 . 2 939 109 109 SER HB3 H 3.94 . 2 940 110 110 GLY CA C 46.2 . 1 941 110 110 GLY HA2 H 3.76 . 1 942 110 110 GLY HA3 H 3.76 . 1 943 111 111 ASP N N 121.0 . 1 944 111 111 ASP H H 8.44 . 1 945 111 111 ASP CA C 55.2 . 1 946 111 111 ASP HA H 4.20 . 1 947 111 111 ASP CB C 37.3 . 1 948 111 111 ASP HB2 H 2.75 . 2 949 111 111 ASP HB3 H 3.03 . 2 950 112 112 VAL N N 121.1 . 1 951 112 112 VAL H H 7.12 . 1 952 112 112 VAL CA C 63.3 . 1 953 112 112 VAL HA H 2.98 . 1 954 112 112 VAL CB C 30.4 . 1 955 112 112 VAL HB H 0.56 . 1 956 112 112 VAL HG1 H -0.09 . 2 957 112 112 VAL HG2 H 0.66 . 2 958 112 112 VAL CG1 C 21.7 . 1 959 112 112 VAL CG2 C 19.8 . 1 960 113 113 LEU N N 122.7 . 1 961 113 113 LEU H H 6.53 . 1 962 113 113 LEU CA C 56.5 . 1 963 113 113 LEU HA H 2.72 . 1 964 113 113 LEU CB C 39.9 . 1 965 113 113 LEU HB2 H 0.99 . 2 966 113 113 LEU HB3 H 1.76 . 2 967 113 113 LEU CG C 27.0 . 1 968 113 113 LEU HG H 1.26 . 1 969 113 113 LEU HD1 H 0.54 . 2 970 113 113 LEU HD2 H 0.77 . 2 971 113 113 LEU CD1 C 23.4 . 1 972 113 113 LEU CD2 C 25.7 . 1 973 114 114 ASP N N 115.5 . 1 974 114 114 ASP H H 6.87 . 1 975 114 114 ASP CA C 55.1 . 1 976 114 114 ASP HA H 4.11 . 1 977 114 114 ASP CB C 40.9 . 1 978 114 114 ASP HB2 H 2.33 . 2 979 114 114 ASP HB3 H 2.47 . 2 980 115 115 SER N N 113.3 . 1 981 115 115 SER H H 7.11 . 1 982 115 115 SER CA C 59.6 . 1 983 115 115 SER HA H 4.05 . 1 984 115 115 SER CB C 63.9 . 1 985 115 115 SER HB2 H 3.68 . 2 986 115 115 SER HB3 H 3.83 . 2 987 116 116 PHE N N 123.5 . 1 988 116 116 PHE H H 6.94 . 1 989 116 116 PHE CA C 57.0 . 1 990 116 116 PHE HA H 4.46 . 1 991 116 116 PHE CB C 36.2 . 1 992 116 116 PHE HB2 H 3.01 . 2 993 116 116 PHE HB3 H 2.90 . 2 994 116 116 PHE HD1 H 7.49 . 1 995 116 116 PHE HD2 H 7.49 . 1 996 116 116 PHE HE1 H 7.03 . 1 997 116 116 PHE HE2 H 7.03 . 1 998 116 116 PHE CD1 C 131.4 . 1 999 116 116 PHE CE1 C 129.6 . 1 1000 116 116 PHE CZ C 129.1 . 1 1001 116 116 PHE HZ H 6.83 . 1 1002 117 117 GLY CA C 45.3 . 1 1003 117 117 GLY HA2 H 4.11 . 2 1004 117 117 GLY HA3 H 3.90 . 2 1005 118 118 THR N N 109.5 . 1 1006 118 118 THR H H 8.00 . 1 1007 118 118 THR CA C 59.9 . 1 1008 118 118 THR HA H 5.02 . 1 1009 118 118 THR CB C 72.1 . 1 1010 118 118 THR HB H 4.46 . 1 1011 118 118 THR HG2 H 1.11 . 1 1012 118 118 THR CG2 C 20.4 . 1 1013 119 119 GLN CA C 57.3 . 1 1014 119 119 GLN HA H 4.31 . 1 1015 119 119 GLN CB C 28.5 . 1 1016 119 119 GLN HB2 H 2.16 . 2 1017 119 119 GLN HB3 H 2.23 . 2 1018 119 119 GLN CG C 35.5 . 1 1019 119 119 GLN HG2 H 2.34 . 2 1020 119 119 GLN HG3 H 2.45 . 2 1021 120 120 THR N N 109.0 . 1 1022 120 120 THR H H 7.93 . 1 1023 120 120 THR CA C 60.9 . 1 1024 120 120 THR HA H 4.31 . 1 1025 120 120 THR CB C 68.3 . 1 1026 120 120 THR HB H 4.16 . 1 1027 120 120 THR HG2 H 0.89 . 1 1028 120 120 THR CG2 C 22.1 . 1 1029 121 121 ALA N N 123.5 . 1 1030 121 121 ALA H H 7.08 . 1 1031 121 121 ALA CA C 50.7 . 1 1032 121 121 ALA HA H 4.61 . 1 1033 121 121 ALA HB H 1.51 . 1 1034 121 121 ALA CB C 18.6 . 1 1035 122 122 PRO CD C 21.1 . 1 1036 122 122 PRO CA C 61.4 . 1 1037 122 122 PRO HA H 4.45 . 1 1038 122 122 PRO CB C 32.4 . 1 1039 122 122 PRO HB2 H 2.07 . 2 1040 122 122 PRO HB3 H 2.76 . 2 1041 122 122 PRO CG C 27.4 . 1 1042 122 122 PRO HG2 H 1.98 . 1 1043 122 122 PRO HG3 H 1.98 . 1 1044 122 122 PRO HD2 H 3.22 . 2 1045 122 122 PRO HD3 H 3.83 . 2 1046 123 123 GLU N N 121.3 . 1 1047 123 123 GLU H H 8.11 . 1 1048 123 123 GLU CA C 59.0 . 1 1049 123 123 GLU HA H 3.89 . 1 1050 123 123 GLU CB C 30.1 . 1 1051 123 123 GLU HB2 H 1.98 . 1 1052 123 123 GLU HB3 H 1.98 . 1 1053 123 123 GLU CG C 36.5 . 1 1054 123 123 GLU HG2 H 2.19 . 2 1055 123 123 GLU HG3 H 2.35 . 2 1056 124 124 LYS N N 114.5 . 1 1057 124 124 LYS H H 7.76 . 1 1058 124 124 LYS CA C 53.0 . 1 1059 124 124 LYS HA H 4.34 . 1 1060 124 124 LYS CB C 33.8 . 1 1061 124 124 LYS HB2 H 0.17 . 2 1062 124 124 LYS HB3 H 0.62 . 2 1063 124 124 LYS CG C 23.9 . 1 1064 124 124 LYS HG2 H 0.95 . 1 1065 124 124 LYS HG3 H 0.95 . 1 1066 124 124 LYS CD C 28.9 . 1 1067 124 124 LYS HD2 H 1.41 . 2 1068 124 124 LYS HD3 H 1.21 . 2 1069 124 124 LYS CE C 42.3 . 1 1070 124 124 LYS HE2 H 2.76 . 1 1071 124 124 LYS HE3 H 2.76 . 1 1072 125 125 PHE N N 114.9 . 1 1073 125 125 PHE H H 7.73 . 1 1074 125 125 PHE CA C 56.8 . 1 1075 125 125 PHE HA H 5.84 . 1 1076 125 125 PHE CB C 41.2 . 1 1077 125 125 PHE HB2 H 2.78 . 2 1078 125 125 PHE HB3 H 3.19 . 2 1079 125 125 PHE HD1 H 6.55 . 1 1080 125 125 PHE HD2 H 6.55 . 1 1081 125 125 PHE HE1 H 6.78 . 1 1082 125 125 PHE HE2 H 6.78 . 1 1083 125 125 PHE CD1 C 131.8 . 1 1084 125 125 PHE CE1 C 130.4 . 1 1085 125 125 PHE CZ C 129.1 . 1 1086 125 125 PHE HZ H 7.09 . 1 1087 126 126 ILE N N 113.2 . 1 1088 126 126 ILE H H 9.25 . 1 1089 126 126 ILE CA C 61.1 . 1 1090 126 126 ILE HA H 4.81 . 1 1091 126 126 ILE CB C 41.7 . 1 1092 126 126 ILE HB H 2.12 . 1 1093 126 126 ILE HG2 H 1.38 . 1 1094 126 126 ILE CG2 C 19.2 . 1 1095 126 126 ILE CG1 C 26.6 . 1 1096 126 126 ILE HG12 H 1.28 . 1 1097 126 126 ILE HG13 H 1.28 . 1 1098 126 126 ILE HD1 H 0.76 . 1 1099 126 126 ILE CD1 C 13.5 . 1 1100 127 127 VAL N N 122.4 . 1 1101 127 127 VAL H H 9.42 . 1 1102 127 127 VAL CA C 61.8 . 1 1103 127 127 VAL HA H 4.60 . 1 1104 127 127 VAL CB C 33.3 . 1 1105 127 127 VAL HB H 2.21 . 1 1106 127 127 VAL HG1 H 0.91 . 2 1107 127 127 VAL HG2 H 1.16 . 2 1108 127 127 VAL CG1 C 20.9 . 1 1109 127 127 VAL CG2 C 21.7 . 1 1110 128 128 CYS N N 123.6 . 1 1111 128 128 CYS H H 8.64 . 1 1112 128 128 CYS CA C 56.1 . 1 1113 128 128 CYS HA H 5.47 . 1 1114 128 128 CYS CB C 29.8 . 1 1115 128 128 CYS HB2 H 2.81 . 2 1116 128 128 CYS HB3 H 3.50 . 2 1117 129 129 LEU N N 123.5 . 1 1118 129 129 LEU H H 9.15 . 1 1119 129 129 LEU CA C 53.9 . 1 1120 129 129 LEU HA H 5.34 . 1 1121 129 129 LEU CB C 42.2 . 1 1122 129 129 LEU HB2 H 1.65 . 2 1123 129 129 LEU HB3 H 1.76 . 2 1124 129 129 LEU CG C 27.0 . 1 1125 129 129 LEU HG H 1.49 . 1 1126 129 129 LEU HD1 H 0.69 . 2 1127 129 129 LEU HD2 H 0.85 . 2 1128 129 129 LEU CD1 C 22.2 . 1 1129 129 129 LEU CD2 C 25.8 . 1 1130 130 130 GLY N N 113.2 . 1 1131 130 130 GLY H H 8.51 . 1 1132 130 130 GLY CA C 44.6 . 1 1133 130 130 GLY HA2 H 4.40 . 2 1134 130 130 GLY HA3 H 4.07 . 2 1135 131 131 CYS N N 107.6 . 1 1136 131 131 CYS H H 8.30 . 1 1137 131 131 CYS CA C 55.1 . 1 1138 131 131 CYS HA H 4.66 . 1 1139 131 131 CYS CB C 30.5 . 1 1140 131 131 CYS HB2 H 0.94 . 2 1141 131 131 CYS HB3 H 2.46 . 2 1142 132 132 SER N N 113.8 . 1 1143 132 132 SER H H 8.84 . 1 1144 132 132 SER CA C 57.8 . 1 1145 132 132 SER HA H 4.89 . 1 1146 132 132 SER CB C 65.4 . 1 1147 132 132 SER HB2 H 3.33 . 1 1148 132 132 SER HB3 H 3.33 . 1 1149 133 133 THR N N 112.7 . 1 1150 133 133 THR H H 7.98 . 1 1151 133 133 THR CA C 58.8 . 1 1152 133 133 THR HA H 5.45 . 1 1153 133 133 THR CB C 71.9 . 1 1154 133 133 THR HB H 4.15 . 1 1155 133 133 THR HG2 H 0.98 . 1 1156 133 133 THR CG2 C 22.0 . 1 1157 134 134 TRP N N 119.9 . 1 1158 134 134 TRP H H 8.92 . 1 1159 134 134 TRP CA C 58.7 . 1 1160 134 134 TRP HA H 4.72 . 1 1161 134 134 TRP CB C 35.5 . 1 1162 134 134 TRP HB2 H 3.22 . 1 1163 134 134 TRP HB3 H 3.22 . 1 1164 134 134 TRP CD1 C 125.9 . 1 1165 134 134 TRP CE3 C 117.9 . 1 1166 134 134 TRP NE1 N 131.2 . 1 1167 134 134 TRP HD1 H 6.76 . 1 1168 134 134 TRP HE3 H 7.43 . 1 1169 134 134 TRP CZ3 C 118.2 . 1 1170 134 134 TRP CZ2 C 114.2 . 1 1171 134 134 TRP HE1 H 10.43 . 1 1172 134 134 TRP HZ3 H 7.63 . 1 1173 134 134 TRP CH2 C 124.2 . 1 1174 134 134 TRP HZ2 H 7.25 . 1 1175 134 134 TRP HH2 H 6.93 . 1 1176 135 135 LYS N N 121.7 . 1 1177 135 135 LYS H H 8.54 . 1 1178 135 135 LYS CA C 54.8 . 1 1179 135 135 LYS HA H 3.96 . 1 1180 135 135 LYS CB C 29.3 . 1 1181 135 135 LYS HB2 H 2.15 . 2 1182 135 135 LYS HB3 H 2.02 . 2 1183 135 135 LYS CG C 29.3 . 1 1184 135 135 LYS HG2 H 1.75 . 1 1185 135 135 LYS HG3 H 1.75 . 1 1186 135 135 LYS CD C 28.9 . 1 1187 135 135 LYS HD2 H 1.68 . 1 1188 135 135 LYS HD3 H 1.68 . 1 1189 135 135 LYS CE C 42.3 . 1 1190 135 135 LYS HE2 H 2.99 . 1 1191 135 135 LYS HE3 H 2.99 . 1 1192 136 136 PRO CD C 50.4 . 1 1193 136 136 PRO CA C 64.5 . 1 1194 136 136 PRO HA H 4.31 . 1 1195 136 136 PRO CB C 30.6 . 1 1196 136 136 PRO HB2 H 1.94 . 1 1197 136 136 PRO HB3 H 1.94 . 1 1198 136 136 PRO CG C 27.3 . 1 1199 136 136 PRO HG2 H 1.63 . 1 1200 136 136 PRO HG3 H 1.63 . 1 1201 136 136 PRO HD2 H 3.32 . 2 1202 136 136 PRO HD3 H 3.80 . 2 1203 137 137 HIS N N 118.4 . 1 1204 137 137 HIS H H 9.37 . 1 1205 137 137 HIS CA C 59.8 . 1 1206 137 137 HIS HA H 4.17 . 1 1207 137 137 HIS CB C 28.8 . 1 1208 137 137 HIS HB2 H 3.19 . 2 1209 137 137 HIS HB3 H 3.56 . 2 1210 137 137 HIS CD2 C 119.2 . 1 1211 137 137 HIS CE1 C 136.2 . 1 1212 137 137 HIS HD2 H 6.77 . 1 1213 137 137 HIS HE1 H 8.91 . 1 1214 138 138 GLN N N 121.4 . 1 1215 138 138 GLN H H 8.01 . 1 1216 138 138 GLN CA C 58.9 . 1 1217 138 138 GLN HA H 4.24 . 1 1218 138 138 GLN CB C 29.7 . 1 1219 138 138 GLN HB2 H 2.15 . 2 1220 138 138 GLN HB3 H 2.53 . 2 1221 138 138 GLN CG C 33.0 . 1 1222 138 138 GLN HG2 H 2.81 . 1 1223 138 138 GLN HG3 H 2.81 . 1 1224 139 139 LEU N N 121.0 . 1 1225 139 139 LEU H H 8.24 . 1 1226 139 139 LEU CA C 57.9 . 1 1227 139 139 LEU HA H 3.58 . 1 1228 139 139 LEU CB C 38.6 . 1 1229 139 139 LEU HB2 H -0.10 . 2 1230 139 139 LEU HB3 H 0.97 . 2 1231 139 139 LEU CG C 26.1 . 1 1232 139 139 LEU HG H -0.47 . 1 1233 139 139 LEU HD1 H -0.55 . 2 1234 139 139 LEU HD2 H -0.47 . 2 1235 139 139 LEU CD1 C 21.0 . 1 1236 139 139 LEU CD2 C 26.1 . 1 1237 140 140 GLU N N 119.0 . 1 1238 140 140 GLU H H 10.34 . 1 1239 140 140 GLU CA C 61.6 . 1 1240 140 140 GLU HA H 3.59 . 1 1241 140 140 GLU CB C 27.7 . 1 1242 140 140 GLU HB2 H 2.11 . 2 1243 140 140 GLU HB3 H 2.08 . 2 1244 140 140 GLU CG C 32.3 . 1 1245 140 140 GLU HG2 H 2.78 . 1 1246 140 140 GLU HG3 H 2.78 . 1 1247 141 141 GLN N N 118.1 . 1 1248 141 141 GLN H H 7.46 . 1 1249 141 141 GLN CA C 58.8 . 1 1250 141 141 GLN HA H 4.14 . 1 1251 141 141 GLN CB C 28.1 . 1 1252 141 141 GLN HB2 H 2.31 . 2 1253 141 141 GLN HB3 H 2.27 . 2 1254 141 141 GLN CG C 33.6 . 1 1255 141 141 GLN HG2 H 2.43 . 2 1256 141 141 GLN HG3 H 2.54 . 2 1257 141 141 GLN NE2 N 111.2 . 1 1258 141 141 GLN HE21 H 7.44 . 2 1259 141 141 GLN HE22 H 6.84 . 2 1260 142 142 GLU N N 120.0 . 1 1261 142 142 GLU H H 7.97 . 1 1262 142 142 GLU CA C 59.6 . 1 1263 142 142 GLU HA H 4.05 . 1 1264 142 142 GLU CB C 30.2 . 1 1265 142 142 GLU HB2 H 2.56 . 1 1266 142 142 GLU HB3 H 2.56 . 1 1267 142 142 GLU CG C 34.0 . 1 1268 142 142 GLU HG2 H 2.34 . 2 1269 142 142 GLU HG3 H 2.41 . 2 1270 143 143 ILE N N 121.0 . 1 1271 143 143 ILE H H 8.90 . 1 1272 143 143 ILE CA C 65.9 . 1 1273 143 143 ILE HA H 3.89 . 1 1274 143 143 ILE CB C 38.1 . 1 1275 143 143 ILE HB H 1.70 . 1 1276 143 143 ILE HG2 H 0.61 . 1 1277 143 143 ILE CG2 C 17.3 . 1 1278 143 143 ILE CG1 C 28.8 . 1 1279 143 143 ILE HG12 H 0.56 . 2 1280 143 143 ILE HG13 H 1.68 . 2 1281 143 143 ILE HD1 H 0.31 . 1 1282 143 143 ILE CD1 C 14.6 . 1 1283 144 144 ALA N N 123.7 . 1 1284 144 144 ALA H H 8.28 . 1 1285 144 144 ALA CA C 54.8 . 1 1286 144 144 ALA HA H 4.25 . 1 1287 144 144 ALA HB H 1.62 . 1 1288 144 144 ALA CB C 17.8 . 1 1289 145 145 GLN N N 114.9 . 1 1290 145 145 GLN H H 7.56 . 1 1291 145 145 GLN CA C 56.2 . 1 1292 145 145 GLN HA H 4.17 . 1 1293 145 145 GLN CB C 28.8 . 1 1294 145 145 GLN HB2 H 1.67 . 2 1295 145 145 GLN HB3 H 2.02 . 2 1296 145 145 GLN CG C 34.6 . 1 1297 145 145 GLN HG2 H 2.30 . 2 1298 145 145 GLN HG3 H 2.46 . 2 1299 145 145 GLN NE2 N 109.7 . 1 1300 145 145 GLN HE21 H 6.84 . 2 1301 145 145 GLN HE22 H 6.97 . 2 1302 146 146 ASN N N 112.2 . 1 1303 146 146 ASN H H 8.28 . 1 1304 146 146 ASN CA C 54.8 . 1 1305 146 146 ASN HA H 4.36 . 1 1306 146 146 ASN CB C 37.0 . 1 1307 146 146 ASN HB2 H 2.76 . 2 1308 146 146 ASN HB3 H 3.11 . 2 1309 146 146 ASN ND2 N 111.7 . 1 1310 146 146 ASN HD21 H 7.52 . 2 1311 146 146 ASN HD22 H 6.69 . 2 1312 147 147 TYR N N 116.0 . 1 1313 147 147 TYR H H 8.13 . 1 1314 147 147 TYR CA C 58.7 . 1 1315 147 147 TYR HA H 4.05 . 1 1316 147 147 TYR CB C 37.4 . 1 1317 147 147 TYR HB2 H 2.57 . 2 1318 147 147 TYR HB3 H 2.47 . 2 1319 147 147 TYR HD1 H 6.84 . 1 1320 147 147 TYR HD2 H 6.84 . 1 1321 147 147 TYR HE1 H 6.85 . 1 1322 147 147 TYR HE2 H 6.85 . 1 1323 147 147 TYR CD1 C 131.0 . 1 1324 147 147 TYR CE1 C 118.3 . 1 1325 148 148 TRP N N 110.5 . 1 1326 148 148 TRP H H 6.71 . 1 1327 148 148 TRP CA C 53.0 . 1 1328 148 148 TRP HA H 5.45 . 1 1329 148 148 TRP CB C 34.7 . 1 1330 148 148 TRP HB2 H 2.45 . 1 1331 148 148 TRP HB3 H 2.45 . 1 1332 148 148 TRP CD1 C 127.5 . 1 1333 148 148 TRP CE3 C 119.4 . 1 1334 148 148 TRP NE1 N 129.3 . 1 1335 148 148 TRP HD1 H 6.57 . 1 1336 148 148 TRP HE3 H 7.09 . 1 1337 148 148 TRP CZ3 C 121.6 . 1 1338 148 148 TRP CZ2 C 114.1 . 1 1339 148 148 TRP HE1 H 11.12 . 1 1340 148 148 TRP HZ3 H 7.10 . 1 1341 148 148 TRP CH2 C 124.3 . 1 1342 148 148 TRP HZ2 H 7.34 . 1 1343 148 148 TRP HH2 H 7.14 . 1 1344 149 149 LEU N N 120.3 . 1 1345 149 149 LEU H H 9.41 . 1 1346 149 149 LEU CA C 53.6 . 1 1347 149 149 LEU HA H 4.62 . 1 1348 149 149 LEU CB C 43.6 . 1 1349 149 149 LEU HB2 H 1.39 . 2 1350 149 149 LEU HB3 H 1.61 . 2 1351 149 149 LEU CG C 27.0 . 1 1352 149 149 LEU HG H 1.58 . 1 1353 149 149 LEU HD1 H 0.87 . 2 1354 149 149 LEU HD2 H 0.88 . 2 1355 149 149 LEU CD1 C 26.3 . 1 1356 149 149 LEU CD2 C 22.9 . 1 1357 150 150 LEU N N 124.1 . 1 1358 150 150 LEU H H 8.44 . 1 1359 150 150 LEU CA C 53.8 . 1 1360 150 150 LEU HA H 4.95 . 1 1361 150 150 LEU CB C 44.8 . 1 1362 150 150 LEU HB2 H 0.99 . 2 1363 150 150 LEU HB3 H 1.69 . 2 1364 150 150 LEU CG C 26.9 . 1 1365 150 150 LEU HG H 1.32 . 1 1366 150 150 LEU HD1 H 0.61 . 2 1367 150 150 LEU HD2 H 0.66 . 2 1368 150 150 LEU CD1 C 26.2 . 1 1369 150 150 LEU CD2 C 24.0 . 1 1370 151 151 SER N N 118.4 . 1 1371 151 151 SER H H 9.07 . 1 1372 151 151 SER CA C 55.8 . 1 1373 151 151 SER HA H 4.81 . 1 1374 151 151 SER CB C 66.9 . 1 1375 151 151 SER HB2 H 3.45 . 2 1376 151 151 SER HB3 H 3.79 . 2 1377 152 152 GLU N N 122.9 . 1 1378 152 152 GLU H H 8.63 . 1 1379 152 152 GLU CA C 57.2 . 1 1380 152 152 GLU HA H 4.35 . 1 1381 152 152 GLU CB C 29.5 . 1 1382 152 152 GLU HB2 H 1.81 . 2 1383 152 152 GLU HB3 H 2.11 . 2 1384 152 152 GLU CG C 35.3 . 1 1385 152 152 GLU HG2 H 2.35 . 2 1386 152 152 GLU HG3 H 2.44 . 2 1387 153 153 ALA N N 126.7 . 1 1388 153 153 ALA H H 8.87 . 1 1389 153 153 ALA CA C 50.7 . 1 1390 153 153 ALA HA H 2.82 . 1 1391 153 153 ALA HB H 0.77 . 1 1392 153 153 ALA CB C 21.1 . 1 1393 154 154 ASN N N 112.7 . 1 1394 154 154 ASN H H 6.28 . 1 1395 154 154 ASN CA C 53.3 . 1 1396 154 154 ASN HA H 4.74 . 1 1397 154 154 ASN CB C 42.2 . 1 1398 154 154 ASN HB2 H 2.77 . 1 1399 154 154 ASN HB3 H 2.77 . 1 1400 155 155 ASN CA C 55.8 . 1 1401 155 155 ASN HA H 4.30 . 1 1402 155 155 ASN CB C 38.2 . 1 1403 155 155 ASN HB2 H 2.88 . 1 1404 155 155 ASN HB3 H 2.88 . 1 1405 156 156 GLN N N 124.2 . 1 1406 156 156 GLN H H 8.55 . 1 1407 156 156 GLN CA C 59.6 . 1 1408 156 156 GLN HA H 4.09 . 1 1409 156 156 GLN CB C 28.3 . 1 1410 156 156 GLN HB2 H 2.27 . 2 1411 156 156 GLN HB3 H 2.23 . 2 1412 156 156 GLN CG C 33.8 . 1 1413 156 156 GLN HG2 H 2.42 . 2 1414 156 156 GLN HG3 H 2.29 . 2 1415 156 156 GLN NE2 N 113.2 . 1 1416 156 156 GLN HE21 H 7.61 . 2 1417 156 156 GLN HE22 H 6.77 . 2 1418 157 157 THR N N 120.0 . 1 1419 157 157 THR H H 9.05 . 1 1420 157 157 THR CA C 66.3 . 1 1421 157 157 THR HA H 3.82 . 1 1422 157 157 THR CB C 67.8 . 1 1423 157 157 THR HB H 3.79 . 1 1424 157 157 THR HG2 H 1.07 . 1 1425 157 157 THR CG2 C 23.4 . 1 1426 158 158 LEU N N 113.0 . 1 1427 158 158 LEU H H 6.93 . 1 1428 158 158 LEU CA C 58.1 . 1 1429 158 158 LEU HA H 3.82 . 1 1430 158 158 LEU CB C 44.2 . 1 1431 158 158 LEU HB2 H 0.81 . 2 1432 158 158 LEU HB3 H 1.03 . 2 1433 158 158 LEU CG C 25.8 . 1 1434 158 158 LEU HG H 0.06 . 1 1435 158 158 LEU HD1 H -0.21 . 2 1436 158 158 LEU HD2 H 0.22 . 2 1437 158 158 LEU CD1 C 25.6 . 1 1438 158 158 LEU CD2 C 24.0 . 1 1439 159 159 PHE N N 108.1 . 1 1440 159 159 PHE H H 7.48 . 1 1441 159 159 PHE CA C 57.9 . 1 1442 159 159 PHE HA H 5.09 . 1 1443 159 159 PHE CB C 41.7 . 1 1444 159 159 PHE HB2 H 2.92 . 2 1445 159 159 PHE HB3 H 3.25 . 2 1446 159 159 PHE HD1 H 7.15 . 1 1447 159 159 PHE HD2 H 7.15 . 1 1448 159 159 PHE HE1 H 7.15 . 1 1449 159 159 PHE HE2 H 7.15 . 1 1450 159 159 PHE CD1 C 131.7 . 1 1451 159 159 PHE CE1 C 131.8 . 1 1452 159 159 PHE CZ C 129.3 . 1 1453 159 159 PHE HZ H 7.48 . 1 1454 160 160 GLU N N 118.4 . 1 1455 160 160 GLU H H 8.58 . 1 1456 160 160 GLU CA C 56.6 . 1 1457 160 160 GLU HA H 4.10 . 1 1458 160 160 GLU CB C 32.4 . 1 1459 160 160 GLU HB2 H 2.10 . 2 1460 160 160 GLU HB3 H 2.06 . 2 1461 160 160 GLU CG C 35.5 . 1 1462 160 160 GLU HG2 H 2.28 . 2 1463 160 160 GLU HG3 H 2.24 . 2 1464 161 161 THR N N 119.8 . 1 1465 161 161 THR H H 8.56 . 1 1466 161 161 THR CA C 63.8 . 1 1467 161 161 THR HA H 3.86 . 1 1468 161 161 THR CB C 68.4 . 1 1469 161 161 THR HB H 4.79 . 1 1470 161 161 THR HG2 H 1.28 . 1 1471 161 161 THR CG2 C 21.6 . 1 1472 163 163 TYR CA C 57.2 . 1 1473 163 163 TYR HA H 4.31 . 1 1474 163 163 TYR CB C 42.2 . 1 1475 163 163 TYR HB2 H 1.71 . 1 1476 163 163 TYR HB3 H 1.71 . 1 1477 163 163 TYR HD1 H 7.09 . 1 1478 163 163 TYR HD2 H 7.09 . 1 1479 163 163 TYR HE1 H 6.79 . 1 1480 163 163 TYR HE2 H 6.79 . 1 1481 163 163 TYR CD1 C 132.8 . 1 1482 163 163 TYR CE1 C 117.3 . 1 1483 164 164 LEU N N 117.0 . 1 1484 164 164 LEU H H 7.72 . 1 1485 164 164 LEU CA C 54.6 . 1 1486 164 164 LEU HA H 5.09 . 1 1487 164 164 LEU CB C 42.3 . 1 1488 164 164 LEU HB2 H 2.46 . 2 1489 164 164 LEU HB3 H 2.90 . 2 1490 164 164 LEU CG C 28.3 . 1 1491 164 164 LEU HG H 1.57 . 1 1492 164 164 LEU HD1 H 1.28 . 2 1493 164 164 LEU HD2 H 1.03 . 2 1494 164 164 LEU CD1 C 21.6 . 1 1495 164 164 LEU CD2 C 18.5 . 1 1496 165 165 ASP N N 118.8 . 1 1497 165 165 ASP H H 7.42 . 1 1498 168 168 VAL CA C 56.3 . 1 1499 168 168 VAL HA H 4.15 . 1 1500 168 168 VAL CB C 30.1 . 1 1501 168 168 VAL HB H 1.81 . 1 1502 168 168 VAL HG1 H 1.04 . 1 1503 168 168 VAL HG2 H 1.04 . 1 1504 168 168 VAL CG1 C 20.8 . 1 1505 168 168 VAL CG2 C 20.9 . 1 1506 169 169 GLU N N 120.0 . 1 1507 169 169 GLU H H 8.16 . 1 1508 169 169 GLU CA C 60.0 . 1 1509 169 169 GLU HA H 4.01 . 1 1510 169 169 GLU CB C 31.5 . 1 1511 169 169 GLU HB2 H 2.08 . 1 1512 169 169 GLU HB3 H 2.08 . 1 1513 169 169 GLU CG C 36.0 . 1 1514 169 169 GLU HG2 H 0.96 . 2 1515 169 169 GLU HG3 H 1.28 . 2 1516 170 170 ALA N N 120.0 . 1 1517 170 170 ALA H H 8.66 . 1 1518 170 170 ALA CA C 55.0 . 1 1519 170 170 ALA HA H 3.96 . 1 1520 170 170 ALA HB H 1.26 . 1 1521 170 170 ALA CB C 17.8 . 1 1522 171 171 ASN CA C 56.1 . 1 1523 171 171 ASN HA H 4.27 . 1 1524 171 171 ASN CB C 39.0 . 1 1525 171 171 ASN HB2 H 2.16 . 1 1526 171 171 ASN HB3 H 2.16 . 1 1527 172 172 GLU N N 121.9 . 1 1528 172 172 GLU H H 8.54 . 1 1529 172 172 GLU CA C 59.2 . 1 1530 172 172 GLU HA H 3.93 . 1 1531 172 172 GLU CB C 29.2 . 1 1532 172 172 GLU HB2 H 2.03 . 2 1533 172 172 GLU HB3 H 2.16 . 2 1534 172 172 GLU CG C 36.4 . 1 1535 172 172 GLU HG2 H 2.39 . 1 1536 172 172 GLU HG3 H 2.39 . 1 1537 173 173 MET N N 117.2 . 1 1538 173 173 MET H H 8.33 . 1 1539 173 173 MET CA C 57.4 . 1 1540 173 173 MET HA H 4.20 . 1 1541 173 173 MET CB C 32.0 . 1 1542 173 173 MET HB2 H 1.99 . 2 1543 173 173 MET HB3 H 2.13 . 2 1544 173 173 MET CG C 34.5 . 1 1545 173 173 MET HG2 H 2.47 . 2 1546 173 173 MET HG3 H 2.56 . 2 1547 174 174 LEU N N 119.9 . 1 1548 174 174 LEU H H 7.30 . 1 1549 174 174 LEU CA C 56.3 . 1 1550 174 174 LEU HA H 4.24 . 1 1551 174 174 LEU CB C 42.2 . 1 1552 174 174 LEU HB2 H 1.75 . 2 1553 174 174 LEU HB3 H 1.66 . 2 1554 174 174 LEU CG C 26.4 . 1 1555 174 174 LEU HG H 1.60 . 1 1556 174 174 LEU HD1 H 0.89 . 1 1557 174 174 LEU HD2 H 0.89 . 1 1558 174 174 LEU CD1 C 24.8 . 1 1559 174 174 LEU CD2 C 24.8 . 1 1560 175 175 GLY N N 106.8 . 1 1561 175 175 GLY H H 7.94 . 1 1562 175 175 GLY CA C 45.4 . 1 1563 175 175 GLY HA2 H 3.93 . 1 1564 175 175 GLY HA3 H 3.93 . 1 1565 176 176 ILE N N 119.3 . 1 1566 176 176 ILE H H 7.72 . 1 1567 176 176 ILE CA C 61.3 . 1 1568 176 176 ILE HA H 4.17 . 1 1569 176 176 ILE CB C 38.6 . 1 1570 176 176 ILE HB H 1.89 . 1 1571 176 176 ILE HG2 H 0.87 . 1 1572 176 176 ILE CG2 C 17.3 . 1 1573 176 176 ILE CG1 C 27.0 . 1 1574 176 176 ILE HG12 H 1.47 . 2 1575 176 176 ILE HG13 H 1.17 . 2 1576 176 176 ILE HD1 H 0.82 . 1 1577 176 176 ILE CD1 C 12.8 . 1 1578 177 177 SER N N 117.9 . 1 1579 177 177 SER H H 8.22 . 1 1580 177 177 SER CA C 58.8 . 1 1581 177 177 SER HA H 4.50 . 1 1582 177 177 SER CB C 64.1 . 1 1583 177 177 SER HB2 H 3.88 . 2 1584 177 177 SER HB3 H 3.85 . 2 1585 178 178 GLY CA C 45.4 . 1 1586 178 178 GLY HA2 H 3.93 . 2 1587 178 178 GLY HA3 H 3.98 . 2 1588 179 179 ILE N N 120.0 . 1 1589 179 179 ILE H H 7.90 . 1 1590 179 179 ILE CA C 60.9 . 1 1591 179 179 ILE HA H 4.13 . 1 1592 179 179 ILE CB C 38.4 . 1 1593 179 179 ILE HB H 1.80 . 1 1594 179 179 ILE HG2 H 0.86 . 1 1595 179 179 ILE CG2 C 17.5 . 1 1596 179 179 ILE CG1 C 27.2 . 1 1597 179 179 ILE HG12 H 1.43 . 2 1598 179 179 ILE HG13 H 1.12 . 2 1599 179 179 ILE HD1 H 0.81 . 1 1600 179 179 ILE CD1 C 13.0 . 1 1601 180 180 LEU N N 125.3 . 1 1602 180 180 LEU H H 8.23 . 1 1603 180 180 LEU CA C 54.6 . 1 1604 180 180 LEU HA H 4.38 . 1 1605 180 180 LEU CB C 42.2 . 1 1606 180 180 LEU HB2 H 1.58 . 1 1607 180 180 LEU HB3 H 1.58 . 1 1608 180 180 LEU CG C 27.0 . 1 1609 180 180 LEU HG H 1.61 . 1 1610 180 180 LEU HD1 H 0.84 . 2 1611 180 180 LEU HD2 H 0.83 . 2 1612 180 180 LEU CD1 C 23.4 . 1 1613 180 180 LEU CD2 C 23.4 . 1 1614 181 181 ALA N N 125.6 . 1 1615 181 181 ALA H H 8.19 . 1 1616 181 181 ALA CA C 50.5 . 1 1617 181 181 ALA HA H 4.55 . 1 1618 181 181 ALA HB H 1.31 . 1 1619 181 181 ALA CB C 18.1 . 1 1620 183 183 ALA CA C 52.5 . 1 1621 183 183 ALA HA H 4.28 . 1 1622 183 183 ALA HB H 1.38 . 1 1623 183 183 ALA CB C 19.1 . 1 1624 184 184 GLY N N 107.6 . 1 1625 184 184 GLY H H 8.35 . 1 1626 184 184 GLY CA C 44.8 . 1 1627 184 184 GLY HA2 H 3.96 . 2 1628 184 184 GLY HA3 H 3.90 . 2 1629 185 185 ARG CA C 63.0 . 1 1630 185 185 ARG HA H 4.37 . 1 1631 185 185 ARG CB C 31.8 . 1 1632 185 185 ARG HB2 H 1.87 . 2 1633 185 185 ARG HB3 H 2.24 . 2 1634 185 185 ARG CG C 26.1 . 1 1635 185 185 ARG HG2 H 1.64 . 2 1636 185 185 ARG HG3 H 1.74 . 2 1637 185 185 ARG CD C 43.4 . 1 1638 185 185 ARG HD2 H 3.01 . 2 1639 185 185 ARG HD3 H 3.11 . 2 1640 186 186 ALA N N 124.0 . 1 1641 186 186 ALA H H 8.39 . 1 1642 186 186 ALA CA C 52.5 . 1 1643 186 186 ALA HA H 4.25 . 1 1644 186 186 ALA HB H 1.35 . 1 1645 186 186 ALA CB C 18.9 . 1 1646 187 187 LEU N N 121.0 . 1 1647 187 187 LEU H H 8.17 . 1 1648 187 187 LEU CA C 56.6 . 1 1649 187 187 LEU HA H 4.07 . 1 1650 187 187 LEU CB C 36.8 . 1 1651 187 187 LEU HB2 H 1.83 . 1 1652 187 187 LEU HB3 H 1.83 . 1 1653 187 187 LEU CG C 26.4 . 1 1654 187 187 LEU HG H 1.53 . 1 1655 187 187 LEU HD1 H 0.86 . 2 1656 187 187 LEU HD2 H 0.95 . 2 1657 187 187 LEU CD1 C 23.0 . 1 1658 187 187 LEU CD2 C 24.0 . 1 1659 188 188 GLU N N 121.0 . 1 1660 188 188 GLU H H 8.29 . 1 1661 188 188 GLU CA C 56.6 . 1 1662 188 188 GLU HA H 4.38 . 1 1663 188 188 GLU CB C 30.3 . 1 1664 188 188 GLU HB2 H 2.03 . 1 1665 188 188 GLU HB3 H 2.03 . 1 1666 188 188 GLU CG C 36.0 . 1 1667 188 188 GLU HG2 H 2.31 . 2 1668 188 188 GLU HG3 H 2.41 . 2 stop_ save_