data_6300 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Solution structure of rat Kalirin N-terminal SH3 domain ; _BMRB_accession_number 6300 _BMRB_flat_file_name bmr6300.str _Entry_type original _Submission_date 2004-08-26 _Accession_date 2004-08-26 _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 Schiller M. R. . 2 Chakrabarti K. . . 3 King G. F. . 4 Schiller N. I. . 5 Eipper B. A. . 6 Maciejewski M. W. . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 414 "13C chemical shifts" 314 "15N chemical shifts" 78 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2007-03-22 original BMRB . stop_ _Original_release_date 2004-08-26 save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title ; Regulation of RhoGEF activity by intramolecular and intermolecular SH3 domain interactions ; _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 16644733 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Schiller M. R. . 2 Chakrabarti K. . . 3 King G. F. . 4 Schiller N. I. . 5 Eipper B. A. . 6 Maciejewski M. W. . stop_ _Journal_abbreviation 'J. Biol. Chem.' _Journal_volume 281 _Journal_issue 27 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 18774 _Page_last 18786 _Year 2006 _Details . loop_ _Keyword SH3 cis-Proline stop_ save_ ################################## # Molecular system description # ################################## save_system_SH3 _Saveframe_category molecular_system _Mol_system_name Kalirin _Abbreviation_common Kalirin _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label Kalirin $SH3 stop_ _System_molecular_weight . _System_physical_state native _System_oligomer_state monomer _System_paramagnetic no _System_thiol_state 'all free' _Database_query_date . _Details . save_ ######################## # Monomeric polymers # ######################## save_SH3 _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common Kalirin _Abbreviation_common Kalirin _Molecular_mass . _Mol_thiol_state 'all free' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 82 _Mol_residue_sequence ; GPLGSPGIPGSTLSGGCELT VVLQDFSAAHSSELSIQVGQ TVELLERPSERPGWCLVRTT ERSPPQEGLVPSSTLCISHS RS ; loop_ _Residue_seq_code _Residue_label 1 GLY 2 PRO 3 LEU 4 GLY 5 SER 6 PRO 7 GLY 8 ILE 9 PRO 10 GLY 11 SER 12 THR 13 LEU 14 SER 15 GLY 16 GLY 17 CYS 18 GLU 19 LEU 20 THR 21 VAL 22 VAL 23 LEU 24 GLN 25 ASP 26 PHE 27 SER 28 ALA 29 ALA 30 HIS 31 SER 32 SER 33 GLU 34 LEU 35 SER 36 ILE 37 GLN 38 VAL 39 GLY 40 GLN 41 THR 42 VAL 43 GLU 44 LEU 45 LEU 46 GLU 47 ARG 48 PRO 49 SER 50 GLU 51 ARG 52 PRO 53 GLY 54 TRP 55 CYS 56 LEU 57 VAL 58 ARG 59 THR 60 THR 61 GLU 62 ARG 63 SER 64 PRO 65 PRO 66 GLN 67 GLU 68 GLY 69 LEU 70 VAL 71 PRO 72 SER 73 SER 74 THR 75 LEU 76 CYS 77 ILE 78 SER 79 HIS 80 SER 81 ARG 82 SER stop_ _Sequence_homology_query_date 2008-08-19 _Sequence_homology_query_revised_last_date 2008-08-19 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 1U3O 'Solution Structure Of Rat Kalirin N-Terminal Sh3 Domain' 100.00 82 100.00 100.00 8.84e-38 stop_ save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species $SH3 10116 'Norway rat' Eukaryota Metazoa Rattus norvegicus 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 $SH3 'recombinant technology' . . . . . 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 $SH3 0.4 mM [U-15N] HEPES 50 mM . NaCl 150 mM . dithiotheitol 1 mM . H2O 92.5 % . D2O 7.5 % . stop_ save_ save_sample_2 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $SH3 1 mM '[U-13C; U-15N]' HEPES 50 mM . NaCl 150 mM . dithiotheitol 1 mM . H2O 92.5 % . D2O 7.5 % . stop_ save_ ############################ # Computer software used # ############################ save_DYANA _Saveframe_category software _Name DYANA _Version 1.5 loop_ _Task 'structure solution' stop_ _Details 'Guntert, P., Mumenthaler, C., and Wuthrich, K.' save_ save_cyana _Saveframe_category software _Name CYANA _Version 1.0.0 loop_ _Task 'structure solution' stop_ _Details Guntert,P., save_ save_X-PLOR _Saveframe_category software _Name X-PLOR _Version 3.851 loop_ _Task refinement stop_ _Details 'Brunger, A.T.' save_ save_NMRPipe _Saveframe_category software _Name NMRPipe _Version 2.3 loop_ _Task processing stop_ _Details 'Delaglio,F., Grzesiek,S., Vuister,G.W., Zhu,G., Pfeifer,J., and Bax,A.' save_ save_XEASY _Saveframe_category software _Name XEASY _Version 1.4 loop_ _Task 'data analysis' stop_ _Details 'Bartels,C., Xia,T., Billeter,M., Guntert,P., and Wuthrich,K.' save_ save_TALOS _Saveframe_category software _Name TALOS _Version . loop_ _Task 'structure solution' stop_ _Details 'Cornilescu,G., Delaglio,F., and Bax,A.' save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer _Saveframe_category NMR_spectrometer _Manufacturer Varian _Model INOVA _Field_strength 600 _Details . save_ ############################# # NMR applied experiments # ############################# save_HNHA_1 _Saveframe_category NMR_applied_experiment _Experiment_name HNHA _Sample_label . save_ save_HNHB_2 _Saveframe_category NMR_applied_experiment _Experiment_name HNHB _Sample_label . save_ save_3D_HN(CO)CACB_3 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HN(CO)CACB' _Sample_label . save_ save_3D_C(CO)NH-TOCSY_4 _Saveframe_category NMR_applied_experiment _Experiment_name '3D C(CO)NH-TOCSY' _Sample_label . save_ save_3D_15N_NOESY-HSQC_5 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 15N NOESY-HSQC' _Sample_label . save_ save_3D_13C_HSQC-NOESY_6 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 13C HSQC-NOESY' _Sample_label . save_ save_3D_HNCACB_7 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCACB' _Sample_label . save_ save_HC(CO)NH-TOCSY_8 _Saveframe_category NMR_applied_experiment _Experiment_name HC(CO)NH-TOCSY _Sample_label . save_ save_HCCH-COSY_9 _Saveframe_category NMR_applied_experiment _Experiment_name HCCH-COSY _Sample_label . save_ ####################### # Sample conditions # ####################### save_sample_cond_1 _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units 'ionic strength' 200 . mM pH 6.4 . pH 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 . C 13 . ppm . . . . . . . H 1 . ppm . . . . . . . N 15 . ppm . . . . . . 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_ _Experiment_label HNHA stop_ loop_ _Sample_label $sample_1 stop_ _Sample_conditions_label $sample_cond_1 _Chem_shift_reference_set_label $chemical_shift_reference _Mol_system_component_name Kalirin _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 GLY H H 8.8 . 1 2 . 1 GLY CA C 45.5 . 1 3 . 1 GLY HA2 H 4.17 . 2 4 . 2 PRO CD C 49.7 . 1 5 . 2 PRO CA C 63.2 . 1 6 . 2 PRO HA H 4.51 . 1 7 . 2 PRO CB C 32.3 . 1 8 . 2 PRO HB2 H 2.35 . 2 9 . 2 PRO HB3 H 1.97 . 2 10 . 2 PRO CG C 26.7 . 1 11 . 2 PRO HG2 H 2.06 . 2 12 . 2 PRO HD2 H 3.61 . 2 13 . 2 PRO C C 177.0 . 1 14 . 3 LEU N N 122.1 . 1 15 . 3 LEU H H 8.50 . 1 16 . 3 LEU CA C 55.5 . 1 17 . 3 LEU HA H 4.36 . 1 18 . 3 LEU CB C 42.4 . 1 19 . 3 LEU HB2 H 1.75 . 2 20 . 3 LEU HB3 H 1.64 . 2 21 . 3 LEU CG C 27.0 . 1 22 . 3 LEU HG H 1.68 . 1 23 . 3 LEU HD1 H 0.90 . 2 24 . 3 LEU HD2 H 0.80 . 2 25 . 3 LEU CD1 C 24.9 . 1 26 . 3 LEU CD2 C 23.4 . 1 27 . 3 LEU C C 177.9 . 1 28 . 4 GLY N N 109.7 . 1 29 . 4 GLY H H 8.36 . 1 30 . 4 GLY CA C 45.5 . 1 31 . 4 GLY HA2 H 4.00 . 2 32 . 4 GLY C C 173.8 . 1 33 . 5 SER N N 116.8 . 1 34 . 5 SER H H 8.17 . 1 35 . 5 SER CA C 56.2 . 1 36 . 5 SER HA H 4.82 . 1 37 . 5 SER CB C 63.5 . 1 38 . 5 SER HB2 H 3.85 . 2 39 . 5 SER HB3 H 3.89 . 2 40 . 6 PRO CD C 50.7 . 1 41 . 6 PRO CA C 63.8 . 1 42 . 6 PRO HA H 4.47 . 1 43 . 6 PRO CB C 32.0 . 1 44 . 6 PRO HB2 H 2.34 . 2 45 . 6 PRO HB3 H 2.01 . 2 46 . 6 PRO CG C 26.7 . 1 47 . 6 PRO HG2 H 2.07 . 2 48 . 6 PRO HD2 H 3.76 . 2 49 . 6 PRO HD3 H 3.85 . 2 50 . 6 PRO C C 177.4 . 1 51 . 7 GLY N N 108.9 . 1 52 . 7 GLY H H 8.37 . 1 53 . 7 GLY CA C 44.9 . 1 54 . 7 GLY HA2 H 3.94 . 2 55 . 7 GLY C C 173.7 . 1 56 . 8 ILE N N 121.7 . 1 57 . 8 ILE H H 8.00 . 1 58 . 8 ILE CA C 58.4 . 1 59 . 8 ILE HA H 4.51 . 1 60 . 8 ILE CB C 38.7 . 1 61 . 8 ILE HB H 1.89 . 1 62 . 8 ILE HG2 H 0.96 . 1 63 . 8 ILE CG2 C 17.4 . 1 64 . 8 ILE CG1 C 27.5 . 1 65 . 8 ILE HG12 H 1.49 . 2 66 . 8 ILE HG13 H 1.18 . 2 67 . 8 ILE HD1 H 0.87 . 1 68 . 8 ILE CD1 C 13.4 . 1 69 . 9 PRO CD C 51.1 . 1 70 . 9 PRO CA C 64.0 . 1 71 . 9 PRO HA H 4.47 . 1 72 . 9 PRO CB C 32.0 . 1 73 . 9 PRO HB2 H 2.35 . 2 74 . 9 PRO HB3 H 2.00 . 2 75 . 9 PRO CG C 27.3 . 1 76 . 9 PRO HG2 H 2.06 . 2 77 . 9 PRO HD2 H 3.73 . 2 78 . 9 PRO HD3 H 3.86 . 2 79 . 9 PRO C C 177.6 . 1 80 . 10 GLY N N 110.0 . 1 81 . 10 GLY H H 8.55 . 1 82 . 10 GLY CA C 45.5 . 1 83 . 10 GLY HA2 H 3.97 . 2 84 . 10 GLY C C 174.4 . 1 85 . 11 SER N N 115.3 . 1 86 . 11 SER H H 8.16 . 1 87 . 11 SER CA C 58.5 . 1 88 . 11 SER HA H 4.58 . 1 89 . 11 SER CB C 64.1 . 1 90 . 11 SER HB2 H 3.97 . 2 91 . 11 SER HB3 H 3.91 . 2 92 . 11 SER C C 175.0 . 1 93 . 12 THR N N 116.2 . 1 94 . 12 THR H H 8.29 . 1 95 . 12 THR CA C 62.1 . 1 96 . 12 THR HA H 4.39 . 1 97 . 12 THR CB C 69.7 . 1 98 . 12 THR HB H 4.27 . 1 99 . 12 THR HG2 H 1.22 . 1 100 . 12 THR CG2 C 21.6 . 1 101 . 12 THR C C 174.7 . 1 102 . 13 LEU N N 124.4 . 1 103 . 13 LEU H H 8.27 . 1 104 . 13 LEU CA C 55.4 . 1 105 . 13 LEU HA H 4.46 . 1 106 . 13 LEU CB C 42.4 . 1 107 . 13 LEU HB2 H 1.69 . 2 108 . 13 LEU HB3 H 1.55 . 2 109 . 13 LEU CG C 27.0 . 1 110 . 13 LEU HG H 1.71 . 1 111 . 13 LEU HD1 H 0.95 . 2 112 . 13 LEU HD2 H 0.93 . 2 113 . 13 LEU CD1 C 25.0 . 1 114 . 13 LEU CD2 C 23.5 . 1 115 . 13 LEU C C 177.5 . 1 116 . 14 SER N N 116.7 . 1 117 . 14 SER H H 8.36 . 1 118 . 14 SER CA C 58.4 . 1 119 . 14 SER HA H 4.54 . 1 120 . 14 SER CB C 64.0 . 1 121 . 14 SER HB2 H 3.89 . 2 122 . 14 SER C C 175.2 . 1 123 . 15 GLY N N 111.2 . 1 124 . 15 GLY H H 8.45 . 1 125 . 15 GLY CA C 45.5 . 1 126 . 15 GLY HA3 H 4.02 . 2 127 . 15 GLY C C 174.7 . 1 128 . 16 GLY N N 108.8 . 1 129 . 16 GLY H H 8.31 . 1 130 . 16 GLY CA C 45.5 . 1 131 . 16 GLY HA3 H 4.01 . 2 132 . 16 GLY C C 173.8 . 1 133 . 17 CYS N N 118.8 . 1 134 . 17 CYS H H 8.23 . 1 135 . 17 CYS CA C 58.4 . 1 136 . 17 CYS HA H 4.55 . 1 137 . 17 CYS CB C 28.7 . 1 138 . 17 CYS HB2 H 2.87 . 2 139 . 17 CYS HB3 H 2.91 . 2 140 . 17 CYS C C 174.0 . 1 141 . 18 GLU N N 124.9 . 1 142 . 18 GLU H H 8.79 . 1 143 . 18 GLU CA C 56.3 . 1 144 . 18 GLU HA H 4.46 . 1 145 . 18 GLU CB C 30.7 . 1 146 . 18 GLU HB2 H 1.98 . 2 147 . 18 GLU HB3 H 2.14 . 2 148 . 18 GLU CG C 36.1 . 1 149 . 18 GLU HG2 H 2.26 . 2 150 . 18 GLU C C 174.9 . 1 151 . 19 LEU N N 125.1 . 1 152 . 19 LEU H H 8.35 . 1 153 . 19 LEU CA C 53.9 . 1 154 . 19 LEU HA H 5.06 . 1 155 . 19 LEU CB C 43.3 . 1 156 . 19 LEU HB2 H 1.76 . 2 157 . 19 LEU HB3 H 1.28 . 2 158 . 19 LEU CG C 26.9 . 1 159 . 19 LEU HG H 1.67 . 1 160 . 19 LEU HD1 H 0.91 . 2 161 . 19 LEU HD2 H 0.77 . 2 162 . 19 LEU CD1 C 25.3 . 1 163 . 19 LEU CD2 C 23.6 . 1 164 . 19 LEU C C 177.2 . 1 165 . 20 THR N N 117.8 . 1 166 . 20 THR H H 9.19 . 1 167 . 20 THR CA C 60.2 . 1 168 . 20 THR HA H 4.78 . 1 169 . 20 THR CB C 70.3 . 1 170 . 20 THR HB H 3.94 . 1 171 . 20 THR HG2 H 1.06 . 1 172 . 20 THR CG2 C 21.5 . 1 173 . 20 THR C C 171.5 . 1 174 . 21 VAL N N 125.1 . 1 175 . 21 VAL H H 8.22 . 1 176 . 21 VAL CA C 61.0 . 1 177 . 21 VAL HA H 4.88 . 1 178 . 21 VAL CB C 34.3 . 1 179 . 21 VAL HB H 1.93 . 1 180 . 21 VAL HG1 H 0.90 . 2 181 . 21 VAL HG2 H 0.97 . 2 182 . 21 VAL CG1 C 21.6 . 1 183 . 21 VAL CG2 C 21.6 . 1 184 . 21 VAL C C 175.0 . 1 185 . 22 VAL N N 126.5 . 1 186 . 22 VAL H H 8.66 . 1 187 . 22 VAL CA C 63.5 . 1 188 . 22 VAL HA H 4.12 . 1 189 . 22 VAL CB C 32.5 . 1 190 . 22 VAL HB H 2.26 . 1 191 . 22 VAL HG1 H 0.92 . 2 192 . 22 VAL HG2 H 0.85 . 2 193 . 22 VAL CG1 C 22.9 . 1 194 . 22 VAL CG2 C 23.9 . 1 195 . 22 VAL C C 177.4 . 1 196 . 23 LEU N N 128.2 . 1 197 . 23 LEU H H 9.45 . 1 198 . 23 LEU CA C 55.1 . 1 199 . 23 LEU HA H 4.45 . 1 200 . 23 LEU CB C 44.1 . 1 201 . 23 LEU HB2 H 1.56 . 2 202 . 23 LEU CG C 26.7 . 1 203 . 23 LEU HG H 1.54 . 1 204 . 23 LEU HD1 H 0.80 . 2 205 . 23 LEU HD2 H 0.81 . 2 206 . 23 LEU CD1 C 25.1 . 1 207 . 23 LEU CD2 C 23.2 . 1 208 . 23 LEU C C 176.3 . 1 209 . 24 GLN N N 118.6 . 1 210 . 24 GLN H H 7.39 . 1 211 . 24 GLN CA C 54.2 . 1 212 . 24 GLN HA H 4.45 . 1 213 . 24 GLN CB C 33.2 . 1 214 . 24 GLN HB2 H 1.76 . 2 215 . 24 GLN HB3 H 1.88 . 2 216 . 24 GLN CG C 33.4 . 1 217 . 24 GLN HG2 H 2.33 . 2 218 . 24 GLN HG3 H 2.44 . 2 219 . 24 GLN NE2 N 111.2 . 1 220 . 24 GLN HE21 H 6.74 . 2 221 . 24 GLN HE22 H 7.42 . 2 222 . 24 GLN C C 172.0 . 1 223 . 25 ASP N N 120.1 . 1 224 . 25 ASP H H 8.15 . 1 225 . 25 ASP CA C 54.8 . 1 226 . 25 ASP HA H 4.61 . 1 227 . 25 ASP CB C 42.0 . 1 228 . 25 ASP HB2 H 2.75 . 2 229 . 25 ASP HB3 H 2.53 . 2 230 . 25 ASP C C 176.4 . 1 231 . 26 PHE N N 121.7 . 1 232 . 26 PHE H H 8.47 . 1 233 . 26 PHE CA C 58.4 . 1 234 . 26 PHE HA H 4.69 . 1 235 . 26 PHE CB C 42.3 . 1 236 . 26 PHE HB2 H 3.25 . 2 237 . 26 PHE HB3 H 2.88 . 2 238 . 26 PHE HD1 H 7.60 . 1 239 . 26 PHE HD2 H 7.60 . 1 240 . 26 PHE HE1 H 7.84 . 1 241 . 26 PHE HE2 H 7.84 . 1 242 . 26 PHE C C 173.2 . 1 243 . 27 SER N N 124.2 . 1 244 . 27 SER H H 7.90 . 1 245 . 27 SER CA C 55.9 . 1 246 . 27 SER HA H 4.56 . 1 247 . 27 SER CB C 64.1 . 1 248 . 27 SER HB2 H 3.43 . 2 249 . 27 SER HB3 H 3.58 . 2 250 . 27 SER C C 171.6 . 1 251 . 28 ALA N N 127.4 . 1 252 . 28 ALA H H 8.33 . 1 253 . 28 ALA CA C 52.9 . 1 254 . 28 ALA HA H 4.06 . 1 255 . 28 ALA HB H 1.34 . 1 256 . 28 ALA CB C 20.5 . 1 257 . 28 ALA C C 178.1 . 1 258 . 29 ALA N N 124.5 . 1 259 . 29 ALA H H 9.13 . 1 260 . 29 ALA CA C 51.7 . 1 261 . 29 ALA HA H 4.50 . 1 262 . 29 ALA HB H 1.42 . 1 263 . 29 ALA CB C 20.5 . 1 264 . 29 ALA C C 176.3 . 1 265 . 30 HIS N N 117.0 . 1 266 . 30 HIS H H 7.46 . 1 267 . 30 HIS CA C 54.5 . 1 268 . 30 HIS HA H 4.47 . 1 269 . 30 HIS CB C 33.7 . 1 270 . 30 HIS HB2 H 1.87 . 2 271 . 30 HIS HB3 H 1.76 . 2 272 . 30 HIS HD2 H 7.33 . 1 273 . 30 HIS HE1 H 7.60 . 1 274 . 31 SER N N 124.9 . 1 275 . 31 SER H H 8.57 . 1 276 . 31 SER HA H 4.97 . 1 277 . 31 SER HB2 H 4.36 . 2 278 . 31 SER HB3 H 4.07 . 2 279 . 31 SER C C 176.1 . 1 280 . 32 SER N N 115.6 . 1 281 . 32 SER H H 8.55 . 1 282 . 32 SER CA C 59.6 . 1 283 . 32 SER HA H 4.28 . 1 284 . 32 SER CB C 65.2 . 1 285 . 32 SER HB2 H 3.84 . 2 286 . 32 SER C C 175.1 . 1 287 . 33 GLU N N 123.7 . 1 288 . 33 GLU H H 7.99 . 1 289 . 33 GLU CA C 55.1 . 1 290 . 33 GLU HA H 5.40 . 1 291 . 33 GLU CB C 32.6 . 1 292 . 33 GLU HB2 H 2.56 . 2 293 . 33 GLU CG C 36.4 . 1 294 . 33 GLU HG2 H 2.45 . 2 295 . 33 GLU C C 174.5 . 1 296 . 34 LEU N N 123.2 . 1 297 . 34 LEU H H 8.10 . 1 298 . 34 LEU CA C 53.2 . 1 299 . 34 LEU HA H 4.75 . 1 300 . 34 LEU CB C 46.6 . 1 301 . 34 LEU HB2 H 1.59 . 2 302 . 34 LEU HB3 H 0.77 . 2 303 . 34 LEU CG C 26.2 . 1 304 . 34 LEU HG H 1.48 . 1 305 . 34 LEU HD1 H 0.61 . 2 306 . 34 LEU HD2 H 0.81 . 2 307 . 34 LEU CD1 C 26.5 . 1 308 . 34 LEU CD2 C 24.6 . 1 309 . 34 LEU C C 174.4 . 1 310 . 35 SER N N 119.8 . 1 311 . 35 SER H H 8.19 . 1 312 . 35 SER CA C 59.0 . 1 313 . 35 SER HA H 5.11 . 1 314 . 35 SER CB C 63.0 . 1 315 . 35 SER HB2 H 4.05 . 2 316 . 35 SER HB3 H 3.89 . 2 317 . 35 SER C C 174.2 . 1 318 . 36 ILE N N 118.1 . 1 319 . 36 ILE H H 9.11 . 1 320 . 36 ILE CA C 60.3 . 1 321 . 36 ILE HA H 5.05 . 1 322 . 36 ILE CB C 43.5 . 1 323 . 36 ILE HB H 1.97 . 1 324 . 36 ILE HG2 H 0.83 . 1 325 . 36 ILE CG2 C 18.7 . 1 326 . 36 ILE CG1 C 25.8 . 1 327 . 36 ILE HG12 H 1.78 . 2 328 . 36 ILE HG13 H 1.61 . 2 329 . 36 ILE HD1 H 1.00 . 1 330 . 36 ILE CD1 C 13.2 . 1 331 . 36 ILE C C 175.3 . 1 332 . 37 GLN N N 119.0 . 1 333 . 37 GLN H H 8.21 . 1 334 . 37 GLN CA C 53.4 . 1 335 . 37 GLN HA H 5.35 . 1 336 . 37 GLN CB C 33.8 . 1 337 . 37 GLN HB2 H 2.06 . 2 338 . 37 GLN HB3 H 1.85 . 2 339 . 37 GLN CG C 34.4 . 1 340 . 37 GLN HG2 H 2.34 . 2 341 . 37 GLN HG3 H 2.21 . 2 342 . 37 GLN NE2 N 47.1 . 1 343 . 37 GLN HE21 H 6.71 . 2 344 . 37 GLN HE22 H 7.57 . 2 345 . 37 GLN C C 174.8 . 1 346 . 38 VAL N N 119.6 . 1 347 . 38 VAL H H 8.34 . 1 348 . 38 VAL CA C 64.9 . 1 349 . 38 VAL HA H 3.15 . 1 350 . 38 VAL CB C 32.0 . 1 351 . 38 VAL HB H 1.84 . 1 352 . 38 VAL HG1 H 0.96 . 2 353 . 38 VAL HG2 H 0.92 . 2 354 . 38 VAL CG1 C 22.3 . 1 355 . 38 VAL CG2 C 20.9 . 1 356 . 38 VAL C C 177.3 . 1 357 . 39 GLY N N 114.8 . 1 358 . 39 GLY H H 8.77 . 1 359 . 39 GLY CA C 44.7 . 1 360 . 39 GLY HA2 H 4.41 . 2 361 . 39 GLY HA3 H 3.56 . 2 362 . 39 GLY C C 174.5 . 1 363 . 40 GLN N N 122.0 . 1 364 . 40 GLN H H 7.99 . 1 365 . 40 GLN CA C 56.5 . 1 366 . 40 GLN HA H 4.36 . 1 367 . 40 GLN CB C 30.0 . 1 368 . 40 GLN HB2 H 2.05 . 2 369 . 40 GLN HB3 H 2.35 . 2 370 . 40 GLN CG C 34.1 . 1 371 . 40 GLN HG2 H 2.40 . 2 372 . 40 GLN HG3 H 2.57 . 2 373 . 40 GLN NE2 N 110.2 . 1 374 . 40 GLN HE21 H 7.71 . 2 375 . 40 GLN HE22 H 7.22 . 2 376 . 40 GLN C C 174.8 . 1 377 . 41 THR N N 118.8 . 1 378 . 41 THR H H 8.77 . 1 379 . 41 THR CA C 62.4 . 1 380 . 41 THR HA H 5.13 . 1 381 . 41 THR CB C 69.6 . 1 382 . 41 THR HB H 3.96 . 1 383 . 41 THR HG2 H 1.18 . 1 384 . 41 THR CG2 C 22.3 . 1 385 . 41 THR C C 175.5 . 1 386 . 42 VAL N N 120.8 . 1 387 . 42 VAL H H 9.16 . 1 388 . 42 VAL CA C 58.6 . 1 389 . 42 VAL HA H 5.06 . 1 390 . 42 VAL CB C 35.6 . 1 391 . 42 VAL HB H 2.10 . 1 392 . 42 VAL HG1 H 0.73 . 2 393 . 42 VAL HG2 H 0.60 . 2 394 . 42 VAL CG1 C 21.7 . 1 395 . 42 VAL CG2 C 18.6 . 1 396 . 42 VAL C C 173.1 . 1 397 . 43 GLU N N 121.4 . 1 398 . 43 GLU H H 9.43 . 1 399 . 43 GLU CA C 54.3 . 1 400 . 43 GLU HA H 4.75 . 1 401 . 43 GLU CB C 31.9 . 1 402 . 43 GLU HB2 H 1.93 . 2 403 . 43 GLU HB3 H 1.68 . 2 404 . 43 GLU CG C 36.1 . 1 405 . 43 GLU HG2 H 2.15 . 2 406 . 43 GLU HG3 H 1.87 . 2 407 . 43 GLU C C 175.8 . 1 408 . 44 LEU N N 127.8 . 1 409 . 44 LEU H H 8.91 . 1 410 . 44 LEU CA C 55.7 . 1 411 . 44 LEU HA H 4.36 . 1 412 . 44 LEU CB C 42.3 . 1 413 . 44 LEU HB2 H 1.88 . 2 414 . 44 LEU HB3 H 1.37 . 2 415 . 44 LEU CG C 28.1 . 1 416 . 44 LEU HG H 1.47 . 1 417 . 44 LEU HD1 H 0.83 . 2 418 . 44 LEU HD2 H 0.77 . 2 419 . 44 LEU CD1 C 25.3 . 1 420 . 44 LEU CD2 C 24.8 . 1 421 . 44 LEU C C 175.9 . 1 422 . 45 LEU N N 126.9 . 1 423 . 45 LEU H H 8.84 . 1 424 . 45 LEU CA C 56.2 . 1 425 . 45 LEU HA H 4.55 . 1 426 . 45 LEU CB C 42.7 . 1 427 . 45 LEU HB2 H 1.66 . 2 428 . 45 LEU HB3 H 1.50 . 2 429 . 45 LEU CG C 26.5 . 1 430 . 45 LEU HG H 1.64 . 1 431 . 45 LEU HD1 H 0.91 . 2 432 . 45 LEU HD2 H 0.72 . 2 433 . 45 LEU CD1 C 25.5 . 1 434 . 45 LEU CD2 C 22.1 . 1 435 . 45 LEU C C 177.4 . 1 436 . 46 GLU N N 116.0 . 1 437 . 46 GLU H H 7.91 . 1 438 . 46 GLU CA C 55.8 . 1 439 . 46 GLU HA H 4.53 . 1 440 . 46 GLU CB C 33.3 . 1 441 . 46 GLU HB2 H 2.09 . 2 442 . 46 GLU HB3 H 1.97 . 2 443 . 46 GLU CG C 36.1 . 1 444 . 46 GLU HG2 H 2.15 . 2 445 . 47 ARG CA C 53.9 . 1 446 . 47 ARG HA H 4.95 . 1 447 . 47 ARG CB C 31.0 . 1 448 . 47 ARG HB2 H 1.85 . 2 449 . 47 ARG HB3 H 1.75 . 2 450 . 47 ARG CG C 28.1 . 1 451 . 47 ARG HG2 H 1.66 . 2 452 . 47 ARG CD C 44.1 . 1 453 . 47 ARG HD2 H 3.19 . 2 454 . 48 PRO CA C 62.8 . 1 455 . 48 PRO HA H 4.34 . 1 456 . 48 PRO CB C 33.3 . 1 457 . 48 PRO HB2 H 1.81 . 2 458 . 48 PRO HB3 H 1.83 . 2 459 . 48 PRO CG C 23.4 . 1 460 . 48 PRO HG2 H 1.26 . 2 461 . 48 PRO HD2 H 4.11 . 2 462 . 48 PRO C C 178.8 . 1 463 . 49 SER N N 121.7 . 1 464 . 49 SER H H 8.90 . 1 465 . 49 SER CA C 60.1 . 1 466 . 49 SER HA H 4.17 . 1 467 . 49 SER CB C 63.5 . 1 468 . 49 SER HB2 H 3.94 . 2 469 . 49 SER C C 176.1 . 1 470 . 50 GLU N N 119.3 . 1 471 . 50 GLU H H 9.01 . 1 472 . 50 GLU CA C 57.3 . 1 473 . 50 GLU HA H 4.26 . 1 474 . 50 GLU CB C 29.2 . 1 475 . 50 GLU HB2 H 2.13 . 2 476 . 50 GLU HB3 H 2.00 . 2 477 . 50 GLU CG C 36.3 . 1 478 . 50 GLU HG2 H 2.27 . 2 479 . 50 GLU C C 175.9 . 1 480 . 51 ARG N N 119.7 . 1 481 . 51 ARG H H 7.49 . 1 482 . 51 ARG CA C 52.4 . 1 483 . 51 ARG HA H 4.75 . 1 484 . 51 ARG CB C 31.3 . 1 485 . 51 ARG HB2 H 1.69 . 2 486 . 51 ARG HB3 H 1.43 . 2 487 . 51 ARG CG C 26.4 . 1 488 . 51 ARG HG2 H 1.26 . 2 489 . 51 ARG HG3 H 1.36 . 2 490 . 51 ARG CD C 42.7 . 1 491 . 51 ARG HD2 H 2.47 . 2 492 . 51 ARG HD3 H 2.50 . 2 493 . 52 PRO CD C 50.3 . 1 494 . 52 PRO CA C 64.1 . 1 495 . 52 PRO HA H 4.52 . 1 496 . 52 PRO CB C 31.4 . 1 497 . 52 PRO HB2 H 2.36 . 2 498 . 52 PRO HB3 H 1.99 . 2 499 . 52 PRO CG C 27.5 . 1 500 . 52 PRO HG2 H 2.05 . 2 501 . 52 PRO HD2 H 3.64 . 2 502 . 52 PRO C C 178.7 . 1 503 . 53 GLY N N 111.0 . 1 504 . 53 GLY H H 8.82 . 1 505 . 53 GLY CA C 45.4 . 1 506 . 53 GLY HA2 H 3.76 . 2 507 . 53 GLY HA3 H 4.33 . 2 508 . 53 GLY C C 174.6 . 1 509 . 54 TRP N N 122.1 . 1 510 . 54 TRP H H 8.31 . 1 511 . 54 TRP CA C 57.0 . 1 512 . 54 TRP HA H 5.12 . 1 513 . 54 TRP CB C 31.4 . 1 514 . 54 TRP HB2 H 3.08 . 2 515 . 54 TRP HB3 H 3.22 . 2 516 . 54 TRP NE1 N 130.5 . 1 517 . 54 TRP HD1 H 7.21 . 1 518 . 54 TRP HE3 H 7.14 . 1 519 . 54 TRP HE1 H 10.15 . 1 520 . 54 TRP HZ2 H 7.47 . 1 521 . 54 TRP HH2 H 7.38 . 1 522 . 54 TRP C C 175.3 . 1 523 . 55 CYS N N 117.2 . 1 524 . 55 CYS H H 9.58 . 1 525 . 55 CYS CA C 57.5 . 1 526 . 55 CYS HA H 4.99 . 1 527 . 55 CYS CB C 31.7 . 1 528 . 55 CYS HB2 H 2.61 . 2 529 . 55 CYS HB3 H 2.46 . 2 530 . 55 CYS C C 172.4 . 1 531 . 56 LEU N N 125.6 . 1 532 . 56 LEU H H 8.95 . 1 533 . 56 LEU CA C 55.0 . 1 534 . 56 LEU HA H 4.83 . 1 535 . 56 LEU CB C 43.4 . 1 536 . 56 LEU HB2 H 1.32 . 2 537 . 56 LEU HB3 H 1.94 . 2 538 . 56 LEU CG C 28.1 . 1 539 . 56 LEU HG H 1.48 . 1 540 . 56 LEU HD1 H 0.84 . 2 541 . 56 LEU HD2 H 0.91 . 2 542 . 56 LEU CD1 C 25.7 . 1 543 . 56 LEU CD2 C 22.9 . 1 544 . 56 LEU C C 175.6 . 1 545 . 57 VAL N N 120.2 . 1 546 . 57 VAL H H 8.99 . 1 547 . 57 VAL CA C 58.1 . 1 548 . 57 VAL HA H 5.63 . 1 549 . 57 VAL CB C 36.4 . 1 550 . 57 VAL HB H 2.05 . 1 551 . 57 VAL HG1 H 0.82 . 2 552 . 57 VAL HG2 H 0.86 . 2 553 . 57 VAL CG1 C 22.4 . 1 554 . 57 VAL CG2 C 19.3 . 1 555 . 57 VAL C C 172.9 . 1 556 . 58 ARG N N 118.9 . 1 557 . 58 ARG H H 8.92 . 1 558 . 58 ARG CA C 53.2 . 1 559 . 58 ARG HA H 5.59 . 1 560 . 58 ARG CB C 36.1 . 1 561 . 58 ARG HB2 H 1.83 . 2 562 . 58 ARG CG C 26.8 . 1 563 . 58 ARG HG2 H 1.70 . 2 564 . 58 ARG HG3 H 1.88 . 2 565 . 58 ARG CD C 44.2 . 1 566 . 58 ARG HD2 H 3.30 . 2 567 . 58 ARG NE N 110.0 . 1 568 . 58 ARG HE H 7.35 . 1 569 . 58 ARG HH11 H 6.93 . 1 570 . 58 ARG HH12 H 6.93 . 1 571 . 58 ARG HH21 H 6.63 . 1 572 . 58 ARG HH22 H 6.63 . 1 573 . 58 ARG C C 176.0 . 1 574 . 59 THR N N 114.6 . 1 575 . 59 THR H H 8.79 . 1 576 . 59 THR CA C 62.7 . 1 577 . 59 THR HA H 4.54 . 1 578 . 59 THR CB C 71.1 . 1 579 . 59 THR HB H 4.67 . 1 580 . 59 THR HG2 H 1.40 . 1 581 . 59 THR CG2 C 22.3 . 1 582 . 59 THR C C 174.4 . 1 583 . 60 THR N N 106.6 . 1 584 . 60 THR H H 8.55 . 1 585 . 60 THR CA C 61.3 . 1 586 . 60 THR HA H 4.67 . 1 587 . 60 THR CB C 70.8 . 1 588 . 60 THR HB H 4.29 . 1 589 . 60 THR HG2 H 1.18 . 1 590 . 60 THR CG2 C 21.6 . 1 591 . 60 THR C C 173.8 . 1 592 . 61 GLU N N 119.2 . 1 593 . 61 GLU H H 8.58 . 1 594 . 61 GLU CA C 57.4 . 1 595 . 61 GLU HA H 4.32 . 1 596 . 61 GLU CB C 29.4 . 1 597 . 61 GLU HB2 H 2.22 . 2 598 . 61 GLU HB3 H 2.26 . 2 599 . 61 GLU CG C 36.5 . 1 600 . 61 GLU HG2 H 2.40 . 2 601 . 61 GLU C C 175.6 . 1 602 . 62 ARG N N 118.2 . 1 603 . 62 ARG H H 7.73 . 1 604 . 62 ARG CA C 55.1 . 1 605 . 62 ARG HA H 4.60 . 1 606 . 62 ARG CB C 32.7 . 1 607 . 62 ARG HB2 H 1.83 . 2 608 . 62 ARG HB3 H 1.77 . 2 609 . 62 ARG CG C 26.3 . 1 610 . 62 ARG HG2 H 1.71 . 2 611 . 62 ARG CD C 43.6 . 1 612 . 62 ARG HD2 H 3.20 . 2 613 . 62 ARG HD3 H 3.24 . 2 614 . 62 ARG C C 175.6 . 1 615 . 63 SER N N 118.8 . 1 616 . 63 SER H H 8.67 . 1 617 . 63 SER CA C 54.5 . 1 618 . 63 SER HA H 4.70 . 1 619 . 63 SER CB C 64.6 . 1 620 . 63 SER HB2 H 3.64 . 2 621 . 63 SER HB3 H 3.78 . 2 622 . 64 PRO CD C 50.6 . 1 623 . 64 PRO CA C 61.8 . 1 624 . 64 PRO HA H 5.14 . 1 625 . 64 PRO CB C 33.1 . 1 626 . 64 PRO HB2 H 2.49 . 2 627 . 64 PRO HB3 H 2.12 . 2 628 . 64 PRO CG C 25.2 . 1 629 . 64 PRO HG2 H 2.01 . 2 630 . 64 PRO HG3 H 1.88 . 2 631 . 64 PRO HD2 H 3.63 . 2 632 . 64 PRO HD3 H 3.53 . 2 633 . 65 PRO CD C 50.3 . 1 634 . 65 PRO CA C 62.7 . 1 635 . 65 PRO HA H 4.33 . 1 636 . 65 PRO CB C 32.3 . 1 637 . 65 PRO HB2 H 2.35 . 2 638 . 65 PRO HB3 H 2.11 . 2 639 . 65 PRO CG C 27.6 . 1 640 . 65 PRO HG2 H 2.15 . 2 641 . 65 PRO HG3 H 2.04 . 2 642 . 65 PRO HD2 H 3.96 . 2 643 . 65 PRO HD3 H 3.67 . 2 644 . 65 PRO C C 176.3 . 1 645 . 66 GLN N N 119.7 . 1 646 . 66 GLN H H 8.42 . 1 647 . 66 GLN CA C 54.6 . 1 648 . 66 GLN HA H 4.75 . 1 649 . 66 GLN CB C 33.1 . 1 650 . 66 GLN HB2 H 2.10 . 2 651 . 66 GLN HB3 H 1.88 . 2 652 . 66 GLN CG C 33.7 . 1 653 . 66 GLN HG2 H 2.37 . 2 654 . 66 GLN HG3 H 2.10 . 2 655 . 66 GLN NE2 N 112.0 . 1 656 . 66 GLN HE21 H 7.58 . 2 657 . 66 GLN HE22 H 6.82 . 2 658 . 66 GLN C C 173.8 . 1 659 . 67 GLU N N 118.8 . 1 660 . 67 GLU H H 8.49 . 1 661 . 67 GLU CA C 54.0 . 1 662 . 67 GLU HA H 5.80 . 1 663 . 67 GLU CB C 34.2 . 1 664 . 67 GLU HB2 H 1.96 . 2 665 . 67 GLU HB3 H 2.13 . 2 666 . 67 GLU CG C 35.8 . 1 667 . 67 GLU HG2 H 2.16 . 2 668 . 67 GLU HG3 H 2.10 . 2 669 . 67 GLU C C 176.0 . 1 670 . 68 GLY N N 107.3 . 1 671 . 68 GLY H H 8.89 . 1 672 . 68 GLY CA C 45.5 . 1 673 . 68 GLY HA2 H 3.95 . 2 674 . 68 GLY HA3 H 4.06 . 2 675 . 68 GLY C C 170.8 . 1 676 . 69 LEU N N 114.9 . 1 677 . 69 LEU H H 9.03 . 1 678 . 69 LEU CA C 54.9 . 1 679 . 69 LEU HA H 5.50 . 1 680 . 69 LEU CB C 45.5 . 1 681 . 69 LEU HB2 H 1.77 . 2 682 . 69 LEU HB3 H 1.61 . 2 683 . 69 LEU CG C 26.2 . 1 684 . 69 LEU HG H 1.69 . 1 685 . 69 LEU HD1 H 0.84 . 2 686 . 69 LEU CD1 C 23.5 . 1 687 . 69 LEU C C 177.7 . 1 688 . 70 VAL N N 112.2 . 1 689 . 70 VAL H H 9.13 . 1 690 . 70 VAL CA C 59.8 . 1 691 . 70 VAL HA H 4.89 . 1 692 . 70 VAL CB C 33.7 . 1 693 . 70 VAL HB H 1.92 . 1 694 . 70 VAL HG1 H 0.98 . 2 695 . 70 VAL HG2 H 0.91 . 2 696 . 70 VAL CG1 C 19.6 . 1 697 . 71 PRO CD C 50.7 . 1 698 . 71 PRO CA C 63.0 . 1 699 . 71 PRO HA H 4.48 . 1 700 . 71 PRO CB C 32.3 . 1 701 . 71 PRO HB2 H 2.35 . 2 702 . 71 PRO HB3 H 1.99 . 2 703 . 71 PRO CG C 27.3 . 1 704 . 71 PRO HG2 H 2.10 . 2 705 . 71 PRO HD2 H 3.93 . 2 706 . 71 PRO HD3 H 3.64 . 2 707 . 71 PRO C C 179.5 . 1 708 . 72 SER N N 123.7 . 1 709 . 72 SER H H 9.05 . 1 710 . 72 SER CA C 60.1 . 1 711 . 72 SER HA H 4.24 . 1 712 . 72 SER CB C 62.4 . 1 713 . 72 SER HB2 H 3.85 . 2 714 . 72 SER HB3 H 3.86 . 2 715 . 72 SER C C 176.1 . 1 716 . 73 SER N N 113.2 . 1 717 . 73 SER H H 7.91 . 1 718 . 73 SER CA C 60.1 . 1 719 . 73 SER HA H 4.14 . 1 720 . 73 SER CB C 62.7 . 1 721 . 73 SER HB2 H 3.75 . 2 722 . 73 SER C C 175.3 . 1 723 . 74 THR N N 110.7 . 1 724 . 74 THR H H 7.39 . 1 725 . 74 THR CA C 63.4 . 1 726 . 74 THR HA H 4.12 . 1 727 . 74 THR CB C 69.2 . 1 728 . 74 THR HB H 4.60 . 1 729 . 74 THR HG2 H 1.00 . 1 730 . 74 THR CG2 C 22.7 . 1 731 . 74 THR C C 173.7 . 1 732 . 75 LEU N N 119.6 . 1 733 . 75 LEU H H 7.33 . 1 734 . 75 LEU CA C 53.4 . 1 735 . 75 LEU HA H 4.96 . 1 736 . 75 LEU CB C 44.5 . 1 737 . 75 LEU HB2 H 1.81 . 2 738 . 75 LEU HB3 H 1.32 . 2 739 . 75 LEU CG C 23.6 . 1 740 . 75 LEU HG H 0.61 . 1 741 . 75 LEU HD1 H 0.67 . 2 742 . 75 LEU CD1 C 25.8 . 1 743 . 75 LEU C C 176.7 . 1 744 . 76 CYS N N 121.1 . 1 745 . 76 CYS H H 8.50 . 1 746 . 76 CYS CA C 59.8 . 1 747 . 76 CYS HA H 4.42 . 1 748 . 76 CYS CB C 26.5 . 1 749 . 76 CYS HB2 H 3.06 . 2 750 . 76 CYS HB3 H 2.78 . 2 751 . 76 CYS C C 174.9 . 1 752 . 77 ILE N N 123.3 . 1 753 . 77 ILE H H 7.92 . 1 754 . 77 ILE CA C 61.4 . 1 755 . 77 ILE HA H 4.26 . 1 756 . 77 ILE CB C 38.9 . 1 757 . 77 ILE HB H 1.84 . 1 758 . 77 ILE HG2 H 0.85 . 1 759 . 77 ILE CG2 C 17.7 . 1 760 . 77 ILE CG1 C 27.3 . 1 761 . 77 ILE HG12 H 1.39 . 2 762 . 77 ILE HG13 H 1.10 . 2 763 . 77 ILE HD1 H 0.84 . 1 764 . 77 ILE CD1 C 13.6 . 1 765 . 77 ILE C C 175.9 . 1 766 . 78 SER N N 119.2 . 1 767 . 78 SER H H 8.24 . 1 768 . 78 SER CA C 58.4 . 1 769 . 78 SER HA H 4.40 . 1 770 . 78 SER CB C 63.5 . 1 771 . 78 SER HB2 H 3.80 . 2 772 . 78 SER C C 174.4 . 1 773 . 79 HIS N N 121.3 . 1 774 . 79 HIS H H 8.26 . 1 775 . 79 HIS CA C 55.6 . 1 776 . 79 HIS HA H 4.73 . 1 777 . 79 HIS CB C 30.9 . 1 778 . 79 HIS HB2 H 3.25 . 2 779 . 79 HIS HB3 H 3.12 . 2 780 . 79 HIS HD2 H 7.33 . 1 781 . 79 HIS C C 174.7 . 1 782 . 80 SER N N 116.4 . 1 783 . 80 SER H H 8.28 . 1 784 . 80 SER CA C 58.5 . 1 785 . 80 SER HA H 4.49 . 1 786 . 80 SER CB C 64.1 . 1 787 . 80 SER HB2 H 3.90 . 2 788 . 80 SER C C 174.3 . 1 789 . 81 ARG N N 123.7 . 1 790 . 81 ARG H H 8.51 . 1 791 . 81 ARG CA C 56.2 . 1 792 . 81 ARG HA H 4.47 . 1 793 . 81 ARG CB C 31.1 . 1 794 . 81 ARG HB2 H 1.96 . 2 795 . 81 ARG HB3 H 1.79 . 2 796 . 81 ARG CG C 26.6 . 1 797 . 81 ARG HG2 H 1.69 . 2 798 . 81 ARG CD C 43.5 . 1 799 . 81 ARG HD2 H 3.23 . 2 800 . 81 ARG C C 175.5 . 1 801 . 82 SER N N 122.7 . 1 802 . 82 SER H H 7.99 . 1 803 . 82 SER CA C 59.6 . 1 804 . 82 SER HA H 4.48 . 1 805 . 82 SER CB C 64.1 . 1 806 . 82 SER HB2 H 4.07 . 2 stop_ save_