data_6344 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; 1H, 13C, and 15N Chemical Shift Assignments for human protein HSPCO34 ; loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Ramelot Theresa A. . 3 Montelione Guy T. . 2 Acton Thomas B. . 4 Kennedy Michael A. . stop_ _BMRB_accession_number 6344 _BMRB_flat_file_name bmr6344.str _Entry_type new _Submission_date 2004-10-08 _Accession_date 2004-10-11 _Entry_origination author _NMR_STAR_version 2.1.1 _Experimental_method NMR _Details ; Northeast Structural Genomics Target HR1958. ; loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count '1H chemical shifts' 841 '15N chemical shifts' 145 '13C chemical shifts' 645 stop_ save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_title ; Solution NMR Structure of Human protein HSPCO34. Northeast Structural Genomics Target HR1958. ; _Citation_status published _Citation_type "BMRB only" _PubMed_ID . loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Ramelot Theresa A. . 2 Kennedy Michael A. . stop_ _Journal_abbreviation ? _Journal_volume ? _Journal_issue ? _Page_first ? _Page_last ? _Year 2004 save_ ################################## # Molecular system description # ################################## save_molecular_system_HR1958 _Saveframe_category molecular_system _Mol_system_name HR1958 _Abbreviation_common HR1958 _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label HR1958 $HR1958 stop_ _System_molecular_weight 16300 _System_physical_state native _System_oligomer_state monomer _System_paramagnetic no _System_thiol_state "all free" loop_ _Database_name _Database_accession_code _Database_entry_mol_name _Database_entry_details PDB 1XPW . . stop_ _Details "protein monomer" save_ ######################## # Monomeric polymers # ######################## save_HR1958 _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common HR1958 _Name_variant PP25 _Abbreviation_common PP25 _Mol_thiol_state "all free" ############################## # Polymer residue sequence # ############################## _Residue_count 143 _Mol_residue_sequence ; MRKIDLCLSSEGSEVILATS SDEKHPPENIIDGNPETFWT TTGMFPQEFIICFHKHVRIE RLVIQSYFVQTLKIEKSTSK EPVDFEQWIEKDLVHTEGQL QNEEIVAHGSATYLRFIIVS AFDHFASVHSVSAEGTVVSN LSS ; loop_ _Residue_seq_code _Residue_label 1 MET 2 ARG 3 LYS 4 ILE 5 ASP 6 LEU 7 CYS 8 LEU 9 SER 10 SER 11 GLU 12 GLY 13 SER 14 GLU 15 VAL 16 ILE 17 LEU 18 ALA 19 THR 20 SER 21 SER 22 ASP 23 GLU 24 LYS 25 HIS 26 PRO 27 PRO 28 GLU 29 ASN 30 ILE 31 ILE 32 ASP 33 GLY 34 ASN 35 PRO 36 GLU 37 THR 38 PHE 39 TRP 40 THR 41 THR 42 THR 43 GLY 44 MET 45 PHE 46 PRO 47 GLN 48 GLU 49 PHE 50 ILE 51 ILE 52 CYS 53 PHE 54 HIS 55 LYS 56 HIS 57 VAL 58 ARG 59 ILE 60 GLU 61 ARG 62 LEU 63 VAL 64 ILE 65 GLN 66 SER 67 TYR 68 PHE 69 VAL 70 GLN 71 THR 72 LEU 73 LYS 74 ILE 75 GLU 76 LYS 77 SER 78 THR 79 SER 80 LYS 81 GLU 82 PRO 83 VAL 84 ASP 85 PHE 86 GLU 87 GLN 88 TRP 89 ILE 90 GLU 91 LYS 92 ASP 93 LEU 94 VAL 95 HIS 96 THR 97 GLU 98 GLY 99 GLN 100 LEU 101 GLN 102 ASN 103 GLU 104 GLU 105 ILE 106 VAL 107 ALA 108 HIS 109 GLY 110 SER 111 ALA 112 THR 113 TYR 114 LEU 115 ARG 116 PHE 117 ILE 118 ILE 119 VAL 120 SER 121 ALA 122 PHE 123 ASP 124 HIS 125 PHE 126 ALA 127 SER 128 VAL 129 HIS 130 SER 131 VAL 132 SER 133 ALA 134 GLU 135 GLY 136 THR 137 VAL 138 VAL 139 SER 140 ASN 141 LEU 142 SER 143 SER stop_ save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species $HR1958 Human 9606 Eukaryota Metazoa Homo sapiens 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 $HR1958 "recombinant technology" "E. coli" Escherichia coli "BL21 (lamda DE3) pMGK" "plasmid PET 14" stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Saveframe_category sample _Sample_type solution loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $HR1958 1 mM "[U-15N; U-13C]" Mes 20 mM . NaCl 100 mM . CaCl2 5 mM . DTT 10 mM . NaN3 0.02 % . stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Varian _Model Inova _Field_strength 600 save_ save_NMR_spectrometer_2 _Saveframe_category NMR_spectrometer _Manufacturer Varian _Model Inova _Field_strength 750 save_ save_NMR_spectrometer_3 _Saveframe_category NMR_spectrometer _Manufacturer Varian _Model Inova _Field_strength 800 save_ ############################# # NMR applied experiments # ############################# save_NMR_applied_experiment _Saveframe_category NMR_applied_experiment _Experiment_name ; [U-15N, U-13C]-HR1958 2D 1H-15N HSQC - regular and NH2only 2D 1H-13C HSQC -aliph, alpha, arom 3D HNCO 3D HNCACB 3D CBCA(CO)NH 3D HCCH-COSY 3D HCCH-TOCSY 3D H(CC)(CO)NH-TOCSY 3D (H)CC(CO)NH-TOCSY [U-15N, 5%-13C]-HR1958 1H-13C HSQC [U-15N, U-13C]-HR1958 2D 1H-15N HSQC 3D HNHA 3D 15N-edited NOESY-HSQC 3D 13C-edited NOESY-HSQC -aliph, arom 4D CC-NOESY (2H2O) ; _Details ; Data collected on 600mHz Varian Inova spectrometer. [U-15N, U-13C]-HR1958 2D 1H-15N HSQC - regular and NH2only 2D 1H-13C HSQC -aliph, alpha, arom 3D HNCO 3D HNCACB 3D CBCA(CO)NH 3D HCCH-COSY 3D HCCH-TOCSY 3D H(CC)(CO)NH-TOCSY 3D (H)CC(CO)NH-TOCSY [U-15N, 5%-13C]-HR1958 1H-13C HSQC to get stereospecific assignements for Leu, Val isopropyl groups. Data collected on 750mHz Varian Inova spectrometer. [U-15N, U-13C]-HR1958 2D 1H-15N HSQC 3D HNHA 3D 15N-edited NOESY-HSQC 3D 13C-edited NOESY-HSQC -aliph, arom 4D CC-NOESY (2H2O) ; save_ ####################### # Sample conditions # ####################### save_sample_conditions _Saveframe_category sample_conditions loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units pH 6.5 0.1 pH temperature 298 1 K "ionic strength" 0.1 1 M stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference _Saveframe_category chemical_shift_reference loop_ _Mol_common_name _Atom_type _Atom_isotope_number _Atom_group _Chem_shift_units _Chem_shift_value _Reference_method _Reference_type _External_reference_sample_geometry _External_reference_location _External_reference_axis _Indirect_shift_ratio DSS H 1 "methyl protons" ppm 0.0 internal direct . . . 1.0 DSS C 13 "methyl protons" ppm 0.0 . indirect . . . 0.251449530 DSS N 15 "methyl protons" ppm 0.0 . indirect . . . 0.101329118 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # Index Value Definition # # # # 1 Unique # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups # # 3 Aromatic atoms on opposite sides of the ring # # (e.g. Tyr HE1 and HE2 protons) # # 4 Intraresidue ambiguities (e.g. Lys HG and # # HD protons) # # 5 Interresidue ambiguities (Lys 12 vs. Lys 27) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chemical_shifts _Saveframe_category assigned_chemical_shifts loop_ _Sample_label $sample_1 stop_ _Sample_conditions_label $sample_conditions _Chem_shift_reference_set_label $chemical_shift_reference _Mol_system_component_name HR1958 loop_ _Atom_shift_assign_ID _Residue_seq_code _Residue_label _Atom_name _Atom_type _Chem_shift_value _Chem_shift_value_error _Chem_shift_ambiguity_code 1 1 MET H H 8.24 0.02 1 2 1 MET HA H 4.45 0.02 1 3 1 MET HB2 H 1.97 0.02 2 4 1 MET HB3 H 2.09 0.02 2 5 1 MET HG2 H 2.45 0.02 2 6 1 MET HG3 H 2.52 0.02 2 7 1 MET HE H 2.07 0.02 1 8 1 MET C C 175.6 0.2 1 9 1 MET CA C 55.1 0.2 1 10 1 MET CB C 32.9 0.2 1 11 1 MET CG C 31.9 0.2 1 12 1 MET CE C 17.0 0.2 1 13 1 MET N N 121.1 0.2 1 14 2 ARG H H 8.35 0.02 1 15 2 ARG HA H 4.36 0.02 1 16 2 ARG HB2 H 1.79 0.02 2 17 2 ARG HB3 H 1.84 0.02 2 18 2 ARG HG2 H 1.61 0.02 1 19 2 ARG HG3 H 1.61 0.02 1 20 2 ARG HD2 H 3.21 0.02 1 21 2 ARG HD3 H 3.21 0.02 1 22 2 ARG C C 175.8 0.2 1 23 2 ARG CA C 56.3 0.2 1 24 2 ARG CB C 31.1 0.2 1 25 2 ARG CG C 27.3 0.2 1 26 2 ARG CD C 43.4 0.2 1 27 2 ARG N N 122.8 0.2 1 28 3 LYS H H 8.47 0.02 1 29 3 LYS HA H 4.50 0.02 1 30 3 LYS HB2 H 1.71 0.02 2 31 3 LYS HB3 H 1.85 0.02 2 32 3 LYS HG2 H 1.40 0.02 2 33 3 LYS HG3 H 1.49 0.02 2 34 3 LYS HD2 H 1.69 0.02 1 35 3 LYS HD3 H 1.69 0.02 1 36 3 LYS HE2 H 2.99 0.02 1 37 3 LYS HE3 H 2.99 0.02 1 38 3 LYS C C 176.0 0.2 1 39 3 LYS CA C 55.7 0.2 1 40 3 LYS CB C 33.3 0.2 1 41 3 LYS CG C 25.0 0.2 1 42 3 LYS CD C 29.1 0.2 1 43 3 LYS CE C 42.0 0.2 1 44 3 LYS N N 123.6 0.2 1 45 4 ILE H H 8.30 0.02 1 46 4 ILE HA H 4.18 0.02 1 47 4 ILE HB H 1.86 0.02 1 48 4 ILE HG12 H 1.24 0.02 2 49 4 ILE HG13 H 1.49 0.02 2 50 4 ILE HG2 H 0.89 0.02 1 51 4 ILE HD1 H 0.89 0.02 1 52 4 ILE C C 175.1 0.2 1 53 4 ILE CA C 60.8 0.2 1 54 4 ILE CB C 39.5 0.2 1 55 4 ILE CG1 C 27.8 0.2 1 56 4 ILE CG2 C 17.3 0.2 1 57 4 ILE CD1 C 13.1 0.2 1 58 4 ILE N N 123.2 0.2 1 59 5 ASP H H 8.04 0.02 1 60 5 ASP HA H 5.11 0.02 1 61 5 ASP HB2 H 2.72 0.02 2 62 5 ASP HB3 H 2.98 0.02 2 63 5 ASP C C 176.8 0.2 1 64 5 ASP CA C 52.5 0.2 1 65 5 ASP CB C 40.5 0.2 1 66 5 ASP N N 122.4 0.2 1 67 6 LEU H H 9.13 0.02 1 68 6 LEU HA H 3.98 0.02 1 69 6 LEU HB2 H 1.53 0.02 2 70 6 LEU HB3 H 1.64 0.02 2 71 6 LEU HG H 1.82 0.02 1 72 6 LEU HD1 H 0.46 0.02 1 73 6 LEU HD2 H 0.70 0.02 1 74 6 LEU C C 179.4 0.2 1 75 6 LEU CA C 56.2 0.2 1 76 6 LEU CB C 44.3 0.2 1 77 6 LEU CG C 26.5 0.2 1 78 6 LEU CD1 C 25.8 0.2 1 79 6 LEU CD2 C 22.1 0.2 1 80 6 LEU N N 123.4 0.2 1 81 7 CYS H H 8.83 0.02 1 82 7 CYS HA H 4.03 0.02 1 83 7 CYS HB2 H 3.11 0.02 2 84 7 CYS HB3 H 3.65 0.02 2 85 7 CYS C C 171.9 0.2 1 86 7 CYS CA C 61.2 0.2 1 87 7 CYS CB C 29.4 0.2 1 88 7 CYS N N 113.2 0.2 1 89 8 LEU H H 6.73 0.02 1 90 8 LEU HA H 4.35 0.02 1 91 8 LEU HB2 H 1.67 0.02 2 92 8 LEU HB3 H 1.82 0.02 2 93 8 LEU HG H 1.81 0.02 1 94 8 LEU HD1 H 1.15 0.02 1 95 8 LEU HD2 H 0.86 0.02 1 96 8 LEU C C 181.1 0.2 1 97 8 LEU CA C 55.6 0.2 1 98 8 LEU CB C 42.8 0.2 1 99 8 LEU CG C 27.2 0.2 1 100 8 LEU CD1 C 26.4 0.2 1 101 8 LEU CD2 C 23.0 0.2 1 102 8 LEU N N 114.3 0.2 1 103 9 SER H H 8.91 0.02 1 104 9 SER HA H 4.81 0.02 1 105 9 SER HB2 H 3.95 0.02 2 106 9 SER HB3 H 4.07 0.02 2 107 9 SER C C 175.1 0.2 1 108 9 SER CA C 60.5 0.2 1 109 9 SER CB C 62.5 0.2 1 110 9 SER N N 118.5 0.2 1 111 10 SER H H 8.42 0.02 1 112 10 SER HA H 4.33 0.02 1 113 10 SER HB2 H 3.91 0.02 2 114 10 SER HB3 H 4.15 0.02 2 115 10 SER C C 175.9 0.2 1 116 10 SER CA C 60.8 0.2 1 117 10 SER CB C 62.2 0.2 1 118 10 SER N N 117.0 0.2 1 119 11 GLU H H 7.54 0.02 1 120 11 GLU HA H 4.45 0.02 1 121 11 GLU HB2 H 2.19 0.02 2 122 11 GLU HB3 H 2.56 0.02 2 123 11 GLU HG2 H 2.21 0.02 2 124 11 GLU HG3 H 2.71 0.02 2 125 11 GLU C C 176.7 0.2 1 126 11 GLU CA C 55.9 0.2 1 127 11 GLU CB C 29.4 0.2 1 128 11 GLU CG C 36.3 0.2 1 129 11 GLU N N 119.9 0.2 1 130 12 GLY H H 8.10 0.02 1 131 12 GLY HA2 H 3.74 0.02 2 132 12 GLY HA3 H 4.52 0.02 2 133 12 GLY C C 174.3 0.2 1 134 12 GLY CA C 44.9 0.2 1 135 12 GLY N N 107.5 0.2 1 136 13 SER H H 7.10 0.02 1 137 13 SER HA H 4.96 0.02 1 138 13 SER HB2 H 3.37 0.02 2 139 13 SER HB3 H 3.71 0.02 2 140 13 SER C C 172.3 0.2 1 141 13 SER CA C 59.0 0.2 1 142 13 SER CB C 63.7 0.2 1 143 13 SER N N 117.1 0.2 1 144 14 GLU H H 8.56 0.02 1 145 14 GLU HA H 4.68 0.02 1 146 14 GLU HB2 H 2.00 0.02 2 147 14 GLU HB3 H 2.15 0.02 2 148 14 GLU HG2 H 2.34 0.02 2 149 14 GLU HG3 H 2.59 0.02 2 150 14 GLU C C 174.3 0.2 1 151 14 GLU CA C 55.3 0.2 1 152 14 GLU CB C 36.1 0.2 1 153 14 GLU CG C 36.3 0.2 1 154 14 GLU N N 119.0 0.2 1 155 15 VAL H H 9.35 0.02 1 156 15 VAL HA H 4.96 0.02 1 157 15 VAL HB H 1.74 0.02 1 158 15 VAL HG1 H 0.73 0.02 2 159 15 VAL HG2 H 0.72 0.02 2 160 15 VAL C C 176.0 0.2 1 161 15 VAL CA C 61.7 0.2 1 162 15 VAL CB C 31.2 0.2 1 163 15 VAL CG1 C 21.7 0.2 2 164 15 VAL CG2 C 22.8 0.2 2 165 15 VAL N N 126.0 0.2 1 166 16 ILE H H 9.10 0.02 1 167 16 ILE HA H 4.73 0.02 1 168 16 ILE HB H 2.11 0.02 1 169 16 ILE HG12 H 1.40 0.02 1 170 16 ILE HG13 H 1.40 0.02 1 171 16 ILE HG2 H 0.95 0.02 1 172 16 ILE HD1 H 1.05 0.02 1 173 16 ILE CA C 60.2 0.2 1 174 16 ILE CB C 41.7 0.2 1 175 16 ILE CG1 C 26.4 0.2 1 176 16 ILE CG2 C 18.1 0.2 1 177 16 ILE CD1 C 14.4 0.2 1 178 16 ILE N N 121.5 0.2 1 179 17 LEU HA H 4.13 0.02 1 180 17 LEU HB2 H 1.57 0.02 2 181 17 LEU HB3 H 1.84 0.02 2 182 17 LEU HG H 1.55 0.02 1 183 17 LEU HD1 H 0.94 0.02 1 184 17 LEU HD2 H 0.88 0.02 1 185 17 LEU C C 175.5 0.2 1 186 17 LEU CA C 55.3 0.2 1 187 17 LEU CB C 41.5 0.2 1 188 17 LEU CG C 27.2 0.2 1 189 17 LEU CD1 C 25.7 0.2 1 190 17 LEU CD2 C 23.0 0.2 1 191 18 ALA H H 8.29 0.02 1 192 18 ALA HA H 5.44 0.02 1 193 18 ALA HB H 1.43 0.02 1 194 18 ALA C C 180.6 0.2 1 195 18 ALA CA C 51.6 0.2 1 196 18 ALA CB C 20.5 0.2 1 197 18 ALA N N 121.1 0.2 1 198 19 THR H H 9.24 0.02 1 199 19 THR HA H 4.30 0.02 1 200 19 THR HB H 4.70 0.02 1 201 19 THR HG2 H 1.51 0.02 1 202 19 THR C C 175.1 0.2 1 203 19 THR CA C 64.6 0.2 1 204 19 THR CB C 70.2 0.2 1 205 19 THR CG2 C 23.3 0.2 1 206 19 THR N N 113.0 0.2 1 207 20 SER H H 7.77 0.02 1 208 20 SER HA H 4.88 0.02 1 209 20 SER HB2 H 4.04 0.02 1 210 20 SER HB3 H 4.04 0.02 1 211 20 SER C C 173.0 0.2 1 212 20 SER CA C 58.8 0.2 1 213 20 SER CB C 66.4 0.2 1 214 20 SER N N 113.2 0.2 1 215 21 SER H H 8.92 0.02 1 216 21 SER HA H 4.85 0.02 1 217 21 SER HB2 H 3.93 0.02 1 218 21 SER HB3 H 3.93 0.02 1 219 21 SER C C 173.2 0.2 1 220 21 SER CA C 57.9 0.2 1 221 21 SER CB C 63.7 0.2 1 222 21 SER N N 116.6 0.2 1 223 22 ASP H H 9.13 0.02 1 224 22 ASP HA H 4.58 0.02 1 225 22 ASP HB2 H 2.57 0.02 1 226 22 ASP HB3 H 2.57 0.02 1 227 22 ASP C C 173.2 0.2 1 228 22 ASP CA C 54.1 0.2 1 229 22 ASP CB C 43.2 0.2 1 230 22 ASP N N 126.5 0.2 1 231 23 GLU H H 8.94 0.02 1 232 23 GLU HA H 4.03 0.02 1 233 23 GLU HB2 H 2.09 0.02 1 234 23 GLU HB3 H 2.09 0.02 1 235 23 GLU HG2 H 2.31 0.02 1 236 23 GLU HG3 H 2.31 0.02 1 237 23 GLU C C 177.6 0.2 1 238 23 GLU CA C 59.2 0.2 1 239 23 GLU CB C 29.5 0.2 1 240 23 GLU CG C 36.1 0.2 1 241 23 GLU N N 126.0 0.2 1 242 24 LYS H H 8.42 0.02 1 243 24 LYS HA H 4.03 0.02 1 244 24 LYS HB2 H 1.31 0.02 2 245 24 LYS HB3 H 1.56 0.02 2 246 24 LYS HG2 H 1.27 0.02 2 247 24 LYS HG3 H 1.40 0.02 2 248 24 LYS HD2 H 1.62 0.02 1 249 24 LYS HD3 H 1.62 0.02 1 250 24 LYS HE2 H 2.97 0.02 1 251 24 LYS HE3 H 2.97 0.02 1 252 24 LYS C C 176.6 0.2 1 253 24 LYS CA C 56.8 0.2 1 254 24 LYS CB C 32.6 0.2 1 255 24 LYS CG C 25.2 0.2 1 256 24 LYS CD C 28.5 0.2 1 257 24 LYS CE C 41.8 0.2 1 258 24 LYS N N 116.7 0.2 1 259 25 HIS H H 7.82 0.02 1 260 25 HIS HA H 4.58 0.02 1 261 25 HIS HB2 H 2.78 0.02 2 262 25 HIS HB3 H 3.50 0.02 2 263 25 HIS HD2 H 6.81 0.02 1 264 25 HIS CA C 54.0 0.2 1 265 25 HIS CB C 30.2 0.2 1 266 25 HIS CD2 C 121.2 0.2 1 267 25 HIS N N 115.8 0.2 1 268 26 PRO HA H 4.94 0.02 1 269 26 PRO HB2 H 2.33 0.02 2 270 26 PRO HB3 H 2.49 0.02 2 271 26 PRO HG2 H 1.72 0.02 2 272 26 PRO HG3 H 2.03 0.02 2 273 26 PRO HD2 H 3.32 0.02 2 274 26 PRO HD3 H 3.47 0.02 2 275 26 PRO CA C 62.7 0.2 1 276 26 PRO CB C 31.4 0.2 1 277 26 PRO CG C 27.1 0.2 1 278 26 PRO CD C 50.4 0.2 1 279 27 PRO HA H 3.85 0.02 1 280 27 PRO HB2 H 1.50 0.02 2 281 27 PRO HB3 H 1.71 0.02 2 282 27 PRO HG2 H 2.00 0.02 2 283 27 PRO HG3 H 2.21 0.02 2 284 27 PRO HD2 H 3.95 0.02 2 285 27 PRO HD3 H 4.04 0.02 2 286 27 PRO C C 177.2 0.2 1 287 27 PRO CA C 65.2 0.2 1 288 27 PRO CB C 31.4 0.2 1 289 27 PRO CG C 27.9 0.2 1 290 27 PRO CD C 51.0 0.2 1 291 28 GLU H H 9.13 0.02 1 292 28 GLU HA H 3.94 0.02 1 293 28 GLU HB2 H 2.08 0.02 1 294 28 GLU HB3 H 2.08 0.02 1 295 28 GLU HG2 H 2.32 0.02 1 296 28 GLU HG3 H 2.32 0.02 1 297 28 GLU C C 177.7 0.2 1 298 28 GLU CA C 59.6 0.2 1 299 28 GLU CB C 28.3 0.2 1 300 28 GLU CG C 36.4 0.2 1 301 28 GLU N N 116.4 0.2 1 302 29 ASN H H 8.02 0.02 1 303 29 ASN HA H 4.38 0.02 1 304 29 ASN HB2 H 2.22 0.02 2 305 29 ASN HB3 H 2.85 0.02 2 306 29 ASN HD21 H 7.35 0.02 2 307 29 ASN HD22 H 7.20 0.02 2 308 29 ASN C C 177.7 0.2 1 309 29 ASN CA C 53.7 0.2 1 310 29 ASN CB C 37.4 0.2 1 311 29 ASN N N 117.6 0.2 1 312 29 ASN ND2 N 107.7 0.2 1 313 30 ILE H H 8.51 0.02 1 314 30 ILE HA H 3.40 0.02 1 315 30 ILE HB H 1.38 0.02 1 316 30 ILE HG12 H 0.44 0.02 2 317 30 ILE HG13 H 1.54 0.02 2 318 30 ILE HG2 H 0.59 0.02 1 319 30 ILE HD1 H -0.71 0.02 1 320 30 ILE C C 174.6 0.2 1 321 30 ILE CA C 65.6 0.2 1 322 30 ILE CB C 39.3 0.2 1 323 30 ILE CG1 C 31.0 0.2 1 324 30 ILE CG2 C 18.7 0.2 1 325 30 ILE CD1 C 10.7 0.2 1 326 30 ILE N N 125.9 0.2 1 327 31 ILE H H 6.60 0.02 1 328 31 ILE HA H 5.18 0.02 1 329 31 ILE HB H 3.01 0.02 1 330 31 ILE HG12 H 1.45 0.02 1 331 31 ILE HG13 H 1.45 0.02 1 332 31 ILE HG2 H 0.66 0.02 1 333 31 ILE HD1 H 0.79 0.02 1 334 31 ILE C C 174.6 0.2 1 335 31 ILE CA C 60.7 0.2 1 336 31 ILE CB C 36.5 0.2 1 337 31 ILE CG1 C 26.0 0.2 1 338 31 ILE CG2 C 18.7 0.2 1 339 31 ILE CD1 C 14.4 0.2 1 340 31 ILE N N 107.1 0.2 1 341 32 ASP H H 7.44 0.02 1 342 32 ASP HA H 4.63 0.02 1 343 32 ASP HB2 H 2.86 0.02 2 344 32 ASP HB3 H 3.16 0.02 2 345 32 ASP C C 176.8 0.2 1 346 32 ASP CA C 53.2 0.2 1 347 32 ASP CB C 40.6 0.2 1 348 32 ASP N N 117.6 0.2 1 349 33 GLY H H 8.86 0.02 1 350 33 GLY HA2 H 3.82 0.02 2 351 33 GLY HA3 H 4.04 0.02 2 352 33 GLY C C 172.8 0.2 1 353 33 GLY CA C 46.2 0.2 1 354 33 GLY N N 110.5 0.2 1 355 34 ASN H H 7.65 0.02 1 356 34 ASN HA H 5.45 0.02 1 357 34 ASN HB2 H 2.57 0.02 2 358 34 ASN HB3 H 3.32 0.02 2 359 34 ASN HD21 H 7.79 0.02 1 360 34 ASN HD22 H 7.45 0.02 1 361 34 ASN CA C 49.2 0.2 1 362 34 ASN CB C 40.4 0.2 1 363 34 ASN N N 116.0 0.2 1 364 34 ASN ND2 N 113.2 0.2 1 365 35 PRO HA H 4.34 0.02 1 366 35 PRO HB2 H 2.12 0.02 2 367 35 PRO HB3 H 2.50 0.02 2 368 35 PRO HG2 H 2.13 0.02 1 369 35 PRO HG3 H 2.13 0.02 1 370 35 PRO HD2 H 3.98 0.02 2 371 35 PRO HD3 H 4.15 0.02 2 372 35 PRO C C 175.8 0.2 1 373 35 PRO CA C 65.0 0.2 1 374 35 PRO CB C 32.5 0.2 1 375 35 PRO CG C 26.8 0.2 1 376 35 PRO CD C 52.0 0.2 1 377 36 GLU H H 8.44 0.02 1 378 36 GLU HA H 4.46 0.02 1 379 36 GLU HB2 H 2.13 0.02 2 380 36 GLU HB3 H 2.24 0.02 2 381 36 GLU HG2 H 2.34 0.02 2 382 36 GLU HG3 H 2.43 0.02 2 383 36 GLU C C 178.4 0.2 1 384 36 GLU CA C 57.8 0.2 1 385 36 GLU CB C 30.2 0.2 1 386 36 GLU CG C 36.8 0.2 1 387 36 GLU N N 115.3 0.2 1 388 37 THR H H 7.30 0.02 1 389 37 THR HA H 4.79 0.02 1 390 37 THR HB H 4.17 0.02 1 391 37 THR HG2 H 1.20 0.02 1 392 37 THR C C 175.8 0.2 1 393 37 THR CA C 58.6 0.2 1 394 37 THR CB C 69.7 0.2 1 395 37 THR CG2 C 21.4 0.2 1 396 37 THR N N 106.8 0.2 1 397 38 PHE H H 10.8 0.02 1 398 38 PHE HA H 5.35 0.02 1 399 38 PHE HB2 H 2.25 0.02 1 400 38 PHE HB3 H 2.25 0.02 1 401 38 PHE HD1 H 6.68 0.02 1 402 38 PHE HD2 H 6.68 0.02 1 403 38 PHE HE1 H 6.92 0.02 1 404 38 PHE HE2 H 6.92 0.02 1 405 38 PHE C C 173.8 0.2 1 406 38 PHE CA C 54.5 0.2 1 407 38 PHE CD1 C 133.1 0.2 1 408 38 PHE CD2 C 133.1 0.2 1 409 38 PHE CE1 C 130.6 0.2 1 410 38 PHE CE2 C 130.6 0.2 1 411 39 TRP H H 8.75 0.02 1 412 39 TRP HA H 4.93 0.02 1 413 39 TRP HB2 H 2.91 0.02 2 414 39 TRP HB3 H 3.02 0.02 2 415 39 TRP HD1 H 7.37 0.02 1 416 39 TRP HE1 H 10.41 0.02 1 417 39 TRP HE3 H 6.75 0.02 1 418 39 TRP HZ2 H 7.58 0.02 1 419 39 TRP HH2 H 7.09 0.02 1 420 39 TRP C C 175.5 0.2 1 421 39 TRP CA C 55.5 0.2 1 422 39 TRP CB C 32.3 0.2 1 423 39 TRP CD1 C 126.8 0.2 1 424 39 TRP CE3 C 121.3 0.2 1 425 39 TRP CZ2 C 113.3 0.2 1 426 39 TRP CH2 C 123.8 0.2 1 427 39 TRP N N 124.2 0.2 1 428 39 TRP NE1 N 131.1 0.2 1 429 40 THR H H 6.50 0.02 1 430 40 THR HA H 5.18 0.02 1 431 40 THR HB H 3.71 0.02 1 432 40 THR HG2 H 0.98 0.02 1 433 40 THR C C 171.5 0.2 1 434 40 THR CA C 59.3 0.2 1 435 40 THR CB C 71.9 0.2 1 436 40 THR CG2 C 20.3 0.2 1 437 40 THR N N 120.7 0.2 1 438 41 THR H H 7.85 0.02 1 439 41 THR HA H 3.85 0.02 1 440 41 THR HB H 3.71 0.02 1 441 41 THR HG2 H 0.82 0.02 1 442 41 THR C C 174.4 0.2 1 443 41 THR CA C 61.0 0.2 1 444 41 THR CB C 70.3 0.2 1 445 41 THR CG2 C 21.8 0.2 1 446 41 THR N N 113.8 0.2 1 447 42 THR H H 8.35 0.02 1 448 42 THR HA H 4.55 0.02 1 449 42 THR HB H 4.37 0.02 1 450 42 THR HG2 H 1.10 0.02 1 451 42 THR C C 174.9 0.2 1 452 42 THR CA C 61.2 0.2 1 453 42 THR CB C 70.2 0.2 1 454 42 THR CG2 C 21.3 0.2 1 455 42 THR N N 108.1 0.2 1 456 43 GLY H H 7.41 0.02 1 457 43 GLY HA2 H 3.92 0.02 2 458 43 GLY HA3 H 4.24 0.02 2 459 43 GLY C C 173.4 0.2 1 460 43 GLY CA C 44.3 0.2 1 461 43 GLY N N 109.3 0.2 1 462 44 MET H H 8.28 0.02 1 463 44 MET HA H 4.33 0.02 1 464 44 MET HB2 H 2.02 0.02 2 465 44 MET HB3 H 2.19 0.02 2 466 44 MET HG2 H 2.67 0.02 2 467 44 MET HG3 H 2.74 0.02 2 468 44 MET HE H 2.19 0.02 1 469 44 MET C C 175.5 0.2 1 470 44 MET CA C 55.3 0.2 1 471 44 MET CB C 33.3 0.2 1 472 44 MET CG C 32.3 0.2 1 473 44 MET CE C 17.2 0.2 1 474 44 MET N N 118.3 0.2 1 475 45 PHE H H 8.40 0.02 1 476 45 PHE HA H 4.18 0.02 1 477 45 PHE HB2 H 2.75 0.02 2 478 45 PHE HB3 H 3.26 0.02 2 479 45 PHE HD1 H 7.40 0.02 1 480 45 PHE HD2 H 7.40 0.02 1 481 45 PHE HE1 H 7.04 0.02 1 482 45 PHE HE2 H 7.04 0.02 1 483 45 PHE CA C 58.8 0.2 1 484 45 PHE CB C 38.3 0.2 1 485 45 PHE CD1 C 131.3 0.2 1 486 45 PHE CD2 C 131.3 0.2 1 487 45 PHE CE1 C 130.1 0.2 1 488 45 PHE CE2 C 130.1 0.2 1 489 45 PHE N N 121.0 0.2 1 490 46 PRO HA H 5.35 0.02 1 491 46 PRO HB2 H 2.11 0.02 2 492 46 PRO HB3 H 2.43 0.02 2 493 46 PRO HG2 H 1.98 0.02 2 494 46 PRO HG3 H 2.01 0.02 2 495 46 PRO HD2 H 3.65 0.02 2 496 46 PRO HD3 H 3.76 0.02 2 497 46 PRO C C 175.5 0.2 1 498 46 PRO CA C 62.4 0.2 1 499 46 PRO CB C 36.1 0.2 1 500 46 PRO CG C 25.2 0.2 1 501 46 PRO CD C 51.3 0.2 1 502 47 GLN H H 8.55 0.02 1 503 47 GLN HA H 4.71 0.02 1 504 47 GLN HB2 H 2.03 0.02 1 505 47 GLN HB3 H 2.03 0.02 1 506 47 GLN HG2 H 2.71 0.02 1 507 47 GLN HG3 H 2.71 0.02 1 508 47 GLN C C 173.6 0.2 1 509 47 GLN CA C 54.3 0.2 1 510 47 GLN CB C 33.0 0.2 1 511 47 GLN CG C 33.0 0.2 1 512 47 GLN N N 120.9 0.2 1 513 48 GLU H H 9.40 0.02 1 514 48 GLU HA H 6.02 0.02 1 515 48 GLU HB2 H 1.86 0.02 2 516 48 GLU HB3 H 2.16 0.02 2 517 48 GLU HG2 H 2.30 0.02 1 518 48 GLU HG3 H 2.30 0.02 1 519 48 GLU C C 174.1 0.2 1 520 48 GLU CA C 54.7 0.2 1 521 48 GLU CB C 36.1 0.2 1 522 48 GLU CG C 34.5 0.2 1 523 48 GLU N N 118.4 0.2 1 524 49 PHE H H 8.26 0.02 1 525 49 PHE HA H 4.81 0.02 1 526 49 PHE HB2 H 2.51 0.02 2 527 49 PHE HB3 H 2.60 0.02 2 528 49 PHE HD1 H 6.51 0.02 1 529 49 PHE HD2 H 6.51 0.02 1 530 49 PHE HE1 H 6.35 0.02 1 531 49 PHE HE2 H 6.35 0.02 1 532 49 PHE HZ H 6.64 0.02 1 533 49 PHE C C 172.4 0.2 1 534 49 PHE CA C 57.1 0.2 1 535 49 PHE CB C 40.4 0.2 1 536 49 PHE CD1 C 132.6 0.2 1 537 49 PHE CD2 C 132.6 0.2 1 538 49 PHE CE1 C 128.1 0.2 1 539 49 PHE CE2 C 128.1 0.2 1 540 49 PHE CZ C 130.0 0.2 1 541 49 PHE N N 111.1 0.2 1 542 50 ILE H H 8.46 0.02 1 543 50 ILE HA H 5.37 0.02 1 544 50 ILE HB H 1.82 0.02 1 545 50 ILE HG12 H 0.63 0.02 2 546 50 ILE HG13 H 1.57 0.02 2 547 50 ILE HG2 H 1.06 0.02 1 548 50 ILE HD1 H 0.81 0.02 1 549 50 ILE C C 175.7 0.2 1 550 50 ILE CA C 59.4 0.2 1 551 50 ILE CB C 41.7 0.2 1 552 50 ILE CG1 C 28.6 0.2 1 553 50 ILE CG2 C 18.9 0.2 1 554 50 ILE CD1 C 14.4 0.2 1 555 50 ILE N N 119.7 0.2 1 556 51 ILE H H 9.42 0.02 1 557 51 ILE HA H 4.63 0.02 1 558 51 ILE HB H 1.58 0.02 1 559 51 ILE HG12 H 1.06 0.02 2 560 51 ILE HG13 H 1.81 0.02 2 561 51 ILE HG2 H 0.24 0.02 1 562 51 ILE HD1 H 0.80 0.02 1 563 51 ILE C C 174.0 0.2 1 564 51 ILE CA C 60.6 0.2 1 565 51 ILE CB C 40.1 0.2 1 566 51 ILE CG1 C 28.6 0.2 1 567 51 ILE CG2 C 15.8 0.2 1 568 51 ILE CD1 C 13.8 0.2 1 569 51 ILE N N 125.5 0.2 1 570 52 CYS H H 9.38 0.02 1 571 52 CYS HA H 4.35 0.02 1 572 52 CYS HB2 H 2.60 0.02 1 573 52 CYS HB3 H 2.60 0.02 1 574 52 CYS C C 174.5 0.2 1 575 52 CYS CA C 56.2 0.2 1 576 52 CYS CB C 29.6 0.2 1 577 52 CYS N N 127.7 0.2 1 578 53 PHE H H 7.37 0.02 1 579 53 PHE HA H 4.81 0.02 1 580 53 PHE HB2 H 3.08 0.02 1 581 53 PHE HB3 H 3.08 0.02 1 582 53 PHE HD1 H 7.08 0.02 1 583 53 PHE HD2 H 7.08 0.02 1 584 53 PHE HE1 H 6.87 0.02 1 585 53 PHE HE2 H 6.87 0.02 1 586 53 PHE HZ H 7.04 0.02 1 587 53 PHE C C 175.6 0.2 1 588 53 PHE CA C 60.4 0.2 1 589 53 PHE CB C 39.8 0.2 1 590 53 PHE CD1 C 132.1 0.2 1 591 53 PHE CD2 C 132.1 0.2 1 592 53 PHE CE1 C 127.9 0.2 1 593 53 PHE CE2 C 127.9 0.2 1 594 53 PHE CZ C 130.7 0.2 3 595 53 PHE N N 124.3 0.2 1 596 54 HIS H H 8.65 0.02 1 597 54 HIS HA H 3.95 0.02 1 598 54 HIS HB2 H 3.49 0.02 2 599 54 HIS HB3 H 3.66 0.02 2 600 54 HIS HD2 H 7.53 0.02 1 601 54 HIS HE1 H 7.37 0.02 1 602 54 HIS C C 172.6 0.2 1 603 54 HIS CA C 58.1 0.2 1 604 54 HIS CB C 25.5 0.2 1 605 54 HIS CD2 C 120.6 0.2 1 606 54 HIS CE1 C 138.3 0.2 1 607 54 HIS N N 113.5 0.2 1 608 55 LYS H H 7.81 0.02 1 609 55 LYS HA H 4.45 0.02 1 610 55 LYS HB2 H 1.67 0.02 2 611 55 LYS HB3 H 2.33 0.02 2 612 55 LYS HG2 H 1.27 0.02 2 613 55 LYS HG3 H 1.45 0.02 2 614 55 LYS HD2 H 1.70 0.02 1 615 55 LYS HD3 H 1.70 0.02 1 616 55 LYS HE2 H 3.13 0.02 1 617 55 LYS HE3 H 3.13 0.02 1 618 55 LYS C C 172.3 0.2 1 619 55 LYS CA C 55.4 0.2 1 620 55 LYS CB C 33.9 0.2 1 621 55 LYS CG C 22.3 0.2 1 622 55 LYS CD C 29.5 0.2 1 623 55 LYS CE C 41.6 0.2 1 624 55 LYS N N 112.7 0.2 1 625 56 HIS H H 8.53 0.02 1 626 56 HIS HA H 4.90 0.02 1 627 56 HIS HB2 H 2.87 0.02 2 628 56 HIS HB3 H 3.21 0.02 2 629 56 HIS C C 175.1 0.2 1 630 56 HIS CA C 54.8 0.2 1 631 56 HIS CB C 30.8 0.2 1 632 56 HIS N N 118.7 0.2 1 633 57 VAL H H 8.89 0.02 1 634 57 VAL HA H 5.00 0.02 1 635 57 VAL HB H 1.80 0.02 1 636 57 VAL HG1 H 0.52 0.02 1 637 57 VAL HG2 H -0.13 0.02 1 638 57 VAL C C 173.7 0.2 1 639 57 VAL CA C 59.1 0.2 1 640 57 VAL CB C 34.0 0.2 1 641 57 VAL CG1 C 22.0 0.2 1 642 57 VAL CG2 C 17.2 0.2 1 643 57 VAL N N 119.5 0.2 1 644 58 ARG H H 9.15 0.02 1 645 58 ARG HA H 4.68 0.02 1 646 58 ARG HB2 H 1.46 0.02 2 647 58 ARG HB3 H 1.81 0.02 2 648 58 ARG HG2 H 1.37 0.02 2 649 58 ARG HG3 H 1.45 0.02 2 650 58 ARG HD2 H 3.09 0.02 1 651 58 ARG HD3 H 3.09 0.02 1 652 58 ARG C C 174.9 0.2 1 653 58 ARG CA C 55.4 0.2 1 654 58 ARG CB C 30.8 0.2 1 655 58 ARG CG C 27.4 0.2 1 656 58 ARG CD C 43.4 0.2 1 657 58 ARG N N 122.8 0.2 1 658 59 ILE H H 9.00 0.02 1 659 59 ILE HA H 4.09 0.02 1 660 59 ILE HB H 1.90 0.02 1 661 59 ILE HG12 H 0.80 0.02 2 662 59 ILE HG13 H 1.50 0.02 2 663 59 ILE HG2 H 1.22 0.02 1 664 59 ILE HD1 H 0.80 0.02 1 665 59 ILE C C 175.4 0.2 1 666 59 ILE CA C 61.9 0.2 1 667 59 ILE CB C 40.4 0.2 1 668 59 ILE CG1 C 29.2 0.2 1 669 59 ILE CG2 C 18.7 0.2 1 670 59 ILE CD1 C 14.8 0.2 1 671 59 ILE N N 127.2 0.2 1 672 60 GLU H H 9.29 0.02 1 673 60 GLU HA H 4.80 0.02 1 674 60 GLU HB2 H 1.78 0.02 2 675 60 GLU HB3 H 2.16 0.02 2 676 60 GLU HG2 H 2.28 0.02 1 677 60 GLU HG3 H 2.28 0.02 1 678 60 GLU C C 176.4 0.2 1 679 60 GLU CA C 56.4 0.2 1 680 60 GLU CB C 32.3 0.2 1 681 60 GLU CG C 35.8 0.2 1 682 60 GLU N N 121.7 0.2 1 683 61 ARG H H 7.64 0.02 1 684 61 ARG HA H 5.03 0.02 1 685 61 ARG HB2 H 1.84 0.02 1 686 61 ARG HB3 H 1.84 0.02 1 687 61 ARG HG2 H 1.47 0.02 1 688 61 ARG HG3 H 1.47 0.02 1 689 61 ARG HD2 H 3.16 0.02 1 690 61 ARG HD3 H 3.16 0.02 1 691 61 ARG HE H 7.47 0.02 1 692 61 ARG C C 173.7 0.2 1 693 61 ARG CA C 56.2 0.2 1 694 61 ARG CB C 34.6 0.2 1 695 61 ARG CG C 27.8 0.2 1 696 61 ARG CD C 43.4 0.2 1 697 61 ARG N N 117.2 0.2 1 698 61 ARG NE N 83.9 0.2 1 699 62 LEU H H 9.18 0.02 1 700 62 LEU HA H 5.57 0.02 1 701 62 LEU HB2 H 1.54 0.02 2 702 62 LEU HB3 H 1.63 0.02 2 703 62 LEU HG H 1.74 0.02 1 704 62 LEU HD1 H 0.82 0.02 1 705 62 LEU HD2 H 1.10 0.02 1 706 62 LEU C C 175.3 0.2 1 707 62 LEU CA C 53.8 0.2 1 708 62 LEU CB C 47.1 0.2 1 709 62 LEU CG C 27.4 0.2 1 710 62 LEU CD1 C 27.0 0.2 1 711 62 LEU CD2 C 25.7 0.2 1 712 62 LEU N N 124.2 0.2 1 713 63 VAL H H 8.85 0.02 1 714 63 VAL HA H 5.08 0.02 1 715 63 VAL HB H 1.84 0.02 1 716 63 VAL HG1 H 0.86 0.02 1 717 63 VAL HG2 H 0.86 0.02 1 718 63 VAL C C 175.3 0.2 1 719 63 VAL CA C 61.7 0.2 1 720 63 VAL CB C 35.3 0.2 1 721 63 VAL CG1 C 21.1 0.2 1 722 63 VAL CG2 C 21.1 0.2 1 723 63 VAL N N 121.0 0.2 1 724 64 ILE H H 9.08 0.02 1 725 64 ILE HA H 4.97 0.02 1 726 64 ILE HB H 1.83 0.02 1 727 64 ILE HG12 H 1.35 0.02 2 728 64 ILE HG13 H 1.72 0.02 2 729 64 ILE HG2 H 1.05 0.02 1 730 64 ILE HD1 H 0.99 0.02 1 731 64 ILE C C 173.9 0.2 1 732 64 ILE CA C 59.6 0.2 1 733 64 ILE CB C 41.8 0.2 1 734 64 ILE CG1 C 28.9 0.2 1 735 64 ILE CG2 C 16.8 0.2 1 736 64 ILE CD1 C 14.8 0.2 1 737 64 ILE N N 127.8 0.2 1 738 65 GLN H H 8.83 0.02 1 739 65 GLN HA H 6.02 0.02 1 740 65 GLN HB2 H 2.07 0.02 2 741 65 GLN HB3 H 2.13 0.02 2 742 65 GLN HG2 H 2.30 0.02 1 743 65 GLN HG3 H 2.30 0.02 1 744 65 GLN CA C 54.5 0.2 1 745 65 GLN CB C 31.3 0.2 1 746 65 GLN CG C 34.5 0.2 1 747 65 GLN N N 124.5 0.2 1 748 66 SER HA H 4.75 0.02 1 749 66 SER HB2 H 3.82 0.02 1 750 66 SER HB3 H 3.82 0.02 1 751 66 SER CA C 55.5 0.2 1 752 66 SER CB C 67.9 0.2 1 753 67 TYR H H 9.47 0.02 1 754 67 TYR HA H 4.65 0.02 1 755 67 TYR HB2 H 2.42 0.02 2 756 67 TYR HB3 H 2.67 0.02 2 757 67 TYR HD1 H 6.76 0.02 1 758 67 TYR HD2 H 6.76 0.02 1 759 67 TYR HE1 H 6.36 0.02 1 760 67 TYR HE2 H 6.36 0.02 1 761 67 TYR C C 175.1 0.2 1 762 67 TYR CA C 60.2 0.2 1 763 67 TYR CB C 42.7 0.2 1 764 67 TYR CD1 C 132.4 0.2 1 765 67 TYR CD2 C 132.4 0.2 1 766 67 TYR CE1 C 118.0 0.2 1 767 67 TYR CE2 C 118.0 0.2 1 768 67 TYR N N 119.4 0.2 1 769 68 PHE H H 8.78 0.02 1 770 68 PHE HA H 3.99 0.02 1 771 68 PHE HB2 H 3.36 0.02 2 772 68 PHE HB3 H 3.78 0.02 2 773 68 PHE HD1 H 6.45 0.02 1 774 68 PHE HD2 H 6.45 0.02 1 775 68 PHE HE1 H 7.06 0.02 1 776 68 PHE HE2 H 7.06 0.02 1 777 68 PHE HZ H 7.27 0.02 1 778 68 PHE C C 175.3 0.2 1 779 68 PHE CA C 58.0 0.2 1 780 68 PHE CB C 36.2 0.2 1 781 68 PHE CD1 C 129.8 0.2 1 782 68 PHE CD2 C 129.8 0.2 1 783 68 PHE CE1 C 131.4 0.2 1 784 68 PHE CE2 C 131.4 0.2 1 785 68 PHE CZ C 129.7 0.2 3 786 68 PHE N N 114.9 0.2 1 787 69 VAL H H 8.88 0.02 1 788 69 VAL HA H 3.49 0.02 1 789 69 VAL HB H 2.51 0.02 1 790 69 VAL HG1 H 0.94 0.02 1 791 69 VAL HG2 H 1.18 0.02 1 792 69 VAL C C 174.1 0.2 1 793 69 VAL CA C 65.8 0.2 1 794 69 VAL CB C 31.8 0.2 1 795 69 VAL CG1 C 22.5 0.2 1 796 69 VAL CG2 C 23.6 0.2 1 797 69 VAL N N 123.3 0.2 1 798 70 GLN H H 7.97 0.02 1 799 70 GLN HA H 4.57 0.02 1 800 70 GLN HB2 H -0.14 0.02 2 801 70 GLN HB3 H 1.33 0.02 2 802 70 GLN HG2 H 1.65 0.02 2 803 70 GLN HG3 H 1.93 0.02 2 804 70 GLN HE21 H 6.57 0.02 1 805 70 GLN HE22 H 6.49 0.02 1 806 70 GLN C C 173.5 0.2 1 807 70 GLN CA C 56.6 0.2 1 808 70 GLN CB C 27.9 0.2 1 809 70 GLN CG C 33.5 0.2 1 810 70 GLN CD C 179.6 0.2 1 811 70 GLN N N 126.9 0.2 1 812 70 GLN NE2 N 110.2 0.2 1 813 71 THR H H 7.17 0.02 1 814 71 THR HA H 4.94 0.02 1 815 71 THR HB H 3.66 0.02 1 816 71 THR HG2 H 1.12 0.02 1 817 71 THR C C 172.1 0.2 1 818 71 THR CA C 63.3 0.2 1 819 71 THR CB C 70.6 0.2 1 820 71 THR CG2 C 21.6 0.2 1 821 71 THR N N 116.2 0.2 1 822 72 LEU H H 9.16 0.02 1 823 72 LEU HA H 5.35 0.02 1 824 72 LEU HB2 H 1.21 0.02 2 825 72 LEU HB3 H 1.80 0.02 2 826 72 LEU HG H 1.43 0.02 1 827 72 LEU HD1 H 0.97 0.02 1 828 72 LEU HD2 H 0.90 0.02 1 829 72 LEU C C 174.2 0.2 1 830 72 LEU CA C 52.8 0.2 1 831 72 LEU CB C 46.9 0.2 1 832 72 LEU CG C 27.2 0.2 1 833 72 LEU CD1 C 23.6 0.2 1 834 72 LEU CD2 C 27.1 0.2 1 835 72 LEU N N 130.1 0.2 1 836 73 LYS H H 9.40 0.02 1 837 73 LYS HA H 5.12 0.02 1 838 73 LYS HB2 H 1.68 0.02 2 839 73 LYS HB3 H 1.86 0.02 2 840 73 LYS HG2 H 1.35 0.02 2 841 73 LYS HG3 H 1.42 0.02 2 842 73 LYS HD2 H 1.73 0.02 2 843 73 LYS HD3 H 1.59 0.02 2 844 73 LYS HE2 H 2.87 0.02 1 845 73 LYS HE3 H 2.87 0.02 1 846 73 LYS C C 174.6 0.2 1 847 73 LYS CA C 54.9 0.2 1 848 73 LYS CB C 36.4 0.2 1 849 73 LYS CG C 26.0 0.2 1 850 73 LYS CD C 29.5 0.2 1 851 73 LYS CE C 41.9 0.2 1 852 73 LYS N N 125.1 0.2 1 853 74 ILE H H 9.05 0.02 1 854 74 ILE HA H 4.94 0.02 1 855 74 ILE HB H 1.48 0.02 1 856 74 ILE HG12 H 0.41 0.02 2 857 74 ILE HG13 H 1.18 0.02 2 858 74 ILE HG2 H 0.45 0.02 1 859 74 ILE HD1 H 0.55 0.02 1 860 74 ILE C C 175.5 0.2 1 861 74 ILE CA C 60.0 0.2 1 862 74 ILE CB C 40.3 0.2 1 863 74 ILE CG1 C 26.6 0.2 1 864 74 ILE CG2 C 17.7 0.2 1 865 74 ILE CD1 C 14.7 0.2 1 866 74 ILE N N 121.0 0.2 1 867 75 GLU H H 9.43 0.02 1 868 75 GLU HA H 5.27 0.02 1 869 75 GLU HB2 H 1.77 0.02 1 870 75 GLU HB3 H 1.77 0.02 1 871 75 GLU HG2 H 2.07 0.02 1 872 75 GLU HG3 H 2.07 0.02 1 873 75 GLU C C 175.9 0.2 1 874 75 GLU CA C 54.2 0.2 1 875 75 GLU CB C 34.0 0.2 1 876 75 GLU CG C 36.1 0.2 1 877 75 GLU N N 126.0 0.2 1 878 76 LYS H H 8.98 0.02 1 879 76 LYS HA H 5.68 0.02 1 880 76 LYS HB2 H 1.41 0.02 2 881 76 LYS HB3 H 1.55 0.02 2 882 76 LYS HG2 H 0.98 0.02 2 883 76 LYS HG3 H 1.30 0.02 2 884 76 LYS HD2 H -0.44 0.02 2 885 76 LYS HD3 H 0.97 0.02 2 886 76 LYS HE2 H 2.28 0.02 1 887 76 LYS HE3 H 2.28 0.02 1 888 76 LYS C C 174.1 0.2 1 889 76 LYS CA C 54.4 0.2 1 890 76 LYS CB C 37.6 0.2 1 891 76 LYS CG C 22.7 0.2 1 892 76 LYS CD C 27.5 0.2 1 893 76 LYS CE C 41.3 0.2 1 894 76 LYS N N 117.1 0.2 1 895 77 SER H H 8.38 0.02 1 896 77 SER HA H 5.00 0.02 1 897 77 SER HB2 H 2.44 0.02 2 898 77 SER HB3 H 2.92 0.02 2 899 77 SER HG H 5.30 0.02 1 900 77 SER C C 174.6 0.2 1 901 77 SER CA C 55.3 0.2 1 902 77 SER CB C 65.8 0.2 1 903 77 SER N N 116.9 0.2 1 904 78 THR H H 8.85 0.02 1 905 78 THR HA H 4.80 0.02 1 906 78 THR HB H 4.51 0.02 1 907 78 THR HG2 H 0.99 0.02 1 908 78 THR C C 174.6 0.2 1 909 78 THR CA C 62.3 0.2 1 910 78 THR CB C 67.9 0.2 1 911 78 THR CG2 C 22.4 0.2 1 912 78 THR N N 116.0 0.2 1 913 79 SER H H 8.47 0.02 1 914 79 SER HA H 4.47 0.02 1 915 79 SER HB2 H 3.90 0.02 2 916 79 SER HB3 H 4.15 0.02 2 917 79 SER C C 174.2 0.2 1 918 79 SER CA C 58.8 0.2 1 919 79 SER CB C 63.6 0.2 1 920 79 SER N N 118.9 0.2 1 921 80 LYS H H 8.51 0.02 1 922 80 LYS HA H 4.26 0.02 1 923 80 LYS HB2 H 1.94 0.02 1 924 80 LYS HB3 H 1.94 0.02 1 925 80 LYS HG2 H 1.52 0.02 2 926 80 LYS HG3 H 1.59 0.02 2 927 80 LYS HD2 H 1.76 0.02 1 928 80 LYS HD3 H 1.76 0.02 1 929 80 LYS HE2 H 3.06 0.02 1 930 80 LYS HE3 H 3.06 0.02 1 931 80 LYS C C 178.2 0.2 1 932 80 LYS CA C 59.1 0.2 1 933 80 LYS CB C 32.7 0.2 1 934 80 LYS CG C 25.4 0.2 1 935 80 LYS CD C 29.3 0.2 1 936 80 LYS CE C 42.2 0.2 1 937 80 LYS N N 121.7 0.2 1 938 81 GLU H H 7.90 0.02 1 939 81 GLU HA H 4.63 0.02 1 940 81 GLU HB2 H 1.68 0.02 2 941 81 GLU HB3 H 1.99 0.02 2 942 81 GLU HG2 H 2.20 0.02 1 943 81 GLU HG3 H 2.20 0.02 1 944 81 GLU CA C 53.6 0.2 1 945 81 GLU CB C 30.8 0.2 1 946 81 GLU CG C 35.9 0.2 1 947 81 GLU N N 121.4 0.2 1 948 82 PRO HA H 3.23 0.02 1 949 82 PRO HB2 H 0.92 0.02 2 950 82 PRO HB3 H 2.05 0.02 2 951 82 PRO HG2 H 1.85 0.02 1 952 82 PRO HG3 H 1.85 0.02 1 953 82 PRO HD2 H 3.30 0.02 2 954 82 PRO HD3 H 3.55 0.02 2 955 82 PRO C C 173.0 0.2 1 956 82 PRO CA C 61.4 0.2 1 957 82 PRO CB C 26.4 0.2 1 958 82 PRO CG C 27.2 0.2 1 959 82 PRO CD C 48.8 0.2 1 960 83 VAL H H 8.21 0.02 1 961 83 VAL HA H 4.42 0.02 1 962 83 VAL HB H 2.05 0.02 1 963 83 VAL HG1 H 0.67 0.02 1 964 83 VAL HG2 H 0.59 0.02 1 965 83 VAL C C 173.5 0.2 1 966 83 VAL CA C 58.7 0.2 1 967 83 VAL CB C 36.0 0.2 1 968 83 VAL CG1 C 21.4 0.2 1 969 83 VAL CG2 C 17.9 0.2 1 970 83 VAL N N 119.8 0.2 1 971 84 ASP H H 8.50 0.02 1 972 84 ASP HA H 4.23 0.02 1 973 84 ASP HB2 H 2.73 0.02 1 974 84 ASP HB3 H 2.73 0.02 1 975 84 ASP C C 175.8 0.2 1 976 84 ASP CA C 55.3 0.2 1 977 84 ASP CB C 38.2 0.2 1 978 84 ASP N N 117.5 0.2 1 979 85 PHE H H 8.13 0.02 1 980 85 PHE HA H 4.20 0.02 1 981 85 PHE HB2 H 2.84 0.02 2 982 85 PHE HB3 H 3.02 0.02 2 983 85 PHE HD1 H 6.86 0.02 1 984 85 PHE HD2 H 6.86 0.02 1 985 85 PHE HE1 H 6.54 0.02 1 986 85 PHE HE2 H 6.54 0.02 1 987 85 PHE HZ H 6.89 0.02 3 988 85 PHE C C 176.7 0.2 1 989 85 PHE CA C 60.2 0.2 1 990 85 PHE CB C 40.2 0.2 1 991 85 PHE CD1 C 131.0 0.2 1 992 85 PHE CD2 C 131.0 0.2 1 993 85 PHE CE1 C 127.4 0.2 1 994 85 PHE CE2 C 127.4 0.2 1 995 85 PHE CZ C 131.8 0.2 1 996 85 PHE N N 116.2 0.2 1 997 86 GLU H H 9.23 0.02 1 998 86 GLU HA H 4.78 0.02 1 999 86 GLU HB2 H 2.06 0.02 2 1000 86 GLU HB3 H 2.15 0.02 2 1001 86 GLU HG2 H 2.40 0.02 1 1002 86 GLU HG3 H 2.40 0.02 1 1003 86 GLU C C 175.9 0.2 1 1004 86 GLU CA C 54.2 0.2 1 1005 86 GLU CB C 33.2 0.2 1 1006 86 GLU CG C 35.8 0.2 1 1007 86 GLU N N 121.9 0.2 1 1008 87 GLN H H 8.70 0.02 1 1009 87 GLN HA H 4.16 0.02 1 1010 87 GLN HB2 H 2.15 0.02 1 1011 87 GLN HB3 H 2.15 0.02 1 1012 87 GLN HG2 H 2.50 0.02 1 1013 87 GLN HG3 H 2.50 0.02 1 1014 87 GLN HE21 H 7.69 0.02 1 1015 87 GLN HE22 H 6.79 0.02 1 1016 87 GLN C C 175.1 0.2 1 1017 87 GLN CA C 58.1 0.2 1 1018 87 GLN CB C 28.7 0.2 1 1019 87 GLN CG C 33.8 0.2 1 1020 87 GLN CD C 180.3 0.2 1 1021 87 GLN N N 122.5 0.2 1 1022 87 GLN NE2 N 112.3 0.2 1 1023 88 TRP H H 9.02 0.02 1 1024 88 TRP HA H 5.29 0.02 1 1025 88 TRP HB2 H 2.97 0.02 2 1026 88 TRP HB3 H 3.77 0.02 2 1027 88 TRP HD1 H 7.46 0.02 1 1028 88 TRP HE1 H 9.86 0.02 1 1029 88 TRP HE3 H 6.75 0.02 1 1030 88 TRP HZ2 H 6.79 0.02 1 1031 88 TRP HZ3 H 6.34 0.02 1 1032 88 TRP HH2 H 6.74 0.02 1 1033 88 TRP C C 174.2 0.2 1 1034 88 TRP CA C 58.1 0.2 1 1035 88 TRP CB C 30.7 0.2 1 1036 88 TRP CD1 C 125.5 0.2 1 1037 88 TRP CE3 C 121.3 0.2 1 1038 88 TRP CZ2 C 113.3 0.2 1 1039 88 TRP CZ3 C 117.9 0.2 1 1040 88 TRP CH2 C 123.4 0.2 1 1041 88 TRP N N 125.6 0.2 1 1042 88 TRP NE1 N 128.5 0.2 1 1043 89 ILE H H 8.50 0.02 1 1044 89 ILE HA H 4.39 0.02 1 1045 89 ILE HB H 1.27 0.02 1 1046 89 ILE HG12 H 0.25 0.02 1 1047 89 ILE HG13 H 0.25 0.02 1 1048 89 ILE HG2 H 0.52 0.02 1 1049 89 ILE HD1 H -0.30 0.02 1 1050 89 ILE C C 174.8 0.2 1 1051 89 ILE CA C 59.3 0.2 1 1052 89 ILE CB C 42.1 0.2 1 1053 89 ILE CG1 C 26.4 0.2 1 1054 89 ILE CG2 C 17.0 0.2 1 1055 89 ILE CD1 C 12.5 0.2 1 1056 89 ILE N N 119.6 0.2 1 1057 90 GLU H H 8.41 0.02 1 1058 90 GLU HA H 5.10 0.02 1 1059 90 GLU HB2 H 1.96 0.02 1 1060 90 GLU HB3 H 1.96 0.02 1 1061 90 GLU HG2 H 2.08 0.02 1 1062 90 GLU HG3 H 2.08 0.02 1 1063 90 GLU C C 174.2 0.2 1 1064 90 GLU CA C 56.0 0.2 1 1065 90 GLU CB C 32.4 0.2 1 1066 90 GLU CG C 35.9 0.2 1 1067 90 GLU N N 128.0 0.2 1 1068 91 LYS H H 9.17 0.02 1 1069 91 LYS HA H 4.64 0.02 1 1070 91 LYS HB2 H 1.49 0.02 2 1071 91 LYS HB3 H 1.65 0.02 2 1072 91 LYS HG2 H 1.26 0.02 2 1073 91 LYS HG3 H 1.32 0.02 2 1074 91 LYS HD2 H 1.61 0.02 2 1075 91 LYS HD3 H 1.71 0.02 2 1076 91 LYS HE2 H 2.96 0.02 1 1077 91 LYS HE3 H 2.96 0.02 1 1078 91 LYS C C 173.0 0.2 1 1079 91 LYS CA C 54.9 0.2 1 1080 91 LYS CB C 37.2 0.2 1 1081 91 LYS CG C 24.6 0.2 1 1082 91 LYS CD C 28.6 0.2 1 1083 91 LYS CE C 42.0 0.2 1 1084 91 LYS N N 125.4 0.2 1 1085 92 ASP H H 8.35 0.02 1 1086 92 ASP HA H 5.47 0.02 1 1087 92 ASP HB2 H 2.55 0.02 2 1088 92 ASP HB3 H 2.62 0.02 2 1089 92 ASP C C 175.9 0.2 1 1090 92 ASP CA C 53.1 0.2 1 1091 92 ASP CB C 41.5 0.2 1 1092 92 ASP N N 123.7 0.2 1 1093 93 LEU H H 9.01 0.02 1 1094 93 LEU HA H 4.59 0.02 1 1095 93 LEU HB2 H 1.84 0.02 2 1096 93 LEU HB3 H 1.95 0.02 2 1097 93 LEU HG H 1.64 0.02 1 1098 93 LEU HD1 H 0.76 0.02 1 1099 93 LEU HD2 H 0.72 0.02 1 1100 93 LEU CA C 55.2 0.2 1 1101 93 LEU CB C 42.7 0.2 1 1102 93 LEU CG C 29.3 0.2 1 1103 93 LEU CD1 C 25.3 0.2 1 1104 93 LEU CD2 C 24.8 0.2 1 1105 93 LEU N N 126.5 0.2 1 1106 94 VAL H H 8.32 0.02 1 1107 94 VAL HA H 4.40 0.02 1 1108 94 VAL HB H 2.08 0.02 1 1109 94 VAL HG1 H 0.93 0.02 2 1110 94 VAL HG2 H 0.98 0.02 2 1111 94 VAL C C 176.5 0.2 1 1112 94 VAL CA C 61.4 0.2 1 1113 94 VAL CB C 33.6 0.2 1 1114 94 VAL CG1 C 21.3 0.2 2 1115 94 VAL CG2 C 20.8 0.2 2 1116 94 VAL N N 116.2 0.2 1 1117 95 HIS H H 8.36 0.02 1 1118 95 HIS HA H 4.55 0.02 1 1119 95 HIS HB2 H 1.44 0.02 2 1120 95 HIS HB3 H 2.09 0.02 2 1121 95 HIS HD2 H 6.62 0.02 1 1122 95 HIS C C 174.3 0.2 1 1123 95 HIS CA C 55.6 0.2 1 1124 95 HIS CB C 30.9 0.2 1 1125 95 HIS CD2 C 117.1 0.2 1 1126 95 HIS N N 126.2 0.2 1 1127 96 THR H H 8.41 0.02 1 1128 96 THR HA H 4.00 0.02 1 1129 96 THR HB H 3.76 0.02 1 1130 96 THR HG2 H 1.01 0.02 1 1131 96 THR C C 172.9 0.2 1 1132 96 THR CA C 60.8 0.2 1 1133 96 THR CB C 70.1 0.2 1 1134 96 THR CG2 C 21.4 0.2 1 1135 96 THR N N 124.6 0.2 1 1136 97 GLU H H 8.34 0.02 1 1137 97 GLU HA H 3.93 0.02 1 1138 97 GLU HB2 H 1.93 0.02 2 1139 97 GLU HB3 H 1.98 0.02 2 1140 97 GLU HG2 H 2.26 0.02 1 1141 97 GLU HG3 H 2.26 0.02 1 1142 97 GLU C C 177.4 0.2 1 1143 97 GLU CA C 58.1 0.2 1 1144 97 GLU CB C 29.5 0.2 1 1145 97 GLU CG C 35.7 0.2 1 1146 97 GLU N N 125.0 0.2 1 1147 98 GLY H H 8.82 0.02 1 1148 98 GLY HA2 H 3.71 0.02 2 1149 98 GLY HA3 H 4.15 0.02 2 1150 98 GLY C C 173.3 0.2 1 1151 98 GLY CA C 45.6 0.2 1 1152 98 GLY N N 112.7 0.2 1 1153 99 GLN H H 7.86 0.02 1 1154 99 GLN HA H 4.61 0.02 1 1155 99 GLN HB2 H 1.72 0.02 2 1156 99 GLN HB3 H 2.04 0.02 2 1157 99 GLN HG2 H 2.23 0.02 1 1158 99 GLN HG3 H 2.23 0.02 1 1159 99 GLN HE21 H 7.59 0.02 1 1160 99 GLN HE22 H 6.84 0.02 1 1161 99 GLN C C 174.1 0.2 1 1162 99 GLN CA C 53.8 0.2 1 1163 99 GLN CB C 31.8 0.2 1 1164 99 GLN CG C 33.3 0.2 1 1165 99 GLN CD C 180.4 0.2 1 1166 99 GLN N N 118.4 0.2 1 1167 99 GLN NE2 N 112.3 0.2 1 1168 100 LEU H H 8.28 0.02 1 1169 100 LEU HA H 3.95 0.02 1 1170 100 LEU HB2 H 1.33 0.02 2 1171 100 LEU HB3 H 1.41 0.02 2 1172 100 LEU HG H 1.38 0.02 1 1173 100 LEU HD1 H 0.23 0.02 1 1174 100 LEU HD2 H 0.19 0.02 1 1175 100 LEU C C 178.0 0.2 1 1176 100 LEU CA C 55.6 0.2 1 1177 100 LEU CB C 42.0 0.2 1 1178 100 LEU CG C 26.1 0.2 1 1179 100 LEU CD1 C 24.2 0.2 1 1180 100 LEU CD2 C 23.1 0.2 1 1181 100 LEU N N 122.4 0.2 1 1182 101 GLN H H 9.36 0.02 1 1183 101 GLN HA H 4.35 0.02 1 1184 101 GLN HB2 H 2.00 0.02 2 1185 101 GLN HB3 H 2.50 0.02 2 1186 101 GLN HG2 H 2.60 0.02 1 1187 101 GLN HG3 H 2.60 0.02 1 1188 101 GLN C C 175.3 0.2 1 1189 101 GLN CA C 55.9 0.2 1 1190 101 GLN CB C 28.9 0.2 1 1191 101 GLN CG C 36.2 0.2 1 1192 101 GLN N N 122.3 0.2 1 1193 102 ASN H H 8.59 0.02 1 1194 102 ASN HA H 5.42 0.02 1 1195 102 ASN HB2 H 2.50 0.02 2 1196 102 ASN HB3 H 2.78 0.02 2 1197 102 ASN HD21 H 7.26 0.02 1 1198 102 ASN HD22 H 6.62 0.02 1 1199 102 ASN C C 173.9 0.2 1 1200 102 ASN CA C 52.7 0.2 1 1201 102 ASN CB C 40.7 0.2 1 1202 102 ASN CG C 176.8 0.2 1 1203 102 ASN N N 123.8 0.2 1 1204 102 ASN ND2 N 111.1 0.2 1 1205 103 GLU H H 8.84 0.02 1 1206 103 GLU HA H 4.73 0.02 1 1207 103 GLU HB2 H 1.82 0.02 2 1208 103 GLU HB3 H 1.96 0.02 2 1209 103 GLU HG2 H 2.11 0.02 1 1210 103 GLU HG3 H 2.11 0.02 1 1211 103 GLU C C 174.1 0.2 1 1212 103 GLU CA C 54.9 0.2 1 1213 103 GLU CB C 32.3 0.2 1 1214 103 GLU CG C 35.1 0.2 1 1215 103 GLU N N 124.6 0.2 1 1216 104 GLU H H 8.65 0.02 1 1217 104 GLU HA H 5.11 0.02 1 1218 104 GLU HB2 H 1.97 0.02 1 1219 104 GLU HB3 H 1.97 0.02 1 1220 104 GLU HG2 H 2.07 0.02 2 1221 104 GLU HG3 H 2.14 0.02 2 1222 104 GLU C C 175.6 0.2 1 1223 104 GLU CA C 54.8 0.2 1 1224 104 GLU CB C 31.3 0.2 1 1225 104 GLU CG C 36.6 0.2 1 1226 104 GLU N N 125.1 0.2 1 1227 105 ILE H H 9.52 0.02 1 1228 105 ILE HA H 4.27 0.02 1 1229 105 ILE HB H 1.63 0.02 1 1230 105 ILE HG12 H 0.90 0.02 2 1231 105 ILE HG13 H 1.43 0.02 2 1232 105 ILE HG2 H 0.63 0.02 1 1233 105 ILE HD1 H 0.63 0.02 1 1234 105 ILE C C 174.9 0.2 1 1235 105 ILE CA C 60.5 0.2 1 1236 105 ILE CB C 41.2 0.2 1 1237 105 ILE CG1 C 27.2 0.2 1 1238 105 ILE CG2 C 17.5 0.2 1 1239 105 ILE CD1 C 13.9 0.2 1 1240 105 ILE N N 127.2 0.2 1 1241 106 VAL H H 8.81 0.02 1 1242 106 VAL HA H 3.99 0.02 1 1243 106 VAL HB H 2.06 0.02 1 1244 106 VAL HG1 H 0.98 0.02 1 1245 106 VAL HG2 H 0.98 0.02 1 1246 106 VAL C C 174.6 0.2 1 1247 106 VAL CA C 64.0 0.2 1 1248 106 VAL CB C 30.7 0.2 1 1249 106 VAL CG1 C 21.2 0.2 1 1250 106 VAL CG2 C 21.2 0.2 1 1251 106 VAL N N 129.4 0.2 1 1252 107 ALA H H 7.31 0.02 1 1253 107 ALA HA H 4.29 0.02 1 1254 107 ALA HB H 0.76 0.02 1 1255 107 ALA C C 173.0 0.2 1 1256 107 ALA CA C 51.6 0.2 1 1257 107 ALA CB C 21.4 0.2 1 1258 107 ALA N N 131.7 0.2 1 1259 108 HIS H H 8.37 0.02 1 1260 108 HIS HA H 5.80 0.02 1 1261 108 HIS HB2 H 3.22 0.02 1 1262 108 HIS HB3 H 3.22 0.02 1 1263 108 HIS HD2 H 7.20 0.02 1 1264 108 HIS C C 176.3 0.2 1 1265 108 HIS CA C 53.9 0.2 1 1266 108 HIS CB C 31.3 0.2 1 1267 108 HIS CD2 C 119.8 0.2 1 1268 108 HIS N N 116.6 0.2 1 1269 109 GLY H H 8.31 0.02 1 1270 109 GLY HA2 H 3.47 0.02 2 1271 109 GLY HA3 H 4.12 0.02 2 1272 109 GLY C C 170.5 0.2 1 1273 109 GLY CA C 45.4 0.2 1 1274 109 GLY N N 111.1 0.2 1 1275 110 SER H H 8.39 0.02 1 1276 110 SER HA H 5.55 0.02 1 1277 110 SER HB2 H 3.78 0.02 1 1278 110 SER HB3 H 3.78 0.02 1 1279 110 SER C C 173.0 0.2 1 1280 110 SER CA C 57.4 0.2 1 1281 110 SER CB C 64.7 0.2 1 1282 110 SER N N 118.4 0.2 1 1283 111 ALA H H 9.06 0.02 1 1284 111 ALA HA H 4.80 0.02 1 1285 111 ALA HB H 1.25 0.02 1 1286 111 ALA C C 175.5 0.2 1 1287 111 ALA CA C 52.4 0.2 1 1288 111 ALA CB C 23.9 0.2 1 1289 111 ALA N N 122.1 0.2 1 1290 112 THR H H 9.73 0.02 1 1291 112 THR HA H 5.04 0.02 1 1292 112 THR HB H 3.89 0.02 1 1293 112 THR HG1 H 5.68 0.02 1 1294 112 THR HG2 H 0.67 0.02 1 1295 112 THR C C 176.9 0.2 1 1296 112 THR CA C 62.4 0.2 1 1297 112 THR CB C 68.7 0.2 1 1298 112 THR CG2 C 22.9 0.2 1 1299 112 THR N N 109.2 0.2 1 1300 113 TYR H H 7.83 0.02 1 1301 113 TYR HA H 5.67 0.02 1 1302 113 TYR HB2 H 2.70 0.02 2 1303 113 TYR HB3 H 3.00 0.02 2 1304 113 TYR HD1 H 7.04 0.02 1 1305 113 TYR HD2 H 7.04 0.02 1 1306 113 TYR HE1 H 6.60 0.02 1 1307 113 TYR HE2 H 6.60 0.02 1 1308 113 TYR C C 175.5 0.2 1 1309 113 TYR CA C 57.1 0.2 1 1310 113 TYR CB C 45.4 0.2 1 1311 113 TYR CD1 C 132.5 0.2 1 1312 113 TYR CD2 C 132.5 0.2 1 1313 113 TYR CE1 C 118.1 0.2 1 1314 113 TYR CE2 C 118.1 0.2 1 1315 113 TYR N N 119.3 0.2 1 1316 114 LEU H H 8.91 0.02 1 1317 114 LEU HA H 5.51 0.02 1 1318 114 LEU HB2 H 1.33 0.02 2 1319 114 LEU HB3 H 1.88 0.02 2 1320 114 LEU HG H 1.91 0.02 1 1321 114 LEU HD1 H 1.18 0.02 1 1322 114 LEU HD2 H 1.06 0.02 1 1323 114 LEU C C 174.3 0.2 1 1324 114 LEU CA C 53.6 0.2 1 1325 114 LEU CB C 47.7 0.2 1 1326 114 LEU CG C 27.5 0.2 1 1327 114 LEU CD1 C 26.9 0.2 1 1328 114 LEU CD2 C 24.4 0.2 1 1329 114 LEU N N 118.0 0.2 1 1330 115 ARG H H 8.94 0.02 1 1331 115 ARG HA H 4.64 0.02 1 1332 115 ARG HB2 H 0.22 0.02 2 1333 115 ARG HB3 H 1.04 0.02 2 1334 115 ARG HG2 H 0.77 0.02 2 1335 115 ARG HG3 H 0.85 0.02 2 1336 115 ARG HD2 H 2.08 0.02 2 1337 115 ARG HD3 H 2.43 0.02 2 1338 115 ARG HE H 7.26 0.02 1 1339 115 ARG C C 172.7 0.2 1 1340 115 ARG CA C 54.8 0.2 1 1341 115 ARG CB C 33.4 0.2 1 1342 115 ARG CG C 26.0 0.2 1 1343 115 ARG CD C 43.5 0.2 1 1344 115 ARG N N 124.8 0.2 1 1345 115 ARG NE N 84.23 0.2 1 1346 116 PHE H H 8.93 0.02 1 1347 116 PHE HA H 4.59 0.02 1 1348 116 PHE HB2 H 1.46 0.02 2 1349 116 PHE HB3 H 1.88 0.02 2 1350 116 PHE HD1 H 6.88 0.02 1 1351 116 PHE HD2 H 6.88 0.02 1 1352 116 PHE HE1 H 7.14 0.02 3 1353 116 PHE HE2 H 7.17 0.02 3 1354 116 PHE HZ H 7.06 0.02 1 1355 116 PHE C C 173.6 0.2 1 1356 116 PHE CA C 56.6 0.2 1 1357 116 PHE CB C 40.9 0.2 1 1358 116 PHE CD1 C 131.8 0.2 1 1359 116 PHE CD2 C 131.8 0.2 1 1360 116 PHE CE1 C 130.5 0.2 1 1361 116 PHE CE2 C 130.5 0.2 1 1362 116 PHE CZ C 128.8 0.2 1 1363 116 PHE N N 128.0 0.2 1 1364 117 ILE H H 9.35 0.02 1 1365 117 ILE HA H 4.62 0.02 1 1366 117 ILE HB H 1.80 0.02 1 1367 117 ILE HG12 H 0.72 0.02 2 1368 117 ILE HG13 H 1.19 0.02 2 1369 117 ILE HG2 H 0.82 0.02 1 1370 117 ILE HD1 H 0.55 0.02 1 1371 117 ILE C C 176.1 0.2 1 1372 117 ILE CA C 60.5 0.2 1 1373 117 ILE CB C 40.7 0.2 1 1374 117 ILE CG1 C 27.4 0.2 1 1375 117 ILE CG2 C 18.6 0.2 1 1376 117 ILE CD1 C 14.4 0.2 1 1377 117 ILE N N 121.2 0.2 1 1378 118 ILE H H 9.76 0.02 1 1379 118 ILE HA H 4.48 0.02 1 1380 118 ILE HB H 2.30 0.02 1 1381 118 ILE HG12 H 1.27 0.02 2 1382 118 ILE HG13 H 1.93 0.02 2 1383 118 ILE HG2 H 0.98 0.02 1 1384 118 ILE HD1 H 1.26 0.02 1 1385 118 ILE C C 174.8 0.2 1 1386 118 ILE CA C 61.3 0.2 1 1387 118 ILE CB C 37.7 0.2 1 1388 118 ILE CG1 C 27.7 0.2 1 1389 118 ILE CG2 C 20.2 0.2 1 1390 118 ILE CD1 C 14.5 0.2 1 1391 118 ILE N N 128.1 0.2 1 1392 119 VAL H H 8.55 0.02 1 1393 119 VAL HA H 3.65 0.02 1 1394 119 VAL HB H 1.78 0.02 1 1395 119 VAL HG1 H 0.96 0.02 2 1396 119 VAL HG2 H 0.99 0.02 2 1397 119 VAL C C 175.4 0.2 1 1398 119 VAL CA C 65.4 0.2 1 1399 119 VAL CB C 32.9 0.2 1 1400 119 VAL CG1 C 20.7 0.2 2 1401 119 VAL CG2 C 22.6 0.2 2 1402 119 VAL N N 129.2 0.2 1 1403 120 SER H H 7.59 0.02 1 1404 120 SER HA H 4.10 0.02 1 1405 120 SER HB2 H 3.66 0.02 1 1406 120 SER HB3 H 3.66 0.02 1 1407 120 SER C C 171.5 0.2 1 1408 120 SER CA C 56.3 0.2 1 1409 120 SER CB C 65.3 0.2 1 1410 120 SER N N 107.7 0.2 1 1411 121 ALA H H 8.30 0.02 1 1412 121 ALA HA H 4.76 0.02 1 1413 121 ALA HB H 0.76 0.02 1 1414 121 ALA C C 176.2 0.2 1 1415 121 ALA CA C 50.5 0.2 1 1416 121 ALA CB C 24.9 0.2 1 1417 121 ALA N N 123.0 0.2 1 1418 122 PHE H H 8.67 0.02 1 1419 122 PHE HA H 4.16 0.02 1 1420 122 PHE HB2 H 1.96 0.02 2 1421 122 PHE HB3 H 3.01 0.02 2 1422 122 PHE HD1 H 6.84 0.02 1 1423 122 PHE HD2 H 6.84 0.02 1 1424 122 PHE HE1 H 7.35 0.02 1 1425 122 PHE HE2 H 7.35 0.02 1 1426 122 PHE HZ H 7.58 0.02 1 1427 122 PHE C C 173.6 0.2 1 1428 122 PHE CA C 59.2 0.2 1 1429 122 PHE CB C 40.3 0.2 1 1430 122 PHE CD1 C 131.1 0.2 1 1431 122 PHE CD2 C 131.1 0.2 1 1432 122 PHE CE1 C 132.3 0.2 1 1433 122 PHE CE2 C 132.3 0.2 1 1434 122 PHE CZ C 130.4 0.2 1 1435 122 PHE N N 115.8 0.2 1 1436 123 ASP H H 6.91 0.02 1 1437 123 ASP HA H 4.26 0.02 1 1438 123 ASP HB2 H 1.03 0.02 2 1439 123 ASP HB3 H 1.59 0.02 2 1440 123 ASP C C 175.6 0.2 1 1441 123 ASP CA C 52.2 0.2 1 1442 123 ASP CB C 42.9 0.2 1 1443 123 ASP N N 118.6 0.2 1 1444 124 HIS H H 10.96 0.02 1 1445 124 HIS HA H 4.46 0.02 1 1446 124 HIS HB2 H 3.24 0.02 1 1447 124 HIS HB3 H 3.24 0.02 1 1448 124 HIS HD2 H 7.30 0.02 1 1449 124 HIS C C 172.8 0.2 1 1450 124 HIS CA C 57.2 0.2 1 1451 124 HIS CB C 29.3 0.2 1 1452 124 HIS CD2 C 120.7 0.2 1 1453 124 HIS N N 120.1 0.2 1 1454 125 PHE H H 7.31 0.02 1 1455 125 PHE HA H 4.70 0.02 1 1456 125 PHE HB2 H 2.82 0.02 2 1457 125 PHE HB3 H 3.10 0.02 2 1458 125 PHE HD1 H 6.68 0.02 1 1459 125 PHE HD2 H 6.68 0.02 1 1460 125 PHE HE1 H 7.28 0.02 1 1461 125 PHE HE2 H 7.28 0.02 1 1462 125 PHE C C 170.1 0.2 1 1463 125 PHE CA C 54.9 0.2 1 1464 125 PHE CB C 41.1 0.2 1 1465 125 PHE CD1 C 131.9 0.2 1 1466 125 PHE CD2 C 131.9 0.2 1 1467 125 PHE CE1 C 130.9 0.2 1 1468 125 PHE CE2 C 130.9 0.2 1 1469 125 PHE N N 116.4 0.2 1 1470 126 ALA H H 8.38 0.02 1 1471 126 ALA HA H 4.91 0.02 1 1472 126 ALA HB H 1.51 0.02 1 1473 126 ALA C C 175.6 0.2 1 1474 126 ALA CA C 51.0 0.2 1 1475 126 ALA CB C 23.3 0.2 1 1476 126 ALA N N 117.2 0.2 1 1477 127 SER H H 8.81 0.02 1 1478 127 SER HA H 6.01 0.02 1 1479 127 SER HB2 H 3.58 0.02 2 1480 127 SER HB3 H 3.68 0.02 2 1481 127 SER C C 173.8 0.2 1 1482 127 SER CA C 56.6 0.2 1 1483 127 SER CB C 67.0 0.2 1 1484 127 SER N N 112.6 0.2 1 1485 128 VAL H H 9.44 0.02 1 1486 128 VAL HA H 4.57 0.02 1 1487 128 VAL HB H 2.30 0.02 1 1488 128 VAL HG1 H 1.02 0.02 1 1489 128 VAL HG2 H 1.29 0.02 1 1490 128 VAL CA C 62.9 0.2 1 1491 128 VAL CB C 34.8 0.2 1 1492 128 VAL CG1 C 22.9 0.2 1 1493 128 VAL CG2 C 21.0 0.2 1 1494 128 VAL N N 121.2 0.2 1 1495 129 HIS H H 9.65 0.02 1 1496 129 HIS HA H 4.81 0.02 1 1497 129 HIS HD2 H 7.17 0.02 1 1498 129 HIS C C 176.6 0.2 1 1499 129 HIS CA C 57.9 0.2 1 1500 129 HIS CD2 C 119.9 0.2 1 1501 130 SER H H 8.36 0.02 1 1502 130 SER HA H 5.53 0.02 1 1503 130 SER HB2 H 3.74 0.02 2 1504 130 SER HB3 H 3.94 0.02 2 1505 130 SER C C 172.8 0.2 1 1506 130 SER CA C 57.9 0.2 1 1507 130 SER CB C 66.7 0.2 1 1508 130 SER N N 114.5 0.2 1 1509 131 VAL H H 7.46 0.02 1 1510 131 VAL HA H 4.70 0.02 1 1511 131 VAL HB H 1.57 0.02 1 1512 131 VAL HG1 H 0.88 0.02 1 1513 131 VAL HG2 H 0.69 0.02 1 1514 131 VAL C C 173.9 0.2 1 1515 131 VAL CA C 63.3 0.2 1 1516 131 VAL CB C 34.7 0.2 1 1517 131 VAL CG1 C 22.1 0.2 1 1518 131 VAL CG2 C 22.3 0.2 1 1519 131 VAL N N 122.8 0.2 1 1520 132 SER H H 9.02 0.02 1 1521 132 SER HA H 5.63 0.02 1 1522 132 SER HB2 H 3.44 0.02 2 1523 132 SER HB3 H 3.77 0.02 2 1524 132 SER C C 172.8 0.2 1 1525 132 SER CA C 56.9 0.2 1 1526 132 SER CB C 67.0 0.2 1 1527 132 SER N N 121.0 0.2 1 1528 133 ALA H H 8.24 0.02 1 1529 133 ALA HA H 5.62 0.02 1 1530 133 ALA HB H 1.54 0.02 1 1531 133 ALA C C 175.8 0.2 1 1532 133 ALA CA C 51.0 0.2 1 1533 133 ALA CB C 23.4 0.2 1 1534 133 ALA N N 122.8 0.2 1 1535 134 GLU H H 8.78 0.02 1 1536 134 GLU HA H 5.06 0.02 1 1537 134 GLU HB2 H 1.97 0.02 2 1538 134 GLU HB3 H 2.08 0.02 2 1539 134 GLU HG2 H 2.31 0.02 1 1540 134 GLU HG3 H 2.31 0.02 1 1541 134 GLU C C 176.3 0.2 1 1542 134 GLU CA C 54.2 0.2 1 1543 134 GLU CB C 33.0 0.2 1 1544 134 GLU CG C 36.4 0.2 1 1545 134 GLU N N 121.5 0.2 1 1546 135 GLY H H 8.73 0.02 1 1547 135 GLY HA2 H 3.95 0.02 2 1548 135 GLY HA3 H 5.21 0.02 2 1549 135 GLY C C 172.0 0.2 1 1550 135 GLY CA C 46.0 0.2 1 1551 135 GLY N N 110.8 0.2 1 1552 136 THR H H 8.74 0.02 1 1553 136 THR HA H 4.84 0.02 1 1554 136 THR HB H 4.08 0.02 1 1555 136 THR HG2 H 1.19 0.02 1 1556 136 THR C C 172.8 0.2 1 1557 136 THR CA C 59.9 0.2 1 1558 136 THR CB C 72.4 0.2 1 1559 136 THR CG2 C 21.9 0.2 1 1560 136 THR N N 113.7 0.2 1 1561 137 VAL H H 8.69 0.02 1 1562 137 VAL HA H 4.08 0.02 1 1563 137 VAL HB H 2.03 0.02 1 1564 137 VAL HG1 H 0.92 0.02 2 1565 137 VAL HG2 H 0.97 0.02 2 1566 137 VAL C C 176.1 0.2 1 1567 137 VAL CA C 63.4 0.2 1 1568 137 VAL CB C 32.8 0.2 1 1569 137 VAL CG1 C 21.6 0.2 2 1570 137 VAL CG2 C 21.3 0.2 2 1571 137 VAL N N 122.7 0.2 1 1572 138 VAL H H 8.83 0.02 1 1573 138 VAL HA H 3.95 0.02 1 1574 138 VAL HB H 1.64 0.02 1 1575 138 VAL HG1 H 0.71 0.02 1 1576 138 VAL HG2 H 0.59 0.02 1 1577 138 VAL C C 176.0 0.2 1 1578 138 VAL CA C 63.5 0.2 1 1579 138 VAL CB C 32.3 0.2 1 1580 138 VAL CG1 C 21.0 0.2 1 1581 138 VAL CG2 C 21.1 0.2 1 1582 138 VAL N N 128.4 0.2 1 1583 139 SER H H 8.15 0.02 1 1584 139 SER HA H 4.57 0.02 1 1585 139 SER HB2 H 3.83 0.02 2 1586 139 SER HB3 H 3.94 0.02 2 1587 139 SER C C 173.7 0.2 1 1588 139 SER CA C 58.1 0.2 1 1589 139 SER CB C 64.6 0.2 1 1590 139 SER N N 116.2 0.2 1 1591 140 ASN H H 8.65 0.02 1 1592 140 ASN HA H 4.81 0.02 1 1593 140 ASN HB2 H 2.81 0.02 2 1594 140 ASN HB3 H 2.89 0.02 2 1595 140 ASN HD21 H 7.62 0.02 1 1596 140 ASN HD22 H 6.92 0.02 1 1597 140 ASN C C 175.1 0.2 1 1598 140 ASN CA C 53.5 0.2 1 1599 140 ASN CB C 38.9 0.2 1 1600 140 ASN CG C 176.8 0.2 1 1601 140 ASN N N 120.9 0.2 1 1602 140 ASN ND2 N 112.3 0.2 1 1603 141 LEU H H 8.30 0.02 1 1604 141 LEU HA H 4.46 0.02 1 1605 141 LEU HB2 H 1.59 0.02 1 1606 141 LEU HB3 H 1.59 0.02 1 1607 141 LEU HG H 1.57 0.02 1 1608 141 LEU HD1 H 0.87 0.02 1 1609 141 LEU HD2 H 0.84 0.02 1 1610 141 LEU C C 177.0 0.2 1 1611 141 LEU CA C 55.3 0.2 1 1612 141 LEU CB C 42.4 0.2 1 1613 141 LEU CG C 27.3 0.2 1 1614 141 LEU CD1 C 25.0 0.2 1 1615 141 LEU CD2 C 23.4 0.2 1 1616 141 LEU N N 121.7 0.2 1 1617 142 SER H H 8.30 0.02 1 1618 142 SER HA H 4.51 0.02 1 1619 142 SER HB2 H 3.91 0.02 1 1620 142 SER HB3 H 3.91 0.02 1 1621 142 SER C C 173.6 0.2 1 1622 142 SER CA C 64.1 0.2 1 1623 142 SER CB C 58.5 0.2 1 1624 142 SER N N 116.7 0.2 1 1625 143 SER H H 7.99 0.02 1 1626 143 SER HA H 4.30 0.02 1 1627 143 SER HB2 H 3.88 0.02 1 1628 143 SER HB3 H 3.88 0.02 1 1629 143 SER CA C 60.1 0.2 1 1630 143 SER CB C 64.7 0.2 1 1631 143 SER N N 123.0 0.2 1 stop_ save_