data_7242 #Corrected using PDB structure: 1JR2B # #N.B. (Observed* = Observed shift + Offset correction) # #After reference correction, the following residues still #have a HA chemical shift difference (obs*-pred) greater than 0.7ppm: #NUM AA CS Observed* Predicted #115 T HA 4.59 3.46 #116 E HA 4.48 3.59 # #After reference correction, the following residues still #have a CA chemical shift difference (obs*-pred) greater than 5.0ppm: #NUM AA CS Observed* Predicted #225 I CA 57.91 63.38 # #After reference correction, the following residues still #have a CB chemical shift difference (obs*-pred) greater than 5.0ppm: #NUM AA CS Observed* Predicted #115 T CB 70.82 65.52 # #After reference correction, the following residues still #have a HN chemical shift difference (obs*-pred) greater than 2.0ppm: #NUM AA CS Observed* Predicted #176 G H 10.42 8.10 # #The average CS difference between predicted and observed: #HA CA CB CO N HN #-0.07 0.08 0.15 N/A -0.08 0.06 # #bmr7242.str.corr chemical shifts have been re-referenced with the following #offsets (these values have been added to the original bmr7242.str file): #HA CA CB CO N HN #N/A +0.11 +0.11 N/A -0.08 N/A # #The 95% confidence intervals for the above recommended offsets are: # HA CA CB CO N HN #+/-0.02 +/-0.08 +/-0.10 N/A +/-0.20 +/-0.04 # #The Correlation Coefficients between predicted and observed #chemical shifts are: #HA CA CB CO N HN #0.892 0.976 0.996 N/A 0.893 0.624 # #The RMSD between predicted and observed* (reference #corrected) chemical shifts are: #HA CA CB CO N HN #0.139 0.676 0.773 N/A 1.493 0.306 # save_entry_information _Saveframe_category entry_information _Entry_title ; 13Ca resonances (100%), 1Ha(99.6%), non-proline backbone 1HN and 15N (94%), and side-chain 13C and 1H (85%) chemical shift assignment for URO-synthase ; loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Cunha Luis . . 2 Kuti Miklos . . 3 Bishop David F. . 4 Mezei Mihaly . . 5 Zeng Lei . . 6 Zhou Ming-Ming . . 7 Desnick Robert J. . stop_ _BMRB_accession_number 7242 _BMRB_flat_file_name bmr7242.str _Entry_type new _Submission_date 2006-07-24 _Accession_date 2006-10-12 _Entry_origination author _NMR_STAR_version 2.1.1 _Experimental_method NMR loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 1531 "13C chemical shifts" 789 "15N chemical shifts" 241 stop_ save_ save_entry_citation _Saveframe_category entry_citation _Citation_title "Human uroporphyrinogen III synthase: NMR-based mapping of the active site" _Citation_status published _Citation_type journal _PubMed_ID 18004775 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Cunha Luis . . 2 Kuti Miklos . . 3 Bishop David F. . 4 Mezei Mihaly . . 5 Zeng Lei . . 6 Zhou Ming-Ming . . 7 Desnick Robert J. . stop_ _Journal_abbreviation Proteins _Journal_volume ? _Journal_issue ? _Page_first ? _Page_last ? _Year 2007 loop_ _Keyword NMR "Heme Biosynthesis" stop_ save_ save_assembly _Saveframe_category molecular_system _Mol_system_name "Uroporphyrinogen-III-Synthase (URO-synthase)" _Abbreviation_common "Uroporphyrinogen-III-Synthase (URO-synthase)" loop_ _Mol_system_component_name _Mol_label "Uroporphyrinogen-III-Synthase (URO-synthase)" $URO-synthase stop_ _System_physical_state native _System_oligomer_state monomer _System_paramagnetic no _System_thiol_state "free and bound" save_ save_URO-synthase _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common Uroporphyrinogen-III-synthase _Mol_thiol_state "free and bound" _Residue_count 266 _Mol_residue_sequence ; SMKVLLLKDAKEDDCGQDPY IRELGLYGLEATLIPVLSFE FLSLPSFSEKLSHPEDYGGL IFTSPRAVEAAELCLEQNNK TEVWERSLKEKWNAKSVYVV GNATASLVSKIGLDTEGETC GNAEKLAEYICSRESSALPL LFPCGNLKREILPKALKDKG IAMESITVYQTVAHPGIQGN LNSYYSQQGVPASITFFSPS GLTYSLKHIQELSGDNIDQI KFAAIGPTTARALAAQGLPV SCTAESPTPQALATGIRKAL QPHGCC ; loop_ _Residue_seq_code _Residue_label 1 SER 2 MET 3 LYS 4 VAL 5 LEU 6 LEU 7 LEU 8 LYS 9 ASP 10 ALA 11 LYS 12 GLU 13 ASP 14 ASP 15 CYS 16 GLY 17 GLN 18 ASP 19 PRO 20 TYR 21 ILE 22 ARG 23 GLU 24 LEU 25 GLY 26 LEU 27 TYR 28 GLY 29 LEU 30 GLU 31 ALA 32 THR 33 LEU 34 ILE 35 PRO 36 VAL 37 LEU 38 SER 39 PHE 40 GLU 41 PHE 42 LEU 43 SER 44 LEU 45 PRO 46 SER 47 PHE 48 SER 49 GLU 50 LYS 51 LEU 52 SER 53 HIS 54 PRO 55 GLU 56 ASP 57 TYR 58 GLY 59 GLY 60 LEU 61 ILE 62 PHE 63 THR 64 SER 65 PRO 66 ARG 67 ALA 68 VAL 69 GLU 70 ALA 71 ALA 72 GLU 73 LEU 74 CYS 75 LEU 76 GLU 77 GLN 78 ASN 79 ASN 80 LYS 81 THR 82 GLU 83 VAL 84 TRP 85 GLU 86 ARG 87 SER 88 LEU 89 LYS 90 GLU 91 LYS 92 TRP 93 ASN 94 ALA 95 LYS 96 SER 97 VAL 98 TYR 99 VAL 100 VAL 101 GLY 102 ASN 103 ALA 104 THR 105 ALA 106 SER 107 LEU 108 VAL 109 SER 110 LYS 111 ILE 112 GLY 113 LEU 114 ASP 115 THR 116 GLU 117 GLY 118 GLU 119 THR 120 CYS 121 GLY 122 ASN 123 ALA 124 GLU 125 LYS 126 LEU 127 ALA 128 GLU 129 TYR 130 ILE 131 CYS 132 SER 133 ARG 134 GLU 135 SER 136 SER 137 ALA 138 LEU 139 PRO 140 LEU 141 LEU 142 PHE 143 PRO 144 CYS 145 GLY 146 ASN 147 LEU 148 LYS 149 ARG 150 GLU 151 ILE 152 LEU 153 PRO 154 LYS 155 ALA 156 LEU 157 LYS 158 ASP 159 LYS 160 GLY 161 ILE 162 ALA 163 MET 164 GLU 165 SER 166 ILE 167 THR 168 VAL 169 TYR 170 GLN 171 THR 172 VAL 173 ALA 174 HIS 175 PRO 176 GLY 177 ILE 178 GLN 179 GLY 180 ASN 181 LEU 182 ASN 183 SER 184 TYR 185 TYR 186 SER 187 GLN 188 GLN 189 GLY 190 VAL 191 PRO 192 ALA 193 SER 194 ILE 195 THR 196 PHE 197 PHE 198 SER 199 PRO 200 SER 201 GLY 202 LEU 203 THR 204 TYR 205 SER 206 LEU 207 LYS 208 HIS 209 ILE 210 GLN 211 GLU 212 LEU 213 SER 214 GLY 215 ASP 216 ASN 217 ILE 218 ASP 219 GLN 220 ILE 221 LYS 222 PHE 223 ALA 224 ALA 225 ILE 226 GLY 227 PRO 228 THR 229 THR 230 ALA 231 ARG 232 ALA 233 LEU 234 ALA 235 ALA 236 GLN 237 GLY 238 LEU 239 PRO 240 VAL 241 SER 242 CYS 243 THR 244 ALA 245 GLU 246 SER 247 PRO 248 THR 249 PRO 250 GLN 251 ALA 252 LEU 253 ALA 254 THR 255 GLY 256 ILE 257 ARG 258 LYS 259 ALA 260 LEU 261 GLN 262 PRO 263 HIS 264 GLY 265 CYS 266 CYS stop_ save_ save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species $URO-synthase "Ulp1 yeast" 4932 Eubacteria Fungi Saccharomyces cerevisiae stop_ save_ save_experimental_source _Saveframe_category experimental_source loop_ _Mol_label _Production_method _Host_organism_name_common _Genus _Species _Strain _Vector_name $URO-synthase "recombinant technology" ? ? ? ? ? stop_ save_ save_sample_1 _Saveframe_category sample _Sample_type solution loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $URO-synthase 0.7 mM "[U-2H; U-13C; U-15N]" "NaH2PO4 buffer" 20 mM ? NaCl 100 mM ? EDTA 1 mM ? "perdeuterated DTT" 2 mM ? H2O 90 % ? D2O 10 % ? stop_ save_ save_sample_2 _Saveframe_category sample _Sample_type solution loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $URO-synthase 0.7 mM [U-15N] "NaH2PO4 buffer" 20 mM ? NaCl 100 mM ? EDTA 1 mM ? "perdeuterated DTT" 2 mM ? H2O 90 % ? D2O 10 % ? stop_ save_ save_sample_3 _Saveframe_category sample _Sample_type solution loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $URO-synthase 0.7 mM [U-13C] "NaH2PO4 buffer" 20 mM ? NaCl 100 mM ? EDTA 1 mM ? "perdeuterated DTT" 2 mM ? H2O 90 % ? D2O 10 % ? stop_ save_ save_sample_4 _Saveframe_category sample _Sample_type solution loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $URO-synthase 0.7 mM "[U-2H; U-13C; U-15N]-{I(d1-13CH3),L(13CH3,12CD3),V(13CH3,12CD3)}" "NaH2PO4 buffer" 20 mM ? NaCl 100 mM ? EDTA 1 mM ? "perdeuterated DTT" 2 mM ? H2O 90 % ? D2O 10 % ? stop_ save_ save_sample_5 _Saveframe_category sample _Sample_type solution loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $URO-synthase 0.7 mM "[U-2H; U-15N]-{I(d1-13CH3),L(13CH3,13CH3),V(13CH3,13CH3),F(1H),Y(1H)}" "NaH2PO4 buffer" 20 mM ? NaCl 100 mM ? EDTA 1 mM ? "perdeuterated DTT" 2 mM ? H2O 90 % ? D2O 10 % ? stop_ save_ save_sample_6 _Saveframe_category sample _Sample_type solution loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $URO-synthase 0.7 mM "[10% 13C]" "NaH2PO4 buffer" 20 mM ? NaCl 100 mM ? EDTA 1 mM ? "perdeuterated DTT" 2 mM ? H2O 90 % ? D2O 10 % ? stop_ save_ save_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer ? _Model ? _Field_strength ? save_ save_NMR_experiment_list _Saveframe_category NMR_applied_experiment _Experiment_name ; HNCACB HNCOCACB 3D (H)C(CO)NH-TOCSY 3D H(CCO)NH-TOCSY 15N-TOCSY-HSQC 15N-NOESY-HSQC 13C-HSQC-NOESY 2D-TOCSY 2D-NOESY ; save_ save_HNCACB _Saveframe_category NMR_applied_experiment _Experiment_name HNCACB _Sample_label ? save_ save_HNCOCACB _Saveframe_category NMR_applied_experiment _Experiment_name HNCOCACB _Sample_label ? save_ save_3D_(H)C(CO)NH-TOCSY _Saveframe_category NMR_applied_experiment _Experiment_name "3D (H)C(CO)NH-TOCSY" _Sample_label ? save_ save_3D_H(CCO)NH-TOCSY _Saveframe_category NMR_applied_experiment _Experiment_name "3D H(CCO)NH-TOCSY" _Sample_label ? save_ save_15N-TOCSY-HSQC _Saveframe_category NMR_applied_experiment _Experiment_name 15N-TOCSY-HSQC _Sample_label ? save_ save_15N-NOESY-HSQC _Saveframe_category NMR_applied_experiment _Experiment_name 15N-NOESY-HSQC _Sample_label ? save_ save_13C-HSQC-NOESY _Saveframe_category NMR_applied_experiment _Experiment_name 13C-HSQC-NOESY _Sample_label ? save_ save_2D-TOCSY _Saveframe_category NMR_applied_experiment _Experiment_name 2D-TOCSY _Sample_label ? save_ save_2D-NOESY _Saveframe_category NMR_applied_experiment _Experiment_name 2D-NOESY _Sample_label ? save_ save_conditions_1 _Saveframe_category sample_conditions loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units pH 7.45 0.2 pH temperature 300 ? K stop_ save_ save_chemical_shift_referencing _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 H2O H 1 protons ppm 4.74 direct internal ? ? ? 1.0 stop_ save_ save_chem_shift_list_1 _Saveframe_category assigned_chemical_shifts loop_ _Sample_label $sample_1 stop_ _Sample_conditions_label $conditions_1 _Chem_shift_reference_set_label $chemical_shift_referencing _Mol_system_component_name "Uroporphyrinogen-III-Synthase (URO-synthase)" 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 SER HA H 4.03 . 1 2 1 SER HB2 H 3.88 . 2 3 1 SER HB3 H 3.84 . 2 4 1 SER CA C 57.66 . 1 5 1 SER CB C 64.77 . 1 6 2 MET HA H 4.59 . 1 7 2 MET HB2 H 1.97 . 2 8 2 MET HB3 H 1.87 . 2 9 2 MET HG2 H 2.63 . 2 10 2 MET HG3 H 2.52 . 2 11 2 MET HE H 2.10 . 1 12 2 MET CA C 55.13 . 1 13 2 MET CB C 34.25 . 1 14 2 MET CG C 32.85 . 1 15 2 MET CE C 17.85 . 1 16 3 LYS H H 8.48 . 1 17 3 LYS HA H 4.92 . 1 18 3 LYS HB2 H 1.86 . 2 19 3 LYS HG2 H 1.47 . 2 20 3 LYS HG3 H 1.40 . 2 21 3 LYS HD2 H 1.66 . 2 22 3 LYS HD3 H 1.59 . 2 23 3 LYS HE2 H 3.00 . 2 24 3 LYS CA C 55.95 . 1 25 3 LYS CB C 33.51 . 1 26 3 LYS CG C 25.87 . 1 27 3 LYS CD C 29.08 . 1 28 3 LYS CE C 42.36 . 1 29 3 LYS N N 122.21 . 1 30 4 VAL H H 8.32 . 1 31 4 VAL HA H 4.79 . 1 32 4 VAL HB H 1.84 . 1 33 4 VAL HG1 H 0.69 . 1 34 4 VAL HG2 H 0.72 . 1 35 4 VAL CA C 59.40 . 1 36 4 VAL CB C 34.99 . 1 37 4 VAL CG1 C 21.91 . 1 38 4 VAL CG2 C 21.30 . 1 39 4 VAL N N 117.19 . 1 40 5 LEU H H 8.39 . 1 41 5 LEU HA H 4.87 . 1 42 5 LEU HB2 H 1.52 . 2 43 5 LEU HB3 H 1.02 . 2 44 5 LEU HD1 H 0.17 . 1 45 5 LEU HD2 H 0.31 . 1 46 5 LEU CA C 52.99 . 1 47 5 LEU CB C 45.10 . 1 48 5 LEU CD1 C 22.44 . 1 49 5 LEU CD2 C 24.44 . 1 50 5 LEU N N 125.84 . 1 51 6 LEU H H 9.19 . 1 52 6 LEU HA H 4.56 . 1 53 6 LEU HD1 H 0.68 . 1 54 6 LEU HD2 H 0.72 . 1 55 6 LEU CA C 53.48 . 1 56 6 LEU CB C 42.71 . 1 57 6 LEU CD1 C 26.50 . 1 58 6 LEU CD2 C 24.31 . 1 59 6 LEU N N 125.93 . 1 60 7 LEU H H 8.12 . 1 61 7 LEU HA H 5.27 . 1 62 7 LEU HB2 H 1.75 . 2 63 7 LEU HB3 H 1.39 . 2 64 7 LEU HD1 H 0.71 . 1 65 7 LEU HD2 H 0.73 . 1 66 7 LEU CA C 53.24 . 1 67 7 LEU CB C 38.69 . 1 68 7 LEU CD1 C 27.11 . 1 69 7 LEU CD2 C 24.41 . 1 70 7 LEU N N 127.09 . 1 71 8 LYS H H 7.19 . 1 72 8 LYS HA H 4.16 . 1 73 8 LYS HB2 H 1.05 . 2 74 8 LYS HB3 H 0.89 . 2 75 8 LYS HD2 H 0.62 . 2 76 8 LYS HD3 H 0.36 . 2 77 8 LYS HE2 H 2.34 . 2 78 8 LYS HE3 H 2.22 . 2 79 8 LYS CA C 55.21 . 1 80 8 LYS CB C 34.50 . 1 81 8 LYS CD C 28.34 . 1 82 8 LYS CE C 40.42 . 1 83 8 LYS N N 121.53 . 1 84 9 ASP H H 8.10 . 1 85 9 ASP HA H 4.41 . 1 86 9 ASP HB2 H 2.69 . 2 87 9 ASP CA C 56.19 . 1 88 9 ASP CB C 40.91 . 1 89 9 ASP N N 119.72 . 1 90 10 ALA H H 7.94 . 1 91 10 ALA HA H 4.62 . 1 92 10 ALA HB H 1.39 . 1 93 10 ALA CA C 51.26 . 1 94 10 ALA CB C 21.56 . 1 95 10 ALA N N 119.29 . 1 96 11 LYS H H 8.81 . 1 97 11 LYS HA H 4.36 . 1 98 11 LYS HB2 H 1.87 . 2 99 11 LYS HB3 H 1.69 . 2 100 11 LYS HG2 H 1.44 . 2 101 11 LYS HD2 H 1.74 . 2 102 11 LYS HE2 H 3.02 . 2 103 11 LYS CA C 55.95 . 1 104 11 LYS CB C 33.51 . 1 105 11 LYS CG C 24.95 . 1 106 11 LYS CD C 29.30 . 1 107 11 LYS CE C 42.13 . 1 108 11 LYS N N 122.21 . 1 109 12 GLU H H 9.00 . 1 110 12 GLU HA H 4.25 . 1 111 12 GLU HB2 H 2.23 . 2 112 12 GLU CA C 56.69 . 1 113 12 GLU CB C 30.71 . 1 114 12 GLU N N 125.16 . 1 115 13 ASP H H 8.40 . 1 116 13 ASP HA H 4.64 . 1 117 13 ASP HB2 H 2.71 . 2 118 13 ASP CA C 54.15 . 1 119 13 ASP CB C 41.77 . 1 120 13 ASP N N 120.63 . 1 121 14 ASP H H 8.39 . 1 122 14 ASP HA H 4.64 . 1 123 14 ASP HB2 H 2.77 . 2 124 14 ASP HB3 H 2.67 . 2 125 14 ASP CA C 54.71 . 1 126 14 ASP CB C 41.16 . 1 127 14 ASP N N 120.62 . 1 128 15 CYS H H 8.61 . 1 129 15 CYS HA H 4.42 . 1 130 15 CYS HB2 H 3.04 . 2 131 15 CYS HB3 H 2.97 . 2 132 15 CYS CA C 59.15 . 1 133 15 CYS CB C 27.35 . 1 134 15 CYS N N 117.92 . 1 135 16 GLY H H 8.37 . 1 136 16 GLY CA C 45.55 . 1 137 16 GLY N N 109.02 . 1 138 17 GLN H H 7.94 . 1 139 17 GLN HA H 4.54 . 1 140 17 GLN HB2 H 2.04 . 2 141 17 GLN HB3 H 1.91 . 2 142 17 GLN HG2 H 2.36 . 2 143 17 GLN CA C 54.71 . 1 144 17 GLN CB C 31.30 . 1 145 17 GLN CG C 34.01 . 1 146 17 GLN N N 118.41 . 1 147 18 ASP H H 8.83 . 1 148 18 ASP HA H 4.92 . 1 149 18 ASP HB2 H 2.61 . 2 150 18 ASP HB3 H 2.56 . 2 151 18 ASP CA C 52.99 . 1 152 18 ASP CB C 43.81 . 1 153 18 ASP N N 126.63 . 1 154 19 PRO HA H 4.27 . 1 155 19 PRO HB2 H 2.39 . 2 156 19 PRO HD2 H 4.02 . 2 157 19 PRO CA C 65.06 . 1 158 19 PRO CB C 32.71 . 1 159 19 PRO CD C 51.51 . 1 160 20 TYR H H 9.18 . 1 161 20 TYR HA H 3.98 . 1 162 20 TYR HB2 H 3.36 . 2 163 20 TYR HB3 H 2.64 . 2 164 20 TYR HD1 H 7.44 . 3 165 20 TYR HE1 H 6.84 . 3 166 20 TYR CA C 63.34 . 1 167 20 TYR CB C 37.46 . 1 168 20 TYR CD1 C 133.10 . 1 169 20 TYR CE1 C 118.63 . 1 170 20 TYR N N 118.99 . 1 171 21 ILE H H 7.85 . 1 172 21 ILE HA H 3.57 . 1 173 21 ILE HB H 2.18 . 1 174 21 ILE HG12 H 1.68 . 2 175 21 ILE HG13 H 1.12 . 2 176 21 ILE HG2 H 1.02 . 1 177 21 ILE HD1 H 0.88 . 1 178 21 ILE CA C 64.82 . 1 179 21 ILE CB C 37.46 . 1 180 21 ILE CG1 C 28.34 . 1 181 21 ILE CG2 C 16.83 . 1 182 21 ILE CD1 C 12.57 . 1 183 21 ILE N N 119.60 . 1 184 22 ARG H H 8.06 . 1 185 22 ARG HA H 3.99 . 1 186 22 ARG HB2 H 1.78 . 2 187 22 ARG HG2 H 1.45 . 2 188 22 ARG HD2 H 3.25 . 2 189 22 ARG HD3 H 3.16 . 2 190 22 ARG CA C 59.20 . 1 191 22 ARG CB C 30.61 . 1 192 22 ARG CG C 27.17 . 1 193 22 ARG CD C 43.38 . 1 194 22 ARG N N 119.26 . 1 195 23 GLU H H 7.87 . 1 196 23 GLU HA H 3.99 . 1 197 23 GLU HG2 H 2.23 . 2 198 23 GLU HG3 H 2.15 . 2 199 23 GLU CA C 59.23 . 1 200 23 GLU CB C 30.01 . 1 201 23 GLU CG C 35.24 . 1 202 23 GLU N N 118.24 . 1 203 24 LEU H H 7.75 . 1 204 24 LEU HA H 4.04 . 1 205 24 LEU HD1 H 0.90 . 2 206 24 LEU HD2 H 0.92 . 2 207 24 LEU CA C 59.40 . 1 208 24 LEU CB C 39.91 . 1 209 24 LEU CD1 C 25.65 . 1 210 24 LEU CD2 C 26.48 . 1 211 24 LEU N N 116.32 . 1 212 25 GLY H H 7.97 . 1 213 25 GLY HA2 H 4.16 . 2 214 25 GLY HA3 H 3.99 . 2 215 25 GLY CA C 46.85 . 1 216 25 GLY N N 105.91 . 1 217 26 LEU H H 7.55 . 1 218 26 LEU HA H 4.07 . 1 219 26 LEU HB2 H 1.71 . 2 220 26 LEU HB3 H 1.16 . 2 221 26 LEU HD1 H 0.83 . 1 222 26 LEU HD2 H 0.78 . 1 223 26 LEU CA C 57.11 . 1 224 26 LEU CB C 41.16 . 1 225 26 LEU CD1 C 25.31 . 1 226 26 LEU CD2 C 22.44 . 1 227 26 LEU N N 122.21 . 1 228 27 TYR H H 7.41 . 1 229 27 TYR HA H 4.65 . 1 230 27 TYR HB2 H 3.43 . 2 231 27 TYR HB3 H 2.71 . 2 232 27 TYR HD1 H 7.23 . 3 233 27 TYR HE1 H 6.84 . 3 234 27 TYR CA C 57.18 . 1 235 27 TYR CB C 38.69 . 1 236 27 TYR CD1 C 133.09 . 1 237 27 TYR CE1 C 118.29 . 1 238 27 TYR N N 116.09 . 1 239 28 GLY H H 7.84 . 1 240 28 GLY HA2 H 4.12 . 2 241 28 GLY HA3 H 3.85 . 2 242 28 GLY CA C 45.74 . 1 243 28 GLY N N 106.92 . 1 244 29 LEU H H 7.46 . 1 245 29 LEU HA H 4.76 . 1 246 29 LEU HD1 H 0.85 . 1 247 29 LEU HD2 H 0.77 . 1 248 29 LEU CA C 53.24 . 1 249 29 LEU CB C 42.41 . 1 250 29 LEU CD1 C 26.40 . 1 251 29 LEU CD2 C 24.65 . 1 252 29 LEU N N 119.49 . 1 253 30 GLU H H 8.55 . 1 254 30 GLU HA H 4.26 . 1 255 30 GLU HB2 H 2.00 . 2 256 30 GLU HB3 H 1.88 . 2 257 30 GLU HG2 H 2.21 . 2 258 30 GLU HG3 H 2.04 . 2 259 30 GLU CA C 55.68 . 1 260 30 GLU CB C 30.32 . 1 261 30 GLU CG C 36.14 . 1 262 30 GLU N N 124.71 . 1 263 31 ALA H H 8.57 . 1 264 31 ALA HA H 5.66 . 1 265 31 ALA HB H 1.22 . 1 266 31 ALA CA C 50.46 . 1 267 31 ALA CB C 23.16 . 1 268 31 ALA N N 130.68 . 1 269 32 THR H H 8.12 . 1 270 32 THR HA H 4.45 . 1 271 32 THR HB H 3.66 . 1 272 32 THR HG2 H 1.20 . 1 273 32 THR CA C 61.86 . 1 274 32 THR CB C 71.72 . 1 275 32 THR CG2 C 21.03 . 1 276 32 THR N N 117.56 . 1 277 33 LEU H H 9.03 . 1 278 33 LEU HA H 5.28 . 1 279 33 LEU HB2 H 1.72 . 2 280 33 LEU HB3 H 1.46 . 2 281 33 LEU HD1 H 0.78 . 1 282 33 LEU HD2 H 0.66 . 1 283 33 LEU CA C 54.22 . 1 284 33 LEU CB C 44.61 . 1 285 33 LEU CD1 C 27.01 . 1 286 33 LEU CD2 C 25.21 . 1 287 33 LEU N N 129.61 . 1 288 34 ILE H H 8.39 . 1 289 34 ILE HA H 4.43 . 1 290 34 ILE HB H 1.51 . 1 291 34 ILE HG2 H 0.70 . 1 292 34 ILE HD1 H 0.60 . 1 293 34 ILE CA C 57.92 . 1 294 34 ILE CB C 41.65 . 1 295 34 ILE CG2 C 16.11 . 1 296 34 ILE CD1 C 13.73 . 1 297 34 ILE N N 126.52 . 1 298 35 PRO HA H 4.63 . 1 299 35 PRO HB2 H 1.88 . 2 300 35 PRO HB3 H 1.65 . 2 301 35 PRO HD2 H 3.48 . 2 302 35 PRO HD3 H 3.38 . 2 303 35 PRO CA C 61.12 . 1 304 35 PRO CB C 32.53 . 1 305 35 PRO CD C 50.77 . 1 306 36 VAL H H 8.05 . 1 307 36 VAL HA H 4.66 . 1 308 36 VAL HB H 2.45 . 1 309 36 VAL HG1 H 1.04 . 1 310 36 VAL HG2 H 0.99 . 1 311 36 VAL CA C 61.12 . 1 312 36 VAL CB C 34.23 . 1 313 36 VAL CG1 C 23.23 . 1 314 36 VAL CG2 C 20.62 . 1 315 36 VAL N N 109.52 . 1 316 37 LEU H H 8.16 . 1 317 37 LEU HA H 5.27 . 1 318 37 LEU HB2 H 1.79 . 2 319 37 LEU HB3 H 1.40 . 2 320 37 LEU HD1 H 0.93 . 1 321 37 LEU HD2 H 0.88 . 1 322 37 LEU CA C 53.48 . 1 323 37 LEU CB C 45.10 . 1 324 37 LEU CD1 C 25.78 . 1 325 37 LEU CD2 C 23.57 . 1 326 37 LEU N N 120.97 . 1 327 38 SER H H 8.68 . 1 328 38 SER HA H 4.42 . 1 329 38 SER HB2 H 3.51 . 2 330 38 SER HB3 H 3.35 . 2 331 38 SER CA C 56.19 . 1 332 38 SER CB C 65.07 . 1 333 38 SER N N 114.62 . 1 334 39 PHE H H 8.30 . 1 335 39 PHE HA H 5.42 . 1 336 39 PHE HB2 H 2.63 . 2 337 39 PHE HD1 H 6.93 . 3 338 39 PHE HE1 H 7.15 . 3 339 39 PHE HZ H 7.21 . 1 340 39 PHE CA C 56.69 . 1 341 39 PHE CB C 41.90 . 1 342 39 PHE CD1 C 131.79 . 1 343 39 PHE N N 119.18 . 1 344 40 GLU H H 8.68 . 1 345 40 GLU HA H 4.49 . 1 346 40 GLU HB2 H 1.91 . 2 347 40 GLU HB3 H 1.80 . 2 348 40 GLU HG2 H 2.10 . 2 349 40 GLU CA C 53.98 . 1 350 40 GLU CB C 33.51 . 1 351 40 GLU N N 121.08 . 1 352 41 PHE H H 8.63 . 1 353 41 PHE HA H 5.51 . 1 354 41 PHE HB2 H 3.26 . 2 355 41 PHE HB3 H 2.91 . 2 356 41 PHE HD1 H 7.56 . 3 357 41 PHE HE1 H 7.42 . 3 358 41 PHE HZ H 7.29 . 1 359 41 PHE CA C 58.17 . 1 360 41 PHE CB C 40.91 . 1 361 41 PHE CD1 C 131.83 . 1 362 41 PHE CZ C 129.91 . 1 363 41 PHE N N 120.63 . 1 364 42 LEU H H 8.44 . 1 365 42 LEU HA H 4.72 . 1 366 42 LEU HB2 H 1.56 . 2 367 42 LEU HB3 H 1.40 . 2 368 42 LEU HD1 H 0.63 . 1 369 42 LEU HD2 H 0.70 . 1 370 42 LEU CA C 54.34 . 1 371 42 LEU CB C 45.84 . 1 372 42 LEU CD1 C 26.32 . 1 373 42 LEU CD2 C 24.34 . 1 374 42 LEU N N 121.53 . 1 375 43 SER H H 8.38 . 1 376 43 SER HA H 4.17 . 1 377 43 SER HB2 H 4.16 . 2 378 43 SER CA C 58.17 . 1 379 43 SER CB C 61.62 . 1 380 43 SER N N 106.34 . 1 381 44 LEU H H 8.59 . 1 382 44 LEU HA H 4.44 . 1 383 44 LEU HD1 H 0.82 . 1 384 44 LEU HD2 H 1.08 . 1 385 44 LEU CA C 58.91 . 1 386 44 LEU CB C 38.01 . 1 387 44 LEU CD1 C 26.32 . 1 388 44 LEU CD2 C 22.16 . 1 389 44 LEU N N 116.78 . 1 390 45 PRO HA H 4.25 . 1 391 45 PRO HD2 H 3.99 . 2 392 45 PRO HD3 H 3.81 . 2 393 45 PRO CA C 66.79 . 1 394 45 PRO CB C 31.21 . 1 395 46 SER H H 7.67 . 1 396 46 SER HA H 4.35 . 1 397 46 SER HB2 H 4.02 . 2 398 46 SER HB3 H 3.89 . 2 399 46 SER CA C 61.12 . 1 400 46 SER CB C 62.92 . 1 401 46 SER N N 113.62 . 1 402 47 PHE H H 8.69 . 1 403 47 PHE HA H 4.67 . 1 404 47 PHE HB2 H 3.50 . 2 405 47 PHE HB3 H 3.27 . 2 406 47 PHE HD1 H 7.21 . 3 407 47 PHE HE1 H 7.01 . 3 408 47 PHE CA C 56.96 . 1 409 47 PHE CB C 37.95 . 1 410 47 PHE N N 121.53 . 1 411 48 SER H H 8.56 . 1 412 48 SER HA H 3.88 . 1 413 48 SER HB2 H 3.84 . 2 414 48 SER HB3 H 3.54 . 2 415 48 SER CA C 62.11 . 1 416 48 SER CB C 63.10 . 1 417 48 SER N N 114.50 . 1 418 49 GLU H H 7.68 . 1 419 49 GLU HA H 4.30 . 1 420 49 GLU HB2 H 2.37 . 2 421 49 GLU HG2 H 2.48 . 2 422 49 GLU CA C 59.15 . 1 423 49 GLU CB C 29.57 . 1 424 49 GLU CG C 36.12 . 1 425 49 GLU N N 123.52 . 1 426 50 LYS H H 8.18 . 1 427 50 LYS HA H 4.62 . 1 428 50 LYS HE2 H 3.06 . 2 429 50 LYS HE3 H 2.91 . 2 430 50 LYS CA C 60.55 . 1 431 50 LYS CB C 32.61 . 1 432 50 LYS CE C 43.13 . 1 433 50 LYS N N 121.98 . 1 434 51 LEU H H 8.47 . 1 435 51 LEU HA H 4.54 . 1 436 51 LEU HB2 H 1.70 . 2 437 51 LEU HB3 H 1.45 . 2 438 51 LEU HG H 1.27 . 1 439 51 LEU HD1 H -0.31 . 1 440 51 LEU HD2 H 0.16 . 1 441 51 LEU CA C 57.43 . 1 442 51 LEU CB C 41.90 . 1 443 51 LEU CD1 C 24.86 . 1 444 51 LEU CD2 C 21.10 . 1 445 51 LEU N N 115.52 . 1 446 52 SER H H 7.55 . 1 447 52 SER HA H 4.79 . 1 448 52 SER HB2 H 4.23 . 2 449 52 SER HB3 H 3.89 . 2 450 52 SER CA C 59.70 . 1 451 52 SER CB C 63.10 . 1 452 52 SER N N 110.76 . 1 453 53 HIS H H 8.12 . 1 454 53 HIS HA H 5.20 . 1 455 53 HIS HB2 H 3.42 . 2 456 53 HIS HB3 H 3.28 . 2 457 53 HIS HD2 H 7.65 . 1 458 53 HIS HE1 H 8.57 . 1 459 53 HIS CA C 54.71 . 1 460 53 HIS CB C 29.08 . 1 461 53 HIS CD2 C 121.18 . 1 462 53 HIS CE1 C 135.74 . 1 463 53 HIS N N 119.15 . 1 464 54 PRO HA H 3.39 . 1 465 54 PRO HD2 H 3.53 . 2 466 54 PRO CA C 64.82 . 1 467 54 PRO CB C 28.61 . 1 468 55 GLU H H 9.53 . 1 469 55 GLU HA H 3.92 . 1 470 55 GLU CA C 58.17 . 1 471 55 GLU CB C 27.51 . 1 472 55 GLU N N 116.02 . 1 473 56 ASP H H 7.71 . 1 474 56 ASP HA H 4.43 . 1 475 56 ASP HB2 H 2.47 . 2 476 56 ASP HB3 H 2.17 . 2 477 56 ASP CA C 54.96 . 1 478 56 ASP CB C 41.40 . 1 479 56 ASP N N 120.09 . 1 480 57 TYR H H 7.54 . 1 481 57 TYR HA H 5.34 . 1 482 57 TYR HB2 H 3.83 . 2 483 57 TYR HB3 H 2.83 . 2 484 57 TYR HD1 H 7.50 . 3 485 57 TYR HE1 H 7.11 . 3 486 57 TYR CA C 57.67 . 1 487 57 TYR CB C 44.36 . 1 488 57 TYR CD1 C 135.25 . 1 489 57 TYR CE1 C 117.95 . 1 490 57 TYR N N 114.84 . 1 491 58 GLY H H 8.86 . 1 492 58 GLY HA2 H 4.42 . 2 493 58 GLY HA3 H 3.60 . 2 494 58 GLY CA C 44.35 . 1 495 58 GLY N N 105.42 . 1 496 59 GLY H H 7.72 . 1 497 59 GLY HA2 H 5.11 . 2 498 59 GLY HA3 H 4.29 . 2 499 59 GLY CA C 45.84 . 1 500 59 GLY N N 105.44 . 1 501 60 LEU H H 8.67 . 1 502 60 LEU HA H 5.39 . 1 503 60 LEU HB2 H 1.56 . 2 504 60 LEU HB3 H 1.18 . 2 505 60 LEU HD1 H 0.24 . 1 506 60 LEU HD2 H 0.18 . 1 507 60 LEU CA C 54.22 . 1 508 60 LEU CB C 48.80 . 1 509 60 LEU CD1 C 24.49 . 1 510 60 LEU CD2 C 23.97 . 1 511 60 LEU N N 122.27 . 1 512 61 ILE H H 8.20 . 1 513 61 ILE HA H 5.01 . 1 514 61 ILE HB H 1.54 . 1 515 61 ILE HG2 H 0.50 . 1 516 61 ILE HD1 H 0.47 . 1 517 61 ILE CA C 59.89 . 1 518 61 ILE CB C 41.71 . 1 519 61 ILE CG2 C 18.96 . 1 520 61 ILE CD1 C 15.60 . 1 521 61 ILE N N 119.77 . 1 522 62 PHE H H 8.98 . 1 523 62 PHE HA H 5.38 . 1 524 62 PHE HB2 H 2.79 . 2 525 62 PHE HD1 H 7.09 . 3 526 62 PHE HE1 H 7.05 . 3 527 62 PHE HZ H 6.79 . 1 528 62 PHE CA C 56.19 . 1 529 62 PHE CB C 43.31 . 1 530 62 PHE CE1 C 130.57 . 1 531 62 PHE CZ C 127.73 . 1 532 62 PHE N N 119.94 . 1 533 63 THR H H 10.10 . 1 534 63 THR HA H 5.03 . 1 535 63 THR HB H 4.70 . 1 536 63 THR HG2 H 1.14 . 1 537 63 THR CA C 60.88 . 1 538 63 THR CB C 69.26 . 1 539 63 THR CG2 C 22.46 . 1 540 63 THR N N 110.65 . 1 541 64 SER H H 7.45 . 1 542 64 SER HA H 5.22 . 1 543 64 SER HB2 H 4.21 . 2 544 64 SER HB3 H 3.59 . 2 545 64 SER CA C 54.47 . 1 546 64 SER CB C 66.05 . 1 547 64 SER N N 114.79 . 1 548 65 PRO HA H 4.10 . 1 549 65 PRO HG2 H 1.92 . 2 550 65 PRO HG3 H 1.82 . 2 551 65 PRO HD2 H 3.95 . 2 552 65 PRO CA C 65.00 . 1 553 65 PRO CB C 32.41 . 1 554 65 PRO CG C 27.35 . 1 555 65 PRO CD C 51.51 . 1 556 66 ARG H H 7.73 . 1 557 66 ARG HA H 3.94 . 1 558 66 ARG HB2 H 0.65 . 2 559 66 ARG HB3 H 0.49 . 2 560 66 ARG HD2 H 2.06 . 2 561 66 ARG HD3 H 1.85 . 2 562 66 ARG CA C 57.67 . 1 563 66 ARG CB C 29.57 . 1 564 66 ARG CD C 42.39 . 1 565 66 ARG N N 115.30 . 1 566 67 ALA H H 7.07 . 1 567 67 ALA HA H 4.13 . 1 568 67 ALA HB H 1.84 . 1 569 67 ALA CA C 54.71 . 1 570 67 ALA CB C 20.57 . 1 571 67 ALA N N 118.24 . 1 572 68 VAL H H 6.98 . 1 573 68 VAL HA H 3.40 . 1 574 68 VAL HB H 1.95 . 1 575 68 VAL HG1 H 0.48 . 1 576 68 VAL HG2 H 0.41 . 1 577 68 VAL CA C 64.82 . 1 578 68 VAL CB C 31.05 . 1 579 68 VAL CG1 C 22.87 . 1 580 68 VAL CG2 C 21.85 . 1 581 68 VAL N N 116.80 . 1 582 69 GLU H H 8.11 . 1 583 69 GLU HA H 3.92 . 1 584 69 GLU CA C 59.40 . 1 585 69 GLU CB C 29.61 . 1 586 69 GLU N N 120.70 . 1 587 70 ALA H H 7.92 . 1 588 70 ALA HA H 3.42 . 1 589 70 ALA HB H 1.75 . 1 590 70 ALA CA C 54.96 . 1 591 70 ALA CB C 18.48 . 1 592 70 ALA N N 119.39 . 1 593 71 ALA H H 7.56 . 1 594 71 ALA HA H 3.70 . 1 595 71 ALA HB H 1.26 . 1 596 71 ALA CA C 54.22 . 1 597 71 ALA CB C 16.74 . 1 598 71 ALA N N 121.10 . 1 599 72 GLU H H 7.89 . 1 600 72 GLU HA H 3.42 . 1 601 72 GLU HB2 H 1.94 . 2 602 72 GLU HB3 H 1.81 . 2 603 72 GLU HG2 H 2.11 . 2 604 72 GLU HG3 H 1.93 . 2 605 72 GLU CA C 59.89 . 1 606 72 GLU CB C 30.31 . 1 607 72 GLU CG C 36.47 . 1 608 72 GLU N N 117.34 . 1 609 73 LEU H H 8.19 . 1 610 73 LEU HA H 4.02 . 1 611 73 LEU HB2 H 1.41 . 2 612 73 LEU HB3 H 1.23 . 2 613 73 LEU HD1 H 0.54 . 1 614 73 LEU HD2 H 0.65 . 1 615 73 LEU CA C 57.43 . 1 616 73 LEU CB C 42.39 . 1 617 73 LEU CD1 C 24.12 . 1 618 73 LEU CD2 C 24.76 . 1 619 73 LEU N N 118.52 . 1 620 74 CYS H H 8.74 . 1 621 74 CYS HA H 4.13 . 1 622 74 CYS HB2 H 3.17 . 2 623 74 CYS HB3 H 3.13 . 2 624 74 CYS HG H 3.15 . 1 625 74 CYS CA C 60.63 . 1 626 74 CYS CB C 26.12 . 1 627 74 CYS N N 117.39 . 1 628 75 LEU H H 7.32 . 1 629 75 LEU HA H 3.82 . 1 630 75 LEU HB2 H 1.68 . 2 631 75 LEU HB3 H 0.84 . 2 632 75 LEU HD1 H -0.44 . 1 633 75 LEU HD2 H 0.45 . 1 634 75 LEU CA C 57.43 . 1 635 75 LEU CB C 41.65 . 1 636 75 LEU CD1 C 23.64 . 1 637 75 LEU CD2 C 22.07 . 1 638 75 LEU N N 124.82 . 1 639 76 GLU H H 7.40 . 1 640 76 GLU HA H 4.10 . 1 641 76 GLU HB2 H 2.09 . 2 642 76 GLU HG2 H 2.31 . 2 643 76 GLU HG3 H 2.18 . 2 644 76 GLU CA C 59.13 . 1 645 76 GLU CB C 30.06 . 1 646 76 GLU CG C 35.75 . 1 647 76 GLU N N 119.94 . 1 648 77 GLN H H 8.80 . 1 649 77 GLN HA H 4.10 . 1 650 77 GLN HG2 H 2.65 . 2 651 77 GLN HG3 H 2.39 . 2 652 77 GLN HE21 H 7.45 . 1 653 77 GLN HE22 H 6.59 . 1 654 77 GLN CA C 58.35 . 1 655 77 GLN CB C 29.11 . 1 656 77 GLN CG C 34.28 . 1 657 77 GLN N N 116.32 . 1 658 77 GLN NE2 N 108.69 . 1 659 78 ASN H H 7.09 . 1 660 78 ASN HA H 4.96 . 1 661 78 ASN HB2 H 2.89 . 2 662 78 ASN HB3 H 2.60 . 2 663 78 ASN CA C 53.21 . 1 664 78 ASN CB C 39.18 . 1 665 78 ASN N N 112.41 . 1 666 79 ASN H H 7.84 . 1 667 79 ASN HA H 4.81 . 1 668 79 ASN HB2 H 3.19 . 2 669 79 ASN HB3 H 2.82 . 2 670 79 ASN CA C 54.59 . 1 671 79 ASN CB C 36.79 . 1 672 79 ASN N N 114.68 . 1 673 80 LYS H H 8.88 . 1 674 80 LYS HA H 4.80 . 1 675 80 LYS HB2 H 2.24 . 2 676 80 LYS HG2 H 1.41 . 2 677 80 LYS HG3 H 1.33 . 2 678 80 LYS HD2 H 1.66 . 2 679 80 LYS HD3 H 1.40 . 2 680 80 LYS HE2 H 2.93 . 2 681 80 LYS HE3 H 2.90 . 2 682 80 LYS CA C 54.63 . 1 683 80 LYS CB C 35.41 . 1 684 80 LYS CG C 24.89 . 1 685 80 LYS CD C 29.08 . 1 686 80 LYS CE C 42.14 . 1 687 80 LYS N N 114.16 . 1 688 81 THR H H 7.98 . 1 689 81 THR HA H 3.84 . 1 690 81 THR HB H 4.19 . 1 691 81 THR HG2 H 1.29 . 1 692 81 THR CA C 67.53 . 1 693 81 THR CB C 68.25 . 1 694 81 THR CG2 C 22.32 . 1 695 81 THR N N 116.77 . 1 696 82 GLU H H 8.51 . 1 697 82 GLU HA H 4.25 . 1 698 82 GLU HB2 H 2.10 . 2 699 82 GLU HG2 H 2.37 . 2 700 82 GLU HG3 H 2.26 . 2 701 82 GLU CA C 60.12 . 1 702 82 GLU CB C 28.93 . 1 703 82 GLU CG C 36.64 . 1 704 82 GLU N N 121.31 . 1 705 83 VAL H H 7.87 . 1 706 83 VAL HA H 4.04 . 1 707 83 VAL HB H 2.23 . 1 708 83 VAL HG1 H 1.21 . 1 709 83 VAL HG2 H 1.22 . 1 710 83 VAL CA C 65.31 . 1 711 83 VAL CB C 31.88 . 1 712 83 VAL CG1 C 21.03 . 1 713 83 VAL CG2 C 22.36 . 1 714 83 VAL N N 118.48 . 1 715 84 TRP H H 8.92 . 1 716 84 TRP HA H 4.46 . 1 717 84 TRP HB2 H 3.73 . 2 718 84 TRP HB3 H 3.35 . 2 719 84 TRP HD1 H 7.32 . 1 720 84 TRP HE1 H 10.38 . 1 721 84 TRP HE3 H 7.35 . 1 722 84 TRP HZ2 H 7.15 . 1 723 84 TRP HZ3 H 6.98 . 1 724 84 TRP HH2 H 6.53 . 1 725 84 TRP CA C 61.79 . 1 726 84 TRP CB C 29.32 . 1 727 84 TRP CD1 C 127.06 . 1 728 84 TRP CZ2 C 113.76 . 1 729 84 TRP CH2 C 123.36 . 1 730 84 TRP N N 125.05 . 1 731 84 TRP NE1 N 129.36 . 1 732 85 GLU H H 8.04 . 1 733 85 GLU HA H 3.92 . 1 734 85 GLU HB2 H 2.28 . 2 735 85 GLU HB3 H 2.20 . 2 736 85 GLU HG2 H 2.53 . 2 737 85 GLU HG3 H 2.47 . 2 738 85 GLU CA C 59.34 . 1 739 85 GLU CB C 29.82 . 1 740 85 GLU CG C 36.03 . 1 741 85 GLU N N 115.86 . 1 742 86 ARG H H 8.50 . 1 743 86 ARG HA H 4.23 . 1 744 86 ARG HB2 H 1.89 . 2 745 86 ARG HG2 H 1.79 . 2 746 86 ARG HG3 H 1.76 . 2 747 86 ARG HD2 H 3.21 . 2 748 86 ARG CA C 58.17 . 1 749 86 ARG CB C 31.44 . 1 750 86 ARG CG C 27.45 . 1 751 86 ARG CD C 43.29 . 1 752 86 ARG N N 115.13 . 1 753 87 SER H H 8.12 . 1 754 87 SER HA H 4.77 . 1 755 87 SER HB2 H 3.81 . 2 756 87 SER HB3 H 3.71 . 2 757 87 SER CA C 59.65 . 1 758 87 SER CB C 65.56 . 1 759 87 SER N N 111.10 . 1 760 88 LEU H H 8.29 . 1 761 88 LEU HA H 3.96 . 1 762 88 LEU HB2 H 2.11 . 2 763 88 LEU HB3 H 1.68 . 2 764 88 LEU HD1 H 1.28 . 1 765 88 LEU HD2 H 0.99 . 1 766 88 LEU CA C 58.41 . 1 767 88 LEU CB C 43.38 . 1 768 88 LEU CD1 C 25.81 . 1 769 88 LEU CD2 C 22.24 . 1 770 88 LEU N N 118.70 . 1 771 89 LYS H H 8.69 . 1 772 89 LYS HA H 2.73 . 1 773 89 LYS HB2 H 0.88 . 2 774 89 LYS HB3 H 0.59 . 2 775 89 LYS HG2 H 1.14 . 2 776 89 LYS HD2 H 1.75 . 2 777 89 LYS HE2 H 3.14 . 2 778 89 LYS HE3 H 2.87 . 2 779 89 LYS CA C 59.98 . 1 780 89 LYS CB C 30.80 . 1 781 89 LYS CG C 23.49 . 1 782 89 LYS CD C 30.11 . 1 783 89 LYS CE C 41.40 . 1 784 89 LYS N N 121.19 . 1 785 90 GLU H H 7.95 . 1 786 90 GLU HA H 4.02 . 1 787 90 GLU HB2 H 1.94 . 2 788 90 GLU HG2 H 2.22 . 2 789 90 GLU CA C 58.71 . 1 790 90 GLU CB C 29.56 . 1 791 90 GLU CG C 36.22 . 1 792 90 GLU N N 116.58 . 1 793 91 LYS H H 7.14 . 1 794 91 LYS HA H 4.01 . 1 795 91 LYS HG2 H 1.65 . 2 796 91 LYS HG3 H 1.37 . 2 797 91 LYS HD2 H 1.45 . 2 798 91 LYS HE2 H 2.89 . 2 799 91 LYS CA C 59.17 . 1 800 91 LYS CB C 33.01 . 1 801 91 LYS CG C 25.73 . 1 802 91 LYS CD C 29.39 . 1 803 91 LYS CE C 42.08 . 1 804 91 LYS N N 118.24 . 1 805 92 TRP H H 8.20 . 1 806 92 TRP HA H 4.25 . 1 807 92 TRP HB2 H 3.16 . 2 808 92 TRP HB3 H 2.97 . 2 809 92 TRP HD1 H 6.99 . 1 810 92 TRP HE1 H 11.44 . 1 811 92 TRP HE3 H 7.74 . 1 812 92 TRP HZ2 H 7.78 . 1 813 92 TRP HZ3 H 6.88 . 1 814 92 TRP HH2 H 7.05 . 1 815 92 TRP CA C 61.12 . 1 816 92 TRP CB C 29.82 . 1 817 92 TRP CE3 C 120.69 . 1 818 92 TRP CZ2 C 113.41 . 1 819 92 TRP CZ3 C 121.66 . 1 820 92 TRP CH2 C 126.03 . 1 821 92 TRP N N 119.83 . 1 822 92 TRP NE1 N 128.00 . 1 823 93 ASN H H 8.47 . 1 824 93 ASN HA H 4.82 . 1 825 93 ASN HB2 H 2.83 . 2 826 93 ASN HD21 H 7.38 . 1 827 93 ASN HD22 H 7.18 . 1 828 93 ASN CA C 54.71 . 1 829 93 ASN CB C 38.67 . 1 830 93 ASN N N 115.64 . 1 831 93 ASN ND2 N 111.12 . 1 832 94 ALA H H 7.05 . 1 833 94 ALA HA H 4.46 . 1 834 94 ALA HB H 1.49 . 1 835 94 ALA CA C 52.25 . 1 836 94 ALA CB C 18.76 . 1 837 94 ALA N N 118.86 . 1 838 95 LYS H H 7.72 . 1 839 95 LYS HA H 4.69 . 1 840 95 LYS HB2 H 2.21 . 2 841 95 LYS HG2 H 1.44 . 2 842 95 LYS HD2 H 1.47 . 2 843 95 LYS HE2 H 2.68 . 2 844 95 LYS HE3 H 2.60 . 2 845 95 LYS CA C 54.22 . 1 846 95 LYS CB C 34.01 . 1 847 95 LYS CG C 25.38 . 1 848 95 LYS CD C 29.13 . 1 849 95 LYS CE C 42.64 . 1 850 95 LYS N N 120.74 . 1 851 96 SER H H 7.53 . 1 852 96 SER HA H 4.40 . 1 853 96 SER HB2 H 3.63 . 2 854 96 SER HB3 H 3.22 . 2 855 96 SER CA C 59.40 . 1 856 96 SER CB C 64.82 . 1 857 96 SER N N 114.50 . 1 858 97 VAL H H 8.25 . 1 859 97 VAL HA H 4.67 . 1 860 97 VAL HB H 2.33 . 1 861 97 VAL HG1 H 0.89 . 1 862 97 VAL HG2 H 1.09 . 1 863 97 VAL CA C 61.62 . 1 864 97 VAL CB C 32.78 . 1 865 97 VAL CG1 C 21.51 . 1 866 97 VAL CG2 C 21.53 . 1 867 97 VAL N N 125.77 . 1 868 98 TYR H H 9.07 . 1 869 98 TYR HA H 5.17 . 1 870 98 TYR HB2 H 3.08 . 2 871 98 TYR HB3 H 2.89 . 2 872 98 TYR HD1 H 7.09 . 3 873 98 TYR HE1 H 6.80 . 3 874 98 TYR CA C 56.93 . 1 875 98 TYR CB C 41.16 . 1 876 98 TYR CD1 C 132.82 . 1 877 98 TYR CE1 C 118.20 . 1 878 98 TYR N N 126.86 . 1 879 99 VAL H H 8.84 . 1 880 99 VAL HA H 5.60 . 1 881 99 VAL HB H 2.01 . 1 882 99 VAL HG1 H 0.92 . 1 883 99 VAL HG2 H 1.00 . 1 884 99 VAL CA C 59.89 . 1 885 99 VAL CB C 36.71 . 1 886 99 VAL CG1 C 22.84 . 1 887 99 VAL CG2 C 22.43 . 1 888 99 VAL N N 118.36 . 1 889 100 VAL H H 7.92 . 1 890 100 VAL HA H 4.61 . 1 891 100 VAL HB H 1.88 . 1 892 100 VAL HG1 H 0.88 . 1 893 100 VAL HG2 H 0.83 . 1 894 100 VAL CA C 61.30 . 1 895 100 VAL CB C 34.75 . 1 896 100 VAL CG1 C 21.09 . 1 897 100 VAL CG2 C 23.19 . 1 898 100 VAL N N 122.21 . 1 899 101 GLY H H 8.27 . 1 900 101 GLY HA2 H 4.61 . 2 901 101 GLY HA3 H 3.84 . 2 902 101 GLY CA C 44.61 . 1 903 101 GLY N N 114.18 . 1 904 102 ASN HA H 4.42 . 1 905 102 ASN HB2 H 2.83 . 2 906 102 ASN CA C 56.69 . 1 907 102 ASN CB C 38.45 . 1 908 103 ALA HA H 4.24 . 1 909 103 ALA HB H 1.50 . 1 910 103 ALA CA C 55.01 . 1 911 103 ALA CB C 17.49 . 1 912 104 THR H H 7.56 . 1 913 104 THR HA H 3.35 . 1 914 104 THR HB H 4.05 . 1 915 104 THR HG1 H 4.97 . 1 916 104 THR HG2 H 0.88 . 1 917 104 THR CA C 66.05 . 1 918 104 THR CB C 67.29 . 1 919 104 THR CG2 C 24.38 . 1 920 104 THR N N 115.07 . 1 921 105 ALA H H 8.09 . 1 922 105 ALA HA H 3.78 . 1 923 105 ALA HB H 1.47 . 1 924 105 ALA CA C 55.81 . 1 925 105 ALA CB C 18.23 . 1 926 105 ALA N N 121.88 . 1 927 106 SER H H 7.90 . 1 928 106 SER HA H 4.24 . 1 929 106 SER HB2 H 3.98 . 2 930 106 SER CA C 61.62 . 1 931 106 SER CB C 62.85 . 1 932 106 SER N N 112.85 . 1 933 107 LEU H H 7.41 . 1 934 107 LEU HA H 4.19 . 1 935 107 LEU HB2 H 1.72 . 2 936 107 LEU HB3 H 1.39 . 2 937 107 LEU HD1 H 0.91 . 1 938 107 LEU HD2 H 0.81 . 1 939 107 LEU CA C 56.91 . 1 940 107 LEU CB C 41.90 . 1 941 107 LEU CD1 C 26.35 . 1 942 107 LEU CD2 C 22.89 . 1 943 107 LEU N N 121.25 . 1 944 108 VAL H H 8.12 . 1 945 108 VAL HA H 3.31 . 1 946 108 VAL HB H 2.02 . 1 947 108 VAL HG1 H 0.82 . 1 948 108 VAL HG2 H 0.65 . 1 949 108 VAL CA C 66.30 . 1 950 108 VAL CB C 31.58 . 1 951 108 VAL CG1 C 23.62 . 1 952 108 VAL CG2 C 24.77 . 1 953 108 VAL N N 120.68 . 1 954 109 SER H H 7.83 . 1 955 109 SER HA H 4.49 . 1 956 109 SER HB2 H 3.99 . 2 957 109 SER CA C 61.16 . 1 958 109 SER CB C 62.81 . 1 959 109 SER N N 113.26 . 1 960 110 LYS H H 7.68 . 1 961 110 LYS HA H 4.08 . 1 962 110 LYS HB2 H 2.01 . 2 963 110 LYS HG2 H 1.60 . 2 964 110 LYS HG3 H 1.41 . 2 965 110 LYS HE2 H 2.95 . 2 966 110 LYS CA C 59.23 . 1 967 110 LYS CB C 32.53 . 1 968 110 LYS CG C 25.13 . 1 969 110 LYS CE C 41.87 . 1 970 110 LYS N N 122.92 . 1 971 111 ILE H H 7.36 . 1 972 111 ILE HA H 4.61 . 1 973 111 ILE HB H 2.04 . 1 974 111 ILE HG2 H 0.72 . 1 975 111 ILE HD1 H 0.47 . 1 976 111 ILE CA C 61.93 . 1 977 111 ILE CB C 38.06 . 1 978 111 ILE CG2 C 16.71 . 1 979 111 ILE CD1 C 13.57 . 1 980 111 ILE N N 111.24 . 1 981 112 GLY H H 7.68 . 1 982 112 GLY HA2 H 4.23 . 2 983 112 GLY HA3 H 3.77 . 2 984 112 GLY CA C 45.84 . 1 985 112 GLY N N 106.91 . 1 986 113 LEU H H 7.28 . 1 987 113 LEU HA H 4.95 . 1 988 113 LEU HB2 H 1.73 . 2 989 113 LEU HB3 H 1.33 . 2 990 113 LEU HD1 H 0.98 . 1 991 113 LEU HD2 H 0.91 . 1 992 113 LEU CA C 52.99 . 1 993 113 LEU CB C 42.39 . 1 994 113 LEU CD1 C 26.36 . 1 995 113 LEU CD2 C 23.45 . 1 996 113 LEU N N 118.66 . 1 997 114 ASP H H 8.79 . 1 998 114 ASP HA H 4.71 . 1 999 114 ASP HB2 H 2.70 . 2 1000 114 ASP HB3 H 2.62 . 2 1001 114 ASP CA C 54.22 . 1 1002 114 ASP CB C 41.94 . 1 1003 114 ASP N N 122.31 . 1 1004 115 THR H H 8.10 . 1 1005 115 THR HA H 4.65 . 1 1006 115 THR HB H 4.21 . 1 1007 115 THR HG2 H 1.10 . 1 1008 115 THR CA C 61.14 . 1 1009 115 THR CB C 70.78 . 1 1010 115 THR CG2 C 21.94 . 1 1011 115 THR N N 113.14 . 1 1012 116 GLU H H 8.74 . 1 1013 116 GLU HA H 4.54 . 1 1014 116 GLU HB2 H 2.12 . 2 1015 116 GLU HB3 H 1.97 . 2 1016 116 GLU HG2 H 2.25 . 2 1017 116 GLU CA C 55.95 . 1 1018 116 GLU CB C 31.05 . 1 1019 116 GLU CG C 36.43 . 1 1020 116 GLU N N 123.01 . 1 1021 117 GLY H H 8.29 . 1 1022 117 GLY HA2 H 4.22 . 2 1023 117 GLY HA3 H 3.59 . 2 1024 117 GLY CA C 44.88 . 1 1025 117 GLY N N 109.07 . 1 1026 118 GLU H H 8.25 . 1 1027 118 GLU HA H 4.18 . 1 1028 118 GLU HB2 H 1.86 . 2 1029 118 GLU HG2 H 2.12 . 2 1030 118 GLU HG3 H 2.05 . 2 1031 118 GLU CA C 56.93 . 1 1032 118 GLU CB C 29.96 . 1 1033 118 GLU CG C 35.68 . 1 1034 118 GLU N N 119.26 . 1 1035 119 THR H H 8.62 . 1 1036 119 THR HA H 4.15 . 1 1037 119 THR HB H 4.11 . 1 1038 119 THR HG2 H 1.11 . 1 1039 119 THR CA C 63.64 . 1 1040 119 THR CB C 69.12 . 1 1041 119 THR CG2 C 22.67 . 1 1042 119 THR N N 117.79 . 1 1043 120 CYS H H 8.29 . 1 1044 120 CYS HA H 4.51 . 1 1045 120 CYS HB2 H 2.81 . 2 1046 120 CYS CA C 59.19 . 1 1047 120 CYS CB C 29.82 . 1 1048 120 CYS N N 119.91 . 1 1049 121 GLY HA2 H 4.17 . 2 1050 121 GLY HA3 H 3.92 . 2 1051 121 GLY CA C 46.33 . 1 1052 122 ASN H H 7.43 . 1 1053 122 ASN HA H 4.74 . 1 1054 122 ASN HB2 H 3.17 . 2 1055 122 ASN CA C 52.15 . 1 1056 122 ASN CB C 40.23 . 1 1057 122 ASN N N 112.25 . 1 1058 123 ALA HA H 3.97 . 1 1059 123 ALA HB H 1.52 . 1 1060 123 ALA CA C 55.45 . 1 1061 123 ALA CB C 18.83 . 1 1062 124 GLU H H 8.95 . 1 1063 124 GLU HA H 3.85 . 1 1064 124 GLU HB2 H 2.12 . 2 1065 124 GLU HB3 H 2.03 . 2 1066 124 GLU HG2 H 2.33 . 2 1067 124 GLU HG3 H 2.25 . 2 1068 124 GLU CA C 60.63 . 1 1069 124 GLU CB C 28.82 . 1 1070 124 GLU CG C 37.36 . 1 1071 124 GLU N N 119.83 . 1 1072 125 LYS H H 8.43 . 1 1073 125 LYS HA H 4.21 . 1 1074 125 LYS CA C 57.61 . 1 1075 125 LYS CB C 32.11 . 1 1076 125 LYS N N 119.28 . 1 1077 126 LEU H H 8.03 . 1 1078 126 LEU HA H 4.51 . 1 1079 126 LEU HB2 H 1.89 . 2 1080 126 LEU HD1 H 1.06 . 1 1081 126 LEU HD2 H 0.71 . 1 1082 126 LEU CA C 57.92 . 1 1083 126 LEU CB C 41.21 . 1 1084 126 LEU CD1 C 23.44 . 1 1085 126 LEU CD2 C 26.32 . 1 1086 126 LEU N N 121.42 . 1 1087 127 ALA H H 8.43 . 1 1088 127 ALA HA H 3.70 . 1 1089 127 ALA HB H 1.33 . 1 1090 127 ALA CA C 55.70 . 1 1091 127 ALA CB C 17.75 . 1 1092 127 ALA N N 120.79 . 1 1093 128 GLU H H 7.38 . 1 1094 128 GLU HA H 3.95 . 1 1095 128 GLU HB2 H 2.17 . 2 1096 128 GLU HG2 H 2.45 . 2 1097 128 GLU CA C 59.17 . 1 1098 128 GLU CB C 29.79 . 1 1099 128 GLU CG C 36.12 . 1 1100 128 GLU N N 121.87 . 1 1101 129 TYR H H 8.10 . 1 1102 129 TYR HA H 4.25 . 1 1103 129 TYR HB2 H 3.30 . 2 1104 129 TYR HB3 H 3.24 . 2 1105 129 TYR HD1 H 7.08 . 3 1106 129 TYR HE1 H 6.98 . 3 1107 129 TYR CA C 61.12 . 1 1108 129 TYR CB C 39.18 . 1 1109 129 TYR CD1 C 132.87 . 1 1110 129 TYR CE1 C 118.23 . 1 1111 129 TYR N N 121.78 . 1 1112 130 ILE H H 8.94 . 1 1113 130 ILE HA H 3.16 . 1 1114 130 ILE HB H 1.55 . 1 1115 130 ILE HG2 H 0.61 . 1 1116 130 ILE HD1 H 0.25 . 1 1117 130 ILE CA C 66.05 . 1 1118 130 ILE CB C 38.20 . 1 1119 130 ILE CG2 C 17.37 . 1 1120 130 ILE CD1 C 14.59 . 1 1121 130 ILE N N 120.28 . 1 1122 131 CYS H H 8.00 . 1 1123 131 CYS HA H 4.11 . 1 1124 131 CYS HB2 H 2.98 . 2 1125 131 CYS HB3 H 2.87 . 2 1126 131 CYS CA C 62.66 . 1 1127 131 CYS CB C 26.80 . 1 1128 131 CYS N N 114.96 . 1 1129 132 SER H H 7.58 . 1 1130 132 SER HA H 4.43 . 1 1131 132 SER HB2 H 4.02 . 2 1132 132 SER HB3 H 3.97 . 2 1133 132 SER CA C 59.55 . 1 1134 132 SER CB C 64.08 . 1 1135 132 SER N N 113.51 . 1 1136 133 ARG H H 7.37 . 1 1137 133 ARG HA H 4.51 . 1 1138 133 ARG HB2 H 1.87 . 2 1139 133 ARG HB3 H 1.73 . 2 1140 133 ARG HG2 H 1.49 . 2 1141 133 ARG HD2 H 2.88 . 2 1142 133 ARG HD3 H 2.81 . 2 1143 133 ARG CA C 55.70 . 1 1144 133 ARG CB C 32.53 . 1 1145 133 ARG CG C 26.30 . 1 1146 133 ARG CD C 43.13 . 1 1147 133 ARG N N 120.49 . 1 1148 134 GLU H H 8.33 . 1 1149 134 GLU HA H 4.30 . 1 1150 134 GLU HB2 H 2.12 . 2 1151 134 GLU HB3 H 2.03 . 2 1152 134 GLU HG2 H 2.44 . 2 1153 134 GLU HG3 H 2.33 . 2 1154 134 GLU CA C 57.18 . 1 1155 134 GLU CB C 29.91 . 1 1156 134 GLU CG C 36.45 . 1 1157 134 GLU N N 120.40 . 1 1158 135 SER H H 8.58 . 1 1159 135 SER HA H 4.58 . 1 1160 135 SER HB2 H 3.98 . 2 1161 135 SER HB3 H 3.87 . 2 1162 135 SER CA C 58.16 . 1 1163 135 SER CB C 64.44 . 1 1164 135 SER N N 119.05 . 1 1165 136 SER H H 8.91 . 1 1166 136 SER HA H 4.51 . 1 1167 136 SER HB2 H 4.10 . 2 1168 136 SER HB3 H 3.98 . 2 1169 136 SER CA C 58.17 . 1 1170 136 SER CB C 64.06 . 1 1171 136 SER N N 118.73 . 1 1172 137 ALA H H 8.53 . 1 1173 137 ALA HA H 4.39 . 1 1174 137 ALA HB H 1.47 . 1 1175 137 ALA CA C 52.87 . 1 1176 137 ALA CB C 19.34 . 1 1177 137 ALA N N 125.52 . 1 1178 138 LEU H H 8.03 . 1 1179 138 LEU HA H 4.55 . 1 1180 138 LEU HD1 H 0.71 . 1 1181 138 LEU HD2 H 0.78 . 1 1182 138 LEU CA C 52.50 . 1 1183 138 LEU CB C 41.81 . 1 1184 138 LEU CD1 C 25.75 . 1 1185 138 LEU CD2 C 22.35 . 1 1186 138 LEU N N 119.60 . 1 1187 139 PRO HA H 4.18 . 1 1188 139 PRO HB2 H 2.10 . 2 1189 139 PRO HB3 H 1.91 . 2 1190 139 PRO HD2 H 3.89 . 2 1191 139 PRO HD3 H 3.69 . 2 1192 139 PRO CA C 62.60 . 1 1193 139 PRO CB C 31.79 . 1 1194 139 PRO CD C 50.28 . 1 1195 140 LEU H H 8.20 . 1 1196 140 LEU HA H 4.62 . 1 1197 140 LEU HB2 H 1.77 . 2 1198 140 LEU HD1 H 0.90 . 1 1199 140 LEU HD2 H 0.85 . 1 1200 140 LEU CA C 54.71 . 1 1201 140 LEU CB C 42.88 . 1 1202 140 LEU CD1 C 26.81 . 1 1203 140 LEU CD2 C 22.02 . 1 1204 140 LEU N N 123.23 . 1 1205 141 LEU H H 8.82 . 1 1206 141 LEU HA H 4.95 . 1 1207 141 LEU HD1 H 0.71 . 1 1208 141 LEU HD2 H 0.46 . 1 1209 141 LEU CA C 54.71 . 1 1210 141 LEU CB C 41.71 . 1 1211 141 LEU CD1 C 22.31 . 1 1212 141 LEU CD2 C 26.25 . 1 1213 141 LEU N N 126.18 . 1 1214 142 PHE H H 9.03 . 1 1215 142 PHE HA H 5.79 . 1 1216 142 PHE HB2 H 3.10 . 2 1217 142 PHE HB3 H 2.63 . 2 1218 142 PHE HD1 H 7.21 . 3 1219 142 PHE HE1 H 7.20 . 3 1220 142 PHE HZ H 7.30 . 1 1221 142 PHE CA C 51.51 . 1 1222 142 PHE CB C 41.16 . 1 1223 142 PHE CD1 C 131.13 . 1 1224 142 PHE N N 126.41 . 1 1225 143 PRO HA H 5.02 . 1 1226 143 PRO HB2 H 1.15 . 2 1227 143 PRO HD2 H 4.50 . 2 1228 143 PRO HD3 H 3.11 . 2 1229 143 PRO CA C 60.38 . 1 1230 143 PRO CB C 32.04 . 1 1231 143 PRO CD C 50.28 . 1 1232 144 CYS H H 8.91 . 1 1233 144 CYS HA H 4.69 . 1 1234 144 CYS HB2 H 2.38 . 2 1235 144 CYS CA C 55.95 . 1 1236 144 CYS CB C 31.61 . 1 1237 144 CYS N N 122.10 . 1 1238 145 GLY H H 7.66 . 1 1239 145 GLY HA2 H 3.99 . 2 1240 145 GLY HA3 H 2.82 . 2 1241 145 GLY CA C 43.38 . 1 1242 145 GLY N N 106.88 . 1 1243 146 ASN HA H 4.36 . 1 1244 146 ASN HB2 H 2.94 . 2 1245 146 ASN HB3 H 2.73 . 2 1246 146 ASN CA C 54.46 . 1 1247 146 ASN CB C 38.94 . 1 1248 147 LEU H H 8.74 . 1 1249 147 LEU HA H 3.90 . 1 1250 147 LEU HB2 H 1.70 . 2 1251 147 LEU HB3 H 1.59 . 2 1252 147 LEU HD1 H 0.94 . 1 1253 147 LEU HD2 H 0.89 . 1 1254 147 LEU CA C 57.75 . 1 1255 147 LEU CB C 42.08 . 1 1256 147 LEU CD1 C 24.98 . 1 1257 147 LEU CD2 C 24.17 . 1 1258 147 LEU N N 128.33 . 1 1259 148 LYS H H 8.35 . 1 1260 148 LYS HA H 4.20 . 1 1261 148 LYS HB2 H 1.87 . 2 1262 148 LYS HE2 H 3.00 . 2 1263 148 LYS CA C 57.92 . 1 1264 148 LYS CB C 32.23 . 1 1265 148 LYS CE C 42.00 . 1 1266 148 LYS N N 117.34 . 1 1267 149 ARG H H 7.74 . 1 1268 149 ARG HA H 4.50 . 1 1269 149 ARG HB2 H 2.15 . 2 1270 149 ARG HB3 H 1.86 . 2 1271 149 ARG HG2 H 1.66 . 2 1272 149 ARG HG3 H 1.58 . 2 1273 149 ARG HD2 H 3.28 . 2 1274 149 ARG CA C 55.21 . 1 1275 149 ARG CB C 30.87 . 1 1276 149 ARG CG C 27.60 . 1 1277 149 ARG CD C 43.13 . 1 1278 149 ARG N N 115.52 . 1 1279 150 GLU H H 7.43 . 1 1280 150 GLU HA H 4.29 . 1 1281 150 GLU CA C 55.43 . 1 1282 150 GLU CB C 30.61 . 1 1283 150 GLU N N 118.58 . 1 1284 151 ILE HA H 4.45 . 1 1285 151 ILE HB H 2.00 . 1 1286 151 ILE HG12 H 1.41 . 2 1287 151 ILE HG13 H 1.34 . 2 1288 151 ILE HG2 H 0.95 . 1 1289 151 ILE HD1 H 0.88 . 1 1290 151 ILE CA C 61.61 . 1 1291 151 ILE CB C 39.65 . 1 1292 151 ILE CG1 C 27.38 . 1 1293 151 ILE CG2 C 18.68 . 1 1294 151 ILE CD1 C 13.91 . 1 1295 152 LEU H H 8.59 . 1 1296 152 LEU HA H 4.04 . 1 1297 152 LEU HB2 H 1.54 . 2 1298 152 LEU HB3 H 1.28 . 2 1299 152 LEU HD1 H 0.63 . 1 1300 152 LEU HD2 H 0.33 . 1 1301 152 LEU CA C 59.13 . 1 1302 152 LEU CB C 40.17 . 1 1303 152 LEU CD1 C 25.31 . 1 1304 152 LEU CD2 C 25.38 . 1 1305 152 LEU N N 122.78 . 1 1306 153 PRO HA H 4.22 . 1 1307 153 PRO HD2 H 3.59 . 2 1308 153 PRO HD3 H 3.53 . 2 1309 153 PRO CA C 66.79 . 1 1310 153 PRO CB C 30.71 . 1 1311 153 PRO CD C 50.52 . 1 1312 154 LYS H H 7.78 . 1 1313 154 LYS HA H 4.01 . 1 1314 154 LYS HB2 H 1.90 . 2 1315 154 LYS CA C 58.98 . 1 1316 154 LYS CB C 32.51 . 1 1317 154 LYS N N 117.57 . 1 1318 155 ALA H H 7.56 . 1 1319 155 ALA HA H 4.13 . 1 1320 155 ALA HB H 1.36 . 1 1321 155 ALA CA C 54.71 . 1 1322 155 ALA CB C 18.37 . 1 1323 155 ALA N N 120.17 . 1 1324 156 LEU H H 8.11 . 1 1325 156 LEU HA H 4.04 . 1 1326 156 LEU HB2 H 1.70 . 2 1327 156 LEU HD1 H 0.64 . 1 1328 156 LEU HD2 H 0.65 . 1 1329 156 LEU CA C 57.38 . 1 1330 156 LEU CB C 39.88 . 1 1331 156 LEU CD1 C 25.61 . 1 1332 156 LEU CD2 C 23.69 . 1 1333 156 LEU N N 114.96 . 1 1334 157 LYS H H 8.07 . 1 1335 157 LYS HA H 4.10 . 1 1336 157 LYS HB2 H 2.01 . 2 1337 157 LYS HE2 H 3.01 . 2 1338 157 LYS CA C 59.64 . 1 1339 157 LYS CB C 32.04 . 1 1340 157 LYS CE C 42.06 . 1 1341 157 LYS N N 122.10 . 1 1342 158 ASP H H 8.48 . 1 1343 158 ASP HA H 4.43 . 1 1344 158 ASP HB2 H 2.81 . 2 1345 158 ASP HB3 H 2.67 . 2 1346 158 ASP CA C 56.78 . 1 1347 158 ASP CB C 40.25 . 1 1348 158 ASP N N 119.80 . 1 1349 159 LYS H H 7.20 . 1 1350 159 LYS HA H 4.45 . 1 1351 159 LYS HB2 H 2.20 . 2 1352 159 LYS HB3 H 1.81 . 2 1353 159 LYS HG2 H 1.55 . 2 1354 159 LYS HD2 H 1.72 . 2 1355 159 LYS HD3 H 1.68 . 2 1356 159 LYS HE2 H 3.01 . 2 1357 159 LYS CA C 54.75 . 1 1358 159 LYS CB C 33.27 . 1 1359 159 LYS CG C 25.18 . 1 1360 159 LYS CD C 28.34 . 1 1361 159 LYS CE C 42.25 . 1 1362 159 LYS N N 116.54 . 1 1363 160 GLY H H 7.99 . 1 1364 160 GLY HA2 H 4.09 . 2 1365 160 GLY HA3 H 3.82 . 2 1366 160 GLY CA C 46.04 . 1 1367 160 GLY N N 108.31 . 1 1368 161 ILE H H 7.85 . 1 1369 161 ILE HA H 4.14 . 1 1370 161 ILE HB H 1.75 . 1 1371 161 ILE HG2 H 0.79 . 1 1372 161 ILE HD1 H 0.79 . 1 1373 161 ILE CA C 58.94 . 1 1374 161 ILE CB C 37.46 . 1 1375 161 ILE CG2 C 17.25 . 1 1376 161 ILE CD1 C 11.95 . 1 1377 161 ILE N N 122.16 . 1 1378 162 ALA H H 8.58 . 1 1379 162 ALA HA H 4.30 . 1 1380 162 ALA HB H 1.34 . 1 1381 162 ALA CA C 52.56 . 1 1382 162 ALA CB C 18.78 . 1 1383 162 ALA N N 130.71 . 1 1384 163 MET H H 8.37 . 1 1385 163 MET HA H 5.31 . 1 1386 163 MET HB2 H 2.04 . 2 1387 163 MET HB3 H 1.96 . 2 1388 163 MET HG2 H 2.38 . 2 1389 163 MET HG3 H 2.30 . 2 1390 163 MET HE H 1.80 . 1 1391 163 MET CA C 54.96 . 1 1392 163 MET CB C 36.23 . 1 1393 163 MET CG C 30.60 . 1 1394 163 MET CE C 17.74 . 1 1395 163 MET N N 120.63 . 1 1396 164 GLU H H 9.38 . 1 1397 164 GLU HA H 4.78 . 1 1398 164 GLU HB2 H 2.16 . 2 1399 164 GLU HB3 H 2.04 . 2 1400 164 GLU HG2 H 2.41 . 2 1401 164 GLU CA C 55.32 . 1 1402 164 GLU CB C 32.28 . 1 1403 164 GLU CG C 36.29 . 1 1404 164 GLU N N 126.54 . 1 1405 165 SER H H 8.68 . 1 1406 165 SER HA H 5.37 . 1 1407 165 SER HB2 H 3.95 . 2 1408 165 SER HB3 H 3.87 . 2 1409 165 SER CA C 57.43 . 1 1410 165 SER CB C 65.07 . 1 1411 165 SER N N 122.57 . 1 1412 166 ILE H H 8.21 . 1 1413 166 ILE HA H 4.40 . 1 1414 166 ILE HB H 1.67 . 1 1415 166 ILE HG2 H 0.52 . 1 1416 166 ILE HD1 H 0.72 . 1 1417 166 ILE CA C 58.91 . 1 1418 166 ILE CB C 40.42 . 1 1419 166 ILE CG2 C 14.29 . 1 1420 166 ILE CD1 C 13.56 . 1 1421 166 ILE N N 121.88 . 1 1422 167 THR H H 8.51 . 1 1423 167 THR HA H 4.28 . 1 1424 167 THR HB H 3.74 . 1 1425 167 THR HG2 H 1.02 . 1 1426 167 THR CA C 63.34 . 1 1427 167 THR CB C 69.26 . 1 1428 167 THR CG2 C 21.78 . 1 1429 167 THR N N 127.67 . 1 1430 168 VAL H H 8.93 . 1 1431 168 VAL HA H 5.29 . 1 1432 168 VAL HB H 2.66 . 1 1433 168 VAL HG1 H 0.39 . 1 1434 168 VAL HG2 H 0.78 . 1 1435 168 VAL CA C 59.65 . 1 1436 168 VAL CB C 33.27 . 1 1437 168 VAL CG1 C 20.83 . 1 1438 168 VAL CG2 C 19.04 . 1 1439 168 VAL N N 118.58 . 1 1440 169 TYR H H 7.43 . 1 1441 169 TYR HA H 5.60 . 1 1442 169 TYR HB2 H 2.99 . 2 1443 169 TYR HB3 H 2.64 . 2 1444 169 TYR HD1 H 6.64 . 3 1445 169 TYR HE1 H 6.55 . 3 1446 169 TYR CA C 56.44 . 1 1447 169 TYR CB C 40.91 . 1 1448 169 TYR CD1 C 132.98 . 1 1449 169 TYR CE1 C 117.65 . 1 1450 169 TYR N N 115.75 . 1 1451 170 GLN H H 8.74 . 1 1452 170 GLN HA H 4.89 . 1 1453 170 GLN HB2 H 2.02 . 2 1454 170 GLN HG2 H 2.22 . 2 1455 170 GLN HG3 H 2.14 . 2 1456 170 GLN HE21 H 7.63 . 1 1457 170 GLN HE22 H 6.69 . 1 1458 170 GLN CA C 53.74 . 1 1459 170 GLN CB C 31.61 . 1 1460 170 GLN CG C 32.28 . 1 1461 170 GLN N N 113.48 . 1 1462 170 GLN NE2 N 111.35 . 1 1463 171 THR H H 8.54 . 1 1464 171 THR HA H 4.83 . 1 1465 171 THR HB H 4.16 . 1 1466 171 THR HG2 H 1.29 . 1 1467 171 THR CA C 62.11 . 1 1468 171 THR CB C 70.00 . 1 1469 171 THR CG2 C 23.18 . 1 1470 171 THR N N 118.24 . 1 1471 172 VAL H H 8.34 . 1 1472 172 VAL HA H 4.46 . 1 1473 172 VAL HB H 2.08 . 1 1474 172 VAL HG1 H 0.73 . 1 1475 172 VAL HG2 H 0.44 . 1 1476 172 VAL CA C 58.66 . 1 1477 172 VAL CB C 36.21 . 1 1478 172 VAL CG1 C 22.12 . 1 1479 172 VAL CG2 C 18.13 . 1 1480 172 VAL N N 119.15 . 1 1481 173 ALA H H 7.70 . 1 1482 173 ALA HA H 3.73 . 1 1483 173 ALA HB H 0.70 . 1 1484 173 ALA CA C 52.25 . 1 1485 173 ALA CB C 18.16 . 1 1486 173 ALA N N 121.99 . 1 1487 174 HIS H H 7.98 . 1 1488 174 HIS HA H 4.10 . 1 1489 174 HIS HB2 H 2.44 . 2 1490 174 HIS HD2 H 7.18 . 1 1491 174 HIS HE1 H 7.82 . 1 1492 174 HIS CA C 56.19 . 1 1493 174 HIS CB C 30.41 . 1 1494 174 HIS CD2 C 118.51 . 1 1495 174 HIS CE1 C 139.86 . 1 1496 174 HIS N N 124.14 . 1 1497 175 PRO HA H 4.31 . 1 1498 175 PRO HB2 H 2.23 . 2 1499 175 PRO HG2 H 1.83 . 2 1500 175 PRO HG3 H 1.67 . 2 1501 175 PRO HD2 H 3.48 . 2 1502 175 PRO HD3 H 2.44 . 2 1503 175 PRO CA C 64.58 . 1 1504 175 PRO CB C 31.89 . 1 1505 175 PRO CG C 27.11 . 1 1506 175 PRO CD C 50.52 . 1 1507 176 GLY H H 10.37 . 1 1508 176 GLY HA2 H 4.55 . 2 1509 176 GLY HA3 H 3.66 . 2 1510 176 GLY CA C 44.85 . 1 1511 176 GLY N N 110.88 . 1 1512 177 ILE H H 7.23 . 1 1513 177 ILE HA H 3.77 . 1 1514 177 ILE HB H 1.79 . 1 1515 177 ILE HG2 H 0.98 . 1 1516 177 ILE HD1 H 1.24 . 1 1517 177 ILE CA C 66.11 . 1 1518 177 ILE CB C 39.43 . 1 1519 177 ILE CG2 C 18.23 . 1 1520 177 ILE CD1 C 15.07 . 1 1521 177 ILE N N 119.93 . 1 1522 178 GLN H H 8.63 . 1 1523 178 GLN HA H 3.28 . 1 1524 178 GLN HB2 H 1.86 . 2 1525 178 GLN HB3 H 1.33 . 2 1526 178 GLN HG2 H 2.06 . 2 1527 178 GLN CA C 60.88 . 1 1528 178 GLN CB C 27.85 . 1 1529 178 GLN CG C 33.63 . 1 1530 178 GLN N N 119.48 . 1 1531 179 GLY H H 8.62 . 1 1532 179 GLY HA2 H 3.91 . 2 1533 179 GLY HA3 H 3.80 . 2 1534 179 GLY CA C 47.07 . 1 1535 179 GLY N N 107.02 . 1 1536 180 ASN H H 8.90 . 1 1537 180 ASN HA H 4.70 . 1 1538 180 ASN HB2 H 2.81 . 2 1539 180 ASN HB3 H 2.55 . 2 1540 180 ASN CA C 55.70 . 1 1541 180 ASN CB C 37.95 . 1 1542 180 ASN N N 120.59 . 1 1543 181 LEU H H 8.80 . 1 1544 181 LEU HA H 4.20 . 1 1545 181 LEU HB2 H 1.89 . 2 1546 181 LEU HD1 H 0.93 . 1 1547 181 LEU HD2 H 0.89 . 1 1548 181 LEU CA C 58.17 . 1 1549 181 LEU CB C 41.71 . 1 1550 181 LEU CD1 C 27.77 . 1 1551 181 LEU CD2 C 24.16 . 1 1552 181 LEU N N 122.22 . 1 1553 182 ASN H H 8.74 . 1 1554 182 ASN HA H 4.38 . 1 1555 182 ASN HB2 H 3.01 . 2 1556 182 ASN HB3 H 2.85 . 2 1557 182 ASN CA C 57.18 . 1 1558 182 ASN CB C 38.69 . 1 1559 182 ASN N N 118.83 . 1 1560 183 SER H H 8.42 . 1 1561 183 SER HA H 4.26 . 1 1562 183 SER HB2 H 4.10 . 2 1563 183 SER HB3 H 4.00 . 2 1564 183 SER CA C 61.63 . 1 1565 183 SER CB C 62.84 . 1 1566 183 SER N N 115.51 . 1 1567 184 TYR H H 8.10 . 1 1568 184 TYR HA H 4.10 . 1 1569 184 TYR HB2 H 3.22 . 2 1570 184 TYR HD1 H 6.96 . 3 1571 184 TYR HE1 H 6.48 . 3 1572 184 TYR CA C 62.85 . 1 1573 184 TYR CB C 38.69 . 1 1574 184 TYR CD1 C 133.02 . 1 1575 184 TYR CE1 C 117.78 . 1 1576 184 TYR N N 122.12 . 1 1577 185 TYR H H 9.13 . 1 1578 185 TYR HA H 4.08 . 1 1579 185 TYR HB2 H 3.22 . 2 1580 185 TYR HB3 H 2.92 . 2 1581 185 TYR HD1 H 7.41 . 3 1582 185 TYR HE1 H 6.57 . 3 1583 185 TYR CA C 61.62 . 1 1584 185 TYR CB C 38.45 . 1 1585 185 TYR CD1 C 133.31 . 1 1586 185 TYR CE1 C 117.39 . 1 1587 185 TYR N N 119.38 . 1 1588 186 SER H H 8.18 . 1 1589 186 SER HA H 4.25 . 1 1590 186 SER HB2 H 4.07 . 2 1591 186 SER HB3 H 4.01 . 2 1592 186 SER CA C 61.58 . 1 1593 186 SER CB C 63.10 . 1 1594 186 SER N N 112.69 . 1 1595 187 GLN H H 7.88 . 1 1596 187 GLN HA H 4.27 . 1 1597 187 GLN HB2 H 2.03 . 2 1598 187 GLN HG2 H 2.56 . 2 1599 187 GLN HG3 H 2.35 . 2 1600 187 GLN CA C 57.67 . 1 1601 187 GLN CB C 30.30 . 1 1602 187 GLN CG C 34.29 . 1 1603 187 GLN N N 117.56 . 1 1604 188 GLN H H 8.60 . 1 1605 188 GLN HA H 4.25 . 1 1606 188 GLN HB2 H 1.59 . 2 1607 188 GLN HB3 H 0.78 . 2 1608 188 GLN HG2 H 1.90 . 2 1609 188 GLN CA C 55.70 . 1 1610 188 GLN CB C 28.34 . 1 1611 188 GLN CG C 33.02 . 1 1612 188 GLN N N 115.64 . 1 1613 189 GLY H H 7.30 . 1 1614 189 GLY HA2 H 4.10 . 2 1615 189 GLY HA3 H 3.78 . 2 1616 189 GLY CA C 43.48 . 1 1617 189 GLY N N 108.28 . 1 1618 190 VAL H H 7.85 . 1 1619 190 VAL HA H 3.54 . 1 1620 190 VAL HB H 1.95 . 1 1621 190 VAL HG1 H 1.01 . 1 1622 190 VAL HG2 H 1.19 . 1 1623 190 VAL CA C 60.14 . 1 1624 190 VAL CB C 32.28 . 1 1625 190 VAL CG1 C 21.23 . 1 1626 190 VAL CG2 C 22.01 . 1 1627 190 VAL N N 117.56 . 1 1628 191 PRO HA H 4.42 . 1 1629 191 PRO HD2 H 3.48 . 2 1630 191 PRO HD3 H 3.21 . 2 1631 191 PRO CA C 62.36 . 1 1632 191 PRO CB C 31.11 . 1 1633 191 PRO CD C 49.78 . 1 1634 192 ALA H H 8.42 . 1 1635 192 ALA HA H 4.29 . 1 1636 192 ALA HB H 1.47 . 1 1637 192 ALA CA C 53.48 . 1 1638 192 ALA CB C 19.47 . 1 1639 192 ALA N N 119.82 . 1 1640 193 SER H H 7.29 . 1 1641 193 SER HA H 5.07 . 1 1642 193 SER HB2 H 3.76 . 2 1643 193 SER HB3 H 3.14 . 2 1644 193 SER HG H 3.71 . 1 1645 193 SER CA C 55.45 . 1 1646 193 SER CB C 65.60 . 1 1647 193 SER N N 106.57 . 1 1648 194 ILE H H 7.07 . 1 1649 194 ILE HA H 4.95 . 1 1650 194 ILE HB H 1.45 . 1 1651 194 ILE HG2 H 0.33 . 1 1652 194 ILE HD1 H 1.02 . 1 1653 194 ILE CA C 60.63 . 1 1654 194 ILE CB C 41.65 . 1 1655 194 ILE CG2 C 17.40 . 1 1656 194 ILE CD1 C 14.32 . 1 1657 194 ILE N N 126.97 . 1 1658 195 THR H H 8.48 . 1 1659 195 THR HA H 5.01 . 1 1660 195 THR HB H 3.73 . 1 1661 195 THR HG2 H 0.51 . 1 1662 195 THR CA C 61.37 . 1 1663 195 THR CB C 70.49 . 1 1664 195 THR CG2 C 22.24 . 1 1665 195 THR N N 120.85 . 1 1666 196 PHE H H 8.27 . 1 1667 196 PHE HA H 5.00 . 1 1668 196 PHE HB2 H 3.13 . 2 1669 196 PHE HB3 H 2.65 . 2 1670 196 PHE HD1 H 7.26 . 3 1671 196 PHE HE1 H 7.42 . 3 1672 196 PHE HZ H 6.97 . 1 1673 196 PHE CA C 57.67 . 1 1674 196 PHE CB C 42.39 . 1 1675 196 PHE CE1 C 132.63 . 1 1676 196 PHE CZ C 128.99 . 1 1677 196 PHE N N 122.44 . 1 1678 197 PHE H H 9.36 . 1 1679 197 PHE HA H 4.53 . 1 1680 197 PHE HB2 H 3.32 . 2 1681 197 PHE HB3 H 3.14 . 2 1682 197 PHE HD1 H 7.25 . 3 1683 197 PHE HE1 H 6.53 . 3 1684 197 PHE HZ H 6.25 . 1 1685 197 PHE CA C 58.16 . 1 1686 197 PHE CB C 40.91 . 1 1687 197 PHE CD1 C 133.03 . 1 1688 197 PHE CE1 C 130.88 . 1 1689 197 PHE CZ C 128.21 . 1 1690 197 PHE N N 120.99 . 1 1691 198 SER H H 7.88 . 1 1692 198 SER HA H 4.95 . 1 1693 198 SER HB2 H 4.01 . 2 1694 198 SER CA C 57.92 . 1 1695 198 SER CB C 62.85 . 1 1696 198 SER N N 113.69 . 1 1697 199 PRO HA H 4.02 . 1 1698 199 PRO CA C 65.33 . 1 1699 200 SER HA H 3.92 . 1 1700 200 SER HB2 H 3.66 . 2 1701 200 SER HB3 H 3.57 . 2 1702 200 SER CA C 61.86 . 1 1703 200 SER CB C 62.36 . 1 1704 201 GLY H H 8.22 . 1 1705 201 GLY HA2 H 4.52 . 2 1706 201 GLY HA3 H 3.65 . 2 1707 201 GLY CA C 47.57 . 1 1708 201 GLY N N 108.95 . 1 1709 202 LEU H H 7.26 . 1 1710 202 LEU HA H 3.88 . 1 1711 202 LEU HB2 H 1.89 . 2 1712 202 LEU HB3 H 0.83 . 2 1713 202 LEU HD1 H 0.10 . 1 1714 202 LEU HD2 H 0.42 . 1 1715 202 LEU CA C 58.17 . 1 1716 202 LEU CB C 41.16 . 1 1717 202 LEU CD1 C 25.13 . 1 1718 202 LEU CD2 C 26.31 . 1 1719 202 LEU N N 121.65 . 1 1720 203 THR H H 8.00 . 1 1721 203 THR HA H 3.71 . 1 1722 203 THR HB H 3.87 . 1 1723 203 THR HG2 H 1.04 . 1 1724 203 THR CA C 66.57 . 1 1725 203 THR CB C 68.27 . 1 1726 203 THR CG2 C 21.77 . 1 1727 203 THR N N 116.66 . 1 1728 204 TYR H H 8.02 . 1 1729 204 TYR HA H 4.89 . 1 1730 204 TYR HB2 H 3.40 . 2 1731 204 TYR HB3 H 2.91 . 2 1732 204 TYR HD1 H 7.07 . 3 1733 204 TYR HE1 H 6.66 . 3 1734 204 TYR CA C 57.18 . 1 1735 204 TYR CB C 38.20 . 1 1736 204 TYR CD1 C 132.26 . 1 1737 204 TYR CE1 C 117.64 . 1 1738 204 TYR N N 116.55 . 1 1739 205 SER H H 7.79 . 1 1740 205 SER HA H 4.90 . 1 1741 205 SER HB2 H 4.01 . 2 1742 205 SER HB3 H 3.93 . 2 1743 205 SER HG H 5.01 . 1 1744 205 SER CA C 60.14 . 1 1745 205 SER CB C 66.79 . 1 1746 205 SER N N 110.20 . 1 1747 206 LEU H H 8.57 . 1 1748 206 LEU HA H 4.01 . 1 1749 206 LEU HD1 H 0.75 . 1 1750 206 LEU HD2 H 0.72 . 1 1751 206 LEU CA C 59.43 . 1 1752 206 LEU CB C 40.91 . 1 1753 206 LEU CD1 C 22.48 . 1 1754 206 LEU CD2 C 25.77 . 1 1755 206 LEU N N 125.16 . 1 1756 207 LYS H H 8.88 . 1 1757 207 LYS HA H 4.21 . 1 1758 207 LYS HB2 H 1.69 . 2 1759 207 LYS HB3 H 1.43 . 2 1760 207 LYS HG2 H 1.15 . 2 1761 207 LYS HD2 H 1.60 . 2 1762 207 LYS HD3 H 1.55 . 2 1763 207 LYS HE2 H 2.91 . 2 1764 207 LYS CA C 59.15 . 1 1765 207 LYS CB C 31.54 . 1 1766 207 LYS CG C 24.18 . 1 1767 207 LYS CD C 29.11 . 1 1768 207 LYS CE C 41.90 . 1 1769 207 LYS N N 117.34 . 1 1770 208 HIS H H 6.90 . 1 1771 208 HIS HA H 4.64 . 1 1772 208 HIS HB2 H 3.13 . 2 1773 208 HIS HB3 H 3.03 . 2 1774 208 HIS HD2 H 7.06 . 1 1775 208 HIS HE1 H 7.80 . 1 1776 208 HIS CA C 57.92 . 1 1777 208 HIS CB C 30.80 . 1 1778 208 HIS CD2 C 119.90 . 1 1779 208 HIS CE1 C 139.86 . 1 1780 208 HIS N N 116.66 . 1 1781 209 ILE H H 7.99 . 1 1782 209 ILE HA H 3.57 . 1 1783 209 ILE HB H 2.32 . 1 1784 209 ILE HG2 H 1.09 . 1 1785 209 ILE HD1 H 1.15 . 1 1786 209 ILE CA C 65.07 . 1 1787 209 ILE CB C 38.20 . 1 1788 209 ILE CG2 C 16.73 . 1 1789 209 ILE CD1 C 14.40 . 1 1790 209 ILE N N 118.85 . 1 1791 210 GLN H H 9.25 . 1 1792 210 GLN HA H 4.05 . 1 1793 210 GLN HG2 H 2.42 . 2 1794 210 GLN HE21 H 7.25 . 1 1795 210 GLN HE22 H 6.80 . 1 1796 210 GLN CA C 59.84 . 1 1797 210 GLN CB C 28.31 . 1 1798 210 GLN CG C 33.99 . 1 1799 210 GLN N N 122.55 . 1 1800 210 GLN NE2 N 110.46 . 1 1801 211 GLU H H 8.12 . 1 1802 211 GLU HA H 4.03 . 1 1803 211 GLU HB2 H 2.23 . 2 1804 211 GLU HB3 H 2.11 . 2 1805 211 GLU HG2 H 2.44 . 2 1806 211 GLU HG3 H 2.22 . 2 1807 211 GLU CA C 59.48 . 1 1808 211 GLU CB C 29.75 . 1 1809 211 GLU CG C 36.26 . 1 1810 211 GLU N N 120.64 . 1 1811 212 LEU H H 8.10 . 1 1812 212 LEU HA H 3.99 . 1 1813 212 LEU HB2 H 0.97 . 2 1814 212 LEU HB3 H 0.39 . 2 1815 212 LEU HG H 1.57 . 1 1816 212 LEU HD1 H 0.49 . 1 1817 212 LEU HD2 H 0.78 . 1 1818 212 LEU CA C 56.69 . 1 1819 212 LEU CB C 41.65 . 1 1820 212 LEU CD1 C 26.32 . 1 1821 212 LEU CD2 C 22.84 . 1 1822 212 LEU N N 117.11 . 1 1823 213 SER H H 7.93 . 1 1824 213 SER HA H 4.55 . 1 1825 213 SER HB2 H 4.04 . 2 1826 213 SER HB3 H 3.72 . 2 1827 213 SER HG H 5.45 . 1 1828 213 SER CA C 60.96 . 1 1829 213 SER CB C 64.08 . 1 1830 213 SER N N 110.99 . 1 1831 214 GLY H H 7.63 . 1 1832 214 GLY HA2 H 4.02 . 2 1833 214 GLY HA3 H 3.75 . 2 1834 214 GLY CA C 46.83 . 1 1835 214 GLY N N 107.38 . 1 1836 215 ASP HA H 4.65 . 1 1837 215 ASP HB2 H 2.86 . 2 1838 215 ASP HB3 H 2.69 . 2 1839 215 ASP CA C 55.72 . 1 1840 215 ASP CB C 40.17 . 1 1841 216 ASN H H 8.27 . 1 1842 216 ASN HA H 4.94 . 1 1843 216 ASN HB2 H 3.12 . 2 1844 216 ASN HB3 H 3.03 . 2 1845 216 ASN CA C 54.22 . 1 1846 216 ASN CB C 38.94 . 1 1847 216 ASN N N 114.84 . 1 1848 217 ILE H H 7.53 . 1 1849 217 ILE HA H 4.04 . 1 1850 217 ILE HB H 2.07 . 1 1851 217 ILE HG2 H 1.12 . 1 1852 217 ILE HD1 H 1.11 . 1 1853 217 ILE CA C 64.19 . 1 1854 217 ILE CB C 39.18 . 1 1855 217 ILE CG2 C 16.74 . 1 1856 217 ILE CD1 C 15.07 . 1 1857 217 ILE N N 120.74 . 1 1858 218 ASP H H 7.72 . 1 1859 218 ASP HA H 4.64 . 1 1860 218 ASP HB2 H 2.79 . 2 1861 218 ASP CA C 55.49 . 1 1862 218 ASP CB C 40.46 . 1 1863 218 ASP N N 118.60 . 1 1864 219 GLN H H 7.85 . 1 1865 219 GLN HA H 4.32 . 1 1866 219 GLN HB2 H 2.10 . 2 1867 219 GLN HG2 H 2.44 . 2 1868 219 GLN HG3 H 2.34 . 2 1869 219 GLN CA C 55.49 . 1 1870 219 GLN CB C 29.31 . 1 1871 219 GLN CG C 33.97 . 1 1872 219 GLN N N 116.43 . 1 1873 220 ILE H H 7.30 . 1 1874 220 ILE HA H 3.47 . 1 1875 220 ILE HB H 1.49 . 1 1876 220 ILE HG2 H -0.12 . 1 1877 220 ILE HD1 H 0.87 . 1 1878 220 ILE CA C 62.11 . 1 1879 220 ILE CB C 39.43 . 1 1880 220 ILE CG2 C 16.75 . 1 1881 220 ILE CD1 C 14.72 . 1 1882 220 ILE N N 121.76 . 1 1883 221 LYS H H 7.96 . 1 1884 221 LYS HA H 4.52 . 1 1885 221 LYS HG2 H 1.68 . 2 1886 221 LYS HD2 H 1.59 . 2 1887 221 LYS HE2 H 3.03 . 2 1888 221 LYS CA C 53.73 . 1 1889 221 LYS CB C 30.41 . 1 1890 221 LYS CG C 25.13 . 1 1891 221 LYS CD C 28.01 . 1 1892 221 LYS N N 123.80 . 1 1893 222 PHE H H 9.57 . 1 1894 222 PHE HA H 5.12 . 1 1895 222 PHE HB2 H 3.54 . 2 1896 222 PHE HB3 H 3.01 . 2 1897 222 PHE HD1 H 7.51 . 3 1898 222 PHE HE1 H 7.43 . 3 1899 222 PHE HZ H 7.12 . 1 1900 222 PHE CA C 59.65 . 1 1901 222 PHE CB C 39.92 . 1 1902 222 PHE CD1 C 132.20 . 1 1903 222 PHE CE1 C 131.69 . 1 1904 222 PHE CZ C 129.21 . 1 1905 222 PHE N N 128.22 . 1 1906 223 ALA H H 9.36 . 1 1907 223 ALA HA H 5.49 . 1 1908 223 ALA HB H 1.18 . 1 1909 223 ALA CA C 49.54 . 1 1910 223 ALA CB C 23.14 . 1 1911 223 ALA N N 126.07 . 1 1912 224 ALA H H 8.47 . 1 1913 224 ALA HA H 5.17 . 1 1914 224 ALA HB H 1.40 . 1 1915 224 ALA CA C 49.29 . 1 1916 224 ALA CB C 23.65 . 1 1917 224 ALA N N 120.74 . 1 1918 225 ILE H H 7.24 . 1 1919 225 ILE HA H 4.06 . 1 1920 225 ILE HB H 0.93 . 1 1921 225 ILE HG2 H 0.98 . 1 1922 225 ILE HD1 H 0.79 . 1 1923 225 ILE CA C 57.95 . 1 1924 225 ILE CB C 39.43 . 1 1925 225 ILE CG2 C 20.52 . 1 1926 225 ILE CD1 C 14.26 . 1 1927 225 ILE N N 118.81 . 1 1928 226 GLY H H 6.87 . 1 1929 226 GLY HA2 H 4.27 . 2 1930 226 GLY HA3 H 3.65 . 2 1931 226 GLY CA C 45.45 . 1 1932 226 GLY N N 103.96 . 1 1933 227 PRO HA H 4.31 . 1 1934 227 PRO HB2 H 2.46 . 2 1935 227 PRO HB3 H 2.08 . 2 1936 227 PRO HG2 H 2.21 . 2 1937 227 PRO HG3 H 2.08 . 2 1938 227 PRO HD2 H 3.88 . 2 1939 227 PRO HD3 H 3.65 . 2 1940 227 PRO CA C 65.33 . 1 1941 227 PRO CB C 32.78 . 1 1942 227 PRO CG C 27.41 . 1 1943 227 PRO CD C 50.52 . 1 1944 228 THR HA H 3.97 . 1 1945 228 THR HB H 4.36 . 1 1946 228 THR HG2 H 1.29 . 1 1947 228 THR CA C 66.79 . 1 1948 228 THR CB C 67.78 . 1 1949 228 THR CG2 C 22.41 . 1 1950 229 THR HA H 4.01 . 1 1951 229 THR HB H 4.01 . 1 1952 229 THR HG2 H 0.98 . 1 1953 229 THR CA C 67.29 . 1 1954 229 THR CB C 67.29 . 1 1955 229 THR CG2 C 22.09 . 1 1956 230 ALA H H 8.11 . 1 1957 230 ALA HA H 3.80 . 1 1958 230 ALA HB H 1.51 . 1 1959 230 ALA CA C 55.95 . 1 1960 230 ALA CB C 18.72 . 1 1961 230 ALA N N 124.82 . 1 1962 231 ARG H H 8.18 . 1 1963 231 ARG HA H 3.98 . 1 1964 231 ARG HB2 H 1.87 . 2 1965 231 ARG HG2 H 1.88 . 2 1966 231 ARG HG3 H 1.64 . 2 1967 231 ARG HD2 H 3.27 . 2 1968 231 ARG HD3 H 3.17 . 2 1969 231 ARG CA C 59.30 . 1 1970 231 ARG CB C 30.19 . 1 1971 231 ARG CG C 28.02 . 1 1972 231 ARG CD C 43.47 . 1 1973 231 ARG N N 117.06 . 1 1974 232 ALA H H 7.28 . 1 1975 232 ALA HA H 4.20 . 1 1976 232 ALA HB H 1.50 . 1 1977 232 ALA CA C 54.71 . 1 1978 232 ALA CB C 17.58 . 1 1979 232 ALA N N 122.57 . 1 1980 233 LEU H H 7.75 . 1 1981 233 LEU HA H 3.58 . 1 1982 233 LEU HB2 H 1.72 . 2 1983 233 LEU HB3 H 1.46 . 2 1984 233 LEU HD1 H 0.76 . 1 1985 233 LEU HD2 H 0.65 . 1 1986 233 LEU CA C 59.40 . 1 1987 233 LEU CB C 41.90 . 1 1988 233 LEU CD1 C 26.04 . 1 1989 233 LEU CD2 C 26.56 . 1 1990 233 LEU N N 119.83 . 1 1991 234 ALA H H 7.91 . 1 1992 234 ALA HA H 4.24 . 1 1993 234 ALA HB H 1.44 . 1 1994 234 ALA CA C 54.71 . 1 1995 234 ALA CB C 17.98 . 1 1996 234 ALA N N 120.86 . 1 1997 235 ALA H H 8.04 . 1 1998 235 ALA HA H 4.16 . 1 1999 235 ALA HB H 1.49 . 1 2000 235 ALA CA C 54.49 . 1 2001 235 ALA CB C 17.95 . 1 2002 235 ALA N N 121.20 . 1 2003 236 GLN H H 7.29 . 1 2004 236 GLN HA H 4.30 . 1 2005 236 GLN HB2 H 2.10 . 2 2006 236 GLN HG2 H 2.41 . 2 2007 236 GLN HG3 H 2.08 . 2 2008 236 GLN CA C 54.47 . 1 2009 236 GLN CB C 27.91 . 1 2010 236 GLN CG C 32.85 . 1 2011 236 GLN N N 114.24 . 1 2012 237 GLY H H 7.85 . 1 2013 237 GLY HA2 H 4.08 . 2 2014 237 GLY HA3 H 3.69 . 2 2015 237 GLY CA C 45.55 . 1 2016 237 GLY N N 106.46 . 1 2017 238 LEU H H 7.38 . 1 2018 238 LEU HA H 4.73 . 1 2019 238 LEU HD1 H 0.29 . 1 2020 238 LEU HD2 H 0.50 . 1 2021 238 LEU CA C 51.76 . 1 2022 238 LEU CB C 41.61 . 1 2023 238 LEU CD1 C 25.36 . 1 2024 238 LEU CD2 C 23.13 . 1 2025 238 LEU N N 122.02 . 1 2026 239 PRO HA H 4.45 . 1 2027 239 PRO HB2 H 2.25 . 2 2028 239 PRO HB3 H 1.94 . 2 2029 239 PRO HG2 H 2.36 . 2 2030 239 PRO HG3 H 2.14 . 2 2031 239 PRO HD2 H 3.99 . 2 2032 239 PRO HD3 H 3.75 . 2 2033 239 PRO CA C 61.97 . 1 2034 239 PRO CB C 31.51 . 1 2035 239 PRO CG C 27.57 . 1 2036 239 PRO CD C 50.52 . 1 2037 240 VAL H H 8.59 . 1 2038 240 VAL HA H 3.99 . 1 2039 240 VAL HB H 2.04 . 1 2040 240 VAL HG1 H 0.78 . 1 2041 240 VAL HG2 H 0.94 . 1 2042 240 VAL CA C 62.43 . 1 2043 240 VAL CB C 31.83 . 1 2044 240 VAL CG1 C 22.55 . 1 2045 240 VAL CG2 C 22.36 . 1 2046 240 VAL N N 125.06 . 1 2047 241 SER H H 9.00 . 1 2048 241 SER HA H 4.50 . 1 2049 241 SER HB2 H 3.84 . 2 2050 241 SER HB3 H 3.76 . 2 2051 241 SER CA C 61.44 . 1 2052 241 SER CB C 63.75 . 1 2053 241 SER N N 124.03 . 1 2054 242 CYS H H 7.30 . 1 2055 242 CYS HA H 4.65 . 1 2056 242 CYS HB2 H 2.76 . 2 2057 242 CYS HB3 H 2.49 . 2 2058 242 CYS CA C 57.16 . 1 2059 242 CYS CB C 29.40 . 1 2060 242 CYS N N 116.20 . 1 2061 243 THR H H 8.54 . 1 2062 243 THR HA H 4.83 . 1 2063 243 THR HB H 3.73 . 1 2064 243 THR HG2 H 0.82 . 1 2065 243 THR CA C 61.37 . 1 2066 243 THR CB C 69.24 . 1 2067 243 THR CG2 C 20.54 . 1 2068 243 THR N N 124.22 . 1 2069 244 ALA H H 8.09 . 1 2070 244 ALA HA H 4.00 . 1 2071 244 ALA HB H 1.49 . 1 2072 244 ALA CA C 52.99 . 1 2073 244 ALA CB C 18.23 . 1 2074 244 ALA N N 129.89 . 1 2075 245 GLU H H 9.00 . 1 2076 245 GLU HA H 3.97 . 1 2077 245 GLU HB2 H 2.08 . 2 2078 245 GLU HG2 H 2.36 . 2 2079 245 GLU CA C 59.24 . 1 2080 245 GLU CB C 30.42 . 1 2081 245 GLU CG C 36.73 . 1 2082 245 GLU N N 123.14 . 1 2083 246 SER H H 7.49 . 1 2084 246 SER HA H 4.78 . 1 2085 246 SER HB2 H 3.88 . 2 2086 246 SER HB3 H 3.73 . 2 2087 246 SER CA C 55.73 . 1 2088 246 SER CB C 64.69 . 1 2089 246 SER N N 110.88 . 1 2090 247 PRO HA H 4.99 . 1 2091 247 PRO HB2 H 2.51 . 2 2092 247 PRO HD2 H 3.76 . 2 2093 247 PRO CA C 62.11 . 1 2094 247 PRO CB C 28.09 . 1 2095 247 PRO CD C 49.54 . 1 2096 248 THR H H 8.53 . 1 2097 248 THR HA H 5.02 . 1 2098 248 THR HB H 4.52 . 1 2099 248 THR HG2 H 1.21 . 1 2100 248 THR CA C 57.92 . 1 2101 248 THR CB C 70.74 . 1 2102 248 THR CG2 C 22.02 . 1 2103 248 THR N N 112.70 . 1 2104 249 PRO HA H 4.03 . 1 2105 249 PRO HD2 H 3.74 . 2 2106 249 PRO HD3 H 3.55 . 2 2107 249 PRO CA C 65.07 . 1 2108 249 PRO CB C 32.21 . 1 2109 249 PRO CD C 50.28 . 1 2110 250 GLN H H 8.43 . 1 2111 250 GLN HA H 3.92 . 1 2112 250 GLN HB2 H 2.12 . 2 2113 250 GLN HB3 H 1.98 . 2 2114 250 GLN HG2 H 2.52 . 2 2115 250 GLN HG3 H 2.48 . 2 2116 250 GLN CA C 60.14 . 1 2117 250 GLN CB C 27.71 . 1 2118 250 GLN CG C 34.30 . 1 2119 250 GLN N N 115.49 . 1 2120 251 ALA H H 7.82 . 1 2121 251 ALA HA H 4.26 . 1 2122 251 ALA HB H 1.76 . 1 2123 251 ALA CA C 54.67 . 1 2124 251 ALA CB C 19.38 . 1 2125 251 ALA N N 121.87 . 1 2126 252 LEU H H 8.49 . 1 2127 252 LEU HA H 4.12 . 1 2128 252 LEU HD1 H 0.78 . 1 2129 252 LEU HD2 H 1.08 . 1 2130 252 LEU CA C 58.17 . 1 2131 252 LEU CB C 40.91 . 1 2132 252 LEU CD1 C 22.36 . 1 2133 252 LEU CD2 C 26.42 . 1 2134 252 LEU N N 120.43 . 1 2135 253 ALA H H 8.34 . 1 2136 253 ALA HA H 3.81 . 1 2137 253 ALA HB H 1.32 . 1 2138 253 ALA CA C 55.91 . 1 2139 253 ALA CB C 18.44 . 1 2140 253 ALA N N 119.72 . 1 2141 254 THR H H 7.84 . 1 2142 254 THR HA H 3.67 . 1 2143 254 THR HB H 4.16 . 1 2144 254 THR HG2 H 1.24 . 1 2145 254 THR CA C 66.30 . 1 2146 254 THR CB C 68.77 . 1 2147 254 THR CG2 C 21.77 . 1 2148 254 THR N N 110.99 . 1 2149 255 GLY H H 7.75 . 1 2150 255 GLY HA2 H 4.13 . 2 2151 255 GLY HA3 H 3.83 . 2 2152 255 GLY CA C 47.81 . 1 2153 255 GLY N N 108.77 . 1 2154 256 ILE H H 8.80 . 1 2155 256 ILE HA H 3.53 . 1 2156 256 ILE HB H 1.63 . 1 2157 256 ILE HG12 H 1.60 . 2 2158 256 ILE HG13 H 0.76 . 2 2159 256 ILE HG2 H 0.71 . 1 2160 256 ILE HD1 H 0.58 . 1 2161 256 ILE CA C 65.39 . 1 2162 256 ILE CB C 37.46 . 1 2163 256 ILE CG1 C 29.32 . 1 2164 256 ILE CG2 C 18.30 . 1 2165 256 ILE CD1 C 12.78 . 1 2166 256 ILE N N 123.50 . 1 2167 257 ARG H H 8.26 . 1 2168 257 ARG HA H 3.79 . 1 2169 257 ARG HB2 H 1.87 . 2 2170 257 ARG HB3 H 1.74 . 2 2171 257 ARG HG2 H 1.73 . 2 2172 257 ARG HG3 H 1.59 . 2 2173 257 ARG HD2 H 2.87 . 2 2174 257 ARG HD3 H 2.86 . 2 2175 257 ARG CA C 60.14 . 1 2176 257 ARG CB C 29.82 . 1 2177 257 ARG CG C 27.08 . 1 2178 257 ARG CD C 43.62 . 1 2179 257 ARG N N 118.81 . 1 2180 258 LYS H H 7.53 . 1 2181 258 LYS HA H 4.01 . 1 2182 258 LYS HB2 H 1.94 . 2 2183 258 LYS HD2 H 1.71 . 2 2184 258 LYS HE2 H 2.98 . 2 2185 258 LYS CA C 59.12 . 1 2186 258 LYS CB C 32.36 . 1 2187 258 LYS CD C 29.27 . 1 2188 258 LYS N N 116.88 . 1 2189 259 ALA H H 7.71 . 1 2190 259 ALA HA H 4.21 . 1 2191 259 ALA HB H 1.35 . 1 2192 259 ALA CA C 54.06 . 1 2193 259 ALA CB C 18.25 . 1 2194 259 ALA N N 120.09 . 1 2195 260 LEU H H 7.85 . 1 2196 260 LEU HA H 4.32 . 1 2197 260 LEU HB2 H 1.71 . 2 2198 260 LEU HD1 H 0.70 . 1 2199 260 LEU HD2 H 0.77 . 1 2200 260 LEU CA C 55.21 . 1 2201 260 LEU CB C 42.14 . 1 2202 260 LEU CD1 C 26.24 . 1 2203 260 LEU CD2 C 23.24 . 1 2204 260 LEU N N 114.69 . 1 2205 261 GLN H H 7.78 . 1 2206 261 GLN HA H 4.60 . 1 2207 261 GLN HB2 H 2.09 . 2 2208 261 GLN HG2 H 2.42 . 2 2209 261 GLN CA C 54.72 . 1 2210 261 GLN CB C 28.59 . 1 2211 261 GLN CG C 33.79 . 1 2212 261 GLN N N 119.88 . 1 2213 262 PRO HA H 4.43 . 1 2214 262 PRO HB2 H 2.29 . 2 2215 262 PRO HB3 H 1.78 . 2 2216 262 PRO HG2 H 1.98 . 2 2217 262 PRO HD2 H 3.64 . 2 2218 262 PRO CA C 64.08 . 1 2219 262 PRO CB C 31.91 . 1 2220 262 PRO CG C 27.53 . 1 2221 262 PRO CD C 50.77 . 1 2222 263 HIS HA H 4.66 . 1 2223 263 HIS HB2 H 3.23 . 2 2224 263 HIS HB3 H 3.11 . 2 2225 263 HIS HD2 H 7.06 . 1 2226 263 HIS CA C 56.44 . 1 2227 263 HIS CB C 30.80 . 1 2228 263 HIS CD2 C 120.31 . 1 2229 264 GLY HA2 H 4.06 . 2 2230 264 GLY HA3 H 3.95 . 2 2231 264 GLY CA C 45.39 . 1 2232 265 CYS HA H 4.59 . 1 2233 265 CYS HB2 H 2.95 . 2 2234 265 CYS CA C 58.71 . 1 2235 265 CYS CB C 28.25 . 1 2236 266 CYS H H 8.08 . 1 2237 266 CYS HA H 4.40 . 1 2238 266 CYS HB2 H 2.97 . 2 2239 266 CYS CA C 59.54 . 1 2240 266 CYS CB C 28.98 . 1 2241 266 CYS N N 125.18 . 1 stop_ save_