data_6280 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Resonance assignment of the double-stranded RNA-binding domains of adenosine deaminase acting on RNA ; _BMRB_accession_number 6280 _BMRB_flat_file_name bmr6280.str _Entry_type original _Submission_date 2004-07-30 _Accession_date 2004-08-02 _Entry_origination author _NMR_STAR_version 2.1.1 _Experimental_method NMR _Details . loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Stefl Richard . . 2 Skrisovska Lenka . . 3 Xu Ming . . 4 Emeson Ronald . . 5 Allain Frederic . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 1060 "13C chemical shifts" 613 "15N chemical shifts" 222 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2005-02-08 original author . stop_ _Original_release_date 2005-02-08 save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title ; Letter to the Editor: Resonance assignments of the double-stranded RNA-binding of adenosine deaminase acting on RNA 2 (ADAR2) ; _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID ? loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Stefl Richard . . 2 Skrisovska Lenka . . 3 Xu Ming . . 4 Emeson Ronald B. . 5 Allain Frederic H.-T. . stop_ _Journal_abbreviation 'J. Biomol. NMR' _Journal_volume 31 _Journal_issue 1 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 71 _Page_last 72 _Year 2005 _Details . save_ ################################## # Molecular system description # ################################## save_system_dsRBD12_of_ADAR2 _Saveframe_category molecular_system _Mol_system_name 'double-stranded RNA-binding domains of adenosine deaminase acting on RNA' _Abbreviation_common 'dsRBD12 of ADAR2' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label 'dsRBD12 of ADAR2' $dsRBD12 stop_ _System_molecular_weight . _System_physical_state native _System_oligomer_state monomer _System_paramagnetic no _System_thiol_state 'not present' _Database_query_date . _Details . save_ ######################## # Monomeric polymers # ######################## save_dsRBD12 _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common 'double-stranded RNA-binding domains of adenosine deaminase acting on RNA' _Abbreviation_common 'dsRBD12 of ADAR2' _Molecular_mass . _Mol_thiol_state 'not present' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 294 _Mol_residue_sequence ; MQYKLILNGKTLKGETTTEA VDAATAEKVFKQYANDNGVD GEWTYDDATKTFTVTEGSPG PVLPKNALMQLNEIKPGLQY MLLSQTGPVHAPLFVMSVEV NGQVFEGSGPTKKKAKLHAA EKALRSFVQFPNASEAHLAM GRTLSVNTDFTSDQADFPDT LFNGFETPDKSEPPFYVGSN GDDSFSSSGDVSLSASPVPA SLTQPPLPIPPPFPPPSGKN PVMILNELRPGLKYDFLSES GESHAKSFVMSVVVDGQFFE GSGRNKKLAKARAAQSALAT VFNLHLLEHHHHHH ; loop_ _Residue_seq_code _Residue_label 1 MET 2 GLN 3 TYR 4 LYS 5 LEU 6 ILE 7 LEU 8 ASN 9 GLY 10 LYS 11 THR 12 LEU 13 LYS 14 GLY 15 GLU 16 THR 17 THR 18 THR 19 GLU 20 ALA 21 VAL 22 ASP 23 ALA 24 ALA 25 THR 26 ALA 27 GLU 28 LYS 29 VAL 30 PHE 31 LYS 32 GLN 33 TYR 34 ALA 35 ASN 36 ASP 37 ASN 38 GLY 39 VAL 40 ASP 41 GLY 42 GLU 43 TRP 44 THR 45 TYR 46 ASP 47 ASP 48 ALA 49 THR 50 LYS 51 THR 52 PHE 53 THR 54 VAL 55 THR 56 GLU 57 GLY 58 SER 59 PRO 60 GLY 61 PRO 62 VAL 63 LEU 64 PRO 65 LYS 66 ASN 67 ALA 68 LEU 69 MET 70 GLN 71 LEU 72 ASN 73 GLU 74 ILE 75 LYS 76 PRO 77 GLY 78 LEU 79 GLN 80 TYR 81 MET 82 LEU 83 LEU 84 SER 85 GLN 86 THR 87 GLY 88 PRO 89 VAL 90 HIS 91 ALA 92 PRO 93 LEU 94 PHE 95 VAL 96 MET 97 SER 98 VAL 99 GLU 100 VAL 101 ASN 102 GLY 103 GLN 104 VAL 105 PHE 106 GLU 107 GLY 108 SER 109 GLY 110 PRO 111 THR 112 LYS 113 LYS 114 LYS 115 ALA 116 LYS 117 LEU 118 HIS 119 ALA 120 ALA 121 GLU 122 LYS 123 ALA 124 LEU 125 ARG 126 SER 127 PHE 128 VAL 129 GLN 130 PHE 131 PRO 132 ASN 133 ALA 134 SER 135 GLU 136 ALA 137 HIS 138 LEU 139 ALA 140 MET 141 GLY 142 ARG 143 THR 144 LEU 145 SER 146 VAL 147 ASN 148 THR 149 ASP 150 PHE 151 THR 152 SER 153 ASP 154 GLN 155 ALA 156 ASP 157 PHE 158 PRO 159 ASP 160 THR 161 LEU 162 PHE 163 ASN 164 GLY 165 PHE 166 GLU 167 THR 168 PRO 169 ASP 170 LYS 171 SER 172 GLU 173 PRO 174 PRO 175 PHE 176 TYR 177 VAL 178 GLY 179 SER 180 ASN 181 GLY 182 ASP 183 ASP 184 SER 185 PHE 186 SER 187 SER 188 SER 189 GLY 190 ASP 191 VAL 192 SER 193 LEU 194 SER 195 ALA 196 SER 197 PRO 198 VAL 199 PRO 200 ALA 201 SER 202 LEU 203 THR 204 GLN 205 PRO 206 PRO 207 LEU 208 PRO 209 ILE 210 PRO 211 PRO 212 PRO 213 PHE 214 PRO 215 PRO 216 PRO 217 SER 218 GLY 219 LYS 220 ASN 221 PRO 222 VAL 223 MET 224 ILE 225 LEU 226 ASN 227 GLU 228 LEU 229 ARG 230 PRO 231 GLY 232 LEU 233 LYS 234 TYR 235 ASP 236 PHE 237 LEU 238 SER 239 GLU 240 SER 241 GLY 242 GLU 243 SER 244 HIS 245 ALA 246 LYS 247 SER 248 PHE 249 VAL 250 MET 251 SER 252 VAL 253 VAL 254 VAL 255 ASP 256 GLY 257 GLN 258 PHE 259 PHE 260 GLU 261 GLY 262 SER 263 GLY 264 ARG 265 ASN 266 LYS 267 LYS 268 LEU 269 ALA 270 LYS 271 ALA 272 ARG 273 ALA 274 ALA 275 GLN 276 SER 277 ALA 278 LEU 279 ALA 280 THR 281 VAL 282 PHE 283 ASN 284 LEU 285 HIS 286 LEU 287 LEU 288 GLU 289 HIS 290 HIS 291 HIS 292 HIS 293 HIS 294 HIS stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2015-01-28 loop_ _Database_name _Database_accession_code _Database_entry_mol_name _Sequence_query_to_submitted_percentage _Sequence_subject_length _Sequence_identity _Sequence_positive _Sequence_homology_expectation_value PDB 2L3J "The Solution Structure Of The Adar2 Dsrbm-Rna Complex Reveals A Sequence-Specific Read Out Of The Minor Groove" 80.27 236 100.00 100.00 4.35e-168 DBJ BAE23623 "unnamed protein product [Mus musculus]" 77.89 376 99.56 100.00 2.04e-159 DBJ BAE24831 "unnamed protein product [Mus musculus]" 77.89 711 99.56 100.00 4.26e-156 DBJ BAE27830 "unnamed protein product [Mus musculus]" 77.89 711 99.56 100.00 4.26e-156 GB AAA96755 "double-stranded RNA-specific editase [Rattus norvegicus]" 77.89 711 99.56 100.00 4.12e-156 GB AAB18134 "RNA adenosine deaminase [Homo sapiens]" 77.89 711 97.82 98.69 7.90e-153 GB AAI65982 "Adenosine deaminase, RNA-specific, B1 [synthetic construct]" 77.89 701 99.56 100.00 2.88e-156 GB AAK17102 "RNA adenosine deaminase 2 [Mus musculus]" 77.89 701 99.56 100.00 3.35e-156 GB AAL01301 "adenosine deaminase [Mus musculus]" 77.89 701 99.56 100.00 2.88e-156 PRF 2204394A "RNA-editing enzyme" 77.89 711 99.56 100.00 4.12e-156 REF NP_001020008 "double-stranded RNA-specific editase 1 isoform 2 [Mus musculus]" 77.89 711 99.56 100.00 4.26e-156 REF NP_001104525 "double-stranded RNA-specific editase 1 isoform 2 [Rattus norvegicus]" 77.89 701 99.56 100.00 3.28e-156 REF NP_001104526 "double-stranded RNA-specific editase 1 isoform 3 [Rattus norvegicus]" 77.89 687 99.56 100.00 4.83e-156 REF NP_001104527 "double-stranded RNA-specific editase 1 isoform 4 [Rattus norvegicus]" 77.89 677 99.56 100.00 2.79e-156 REF NP_037026 "double-stranded RNA-specific editase 1 isoform 1 [Rattus norvegicus]" 77.89 711 99.56 100.00 3.32e-156 SP P51400 "RecName: Full=Double-stranded RNA-specific editase 1; AltName: Full=RNA-editing deaminase 1; AltName: Full=RNA-editing enzyme 1" 77.89 711 99.56 100.00 4.12e-156 SP Q91ZS8 "RecName: Full=Double-stranded RNA-specific editase 1; AltName: Full=RNA-editing deaminase 1; AltName: Full=RNA-editing enzyme 1" 77.89 711 99.56 100.00 4.26e-156 stop_ save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species $dsRBD12 Rat 10116 Eukaryota Metazoa Rattus norvegicus stop_ save_ ######################### # Experimental source # ######################### save_experimental_source _Saveframe_category experimental_source loop_ _Mol_label _Production_method _Host_organism_name_common _Genus _Species _Strain _Vector_name $dsRBD12 'recombinant technology' . . . . . stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $dsRBD12 0.8 mM '[U-85% 2H; U-13C; U-15N]' stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _Field_strength 900 _Details . save_ save_NMR_spectrometer_2 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model DRX _Field_strength 750 _Details . save_ save_NMR_spectrometer_3 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model DRX _Field_strength 600 _Details . save_ save_NMR_spectrometer_4 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model DRX _Field_strength 500 _Details . save_ ############################# # NMR applied experiments # ############################# save_[1H,15N]-TROSY_1 _Saveframe_category NMR_applied_experiment _Experiment_name [1H,15N]-TROSY _Sample_label . save_ save_[1H,15N]-TROSY-HNCA_2 _Saveframe_category NMR_applied_experiment _Experiment_name [1H,15N]-TROSY-HNCA _Sample_label . save_ save_[1H,15N]-TROSY-HNCACB_3 _Saveframe_category NMR_applied_experiment _Experiment_name [1H,15N]-TROSY-HNCACB _Sample_label . save_ save_3D_NOESY-[1H,15N,1H]-TROSY_4 _Saveframe_category NMR_applied_experiment _Experiment_name '3D NOESY-[1H,15N,1H]-TROSY' _Sample_label . save_ save_[1H,15N]-HSQC_5 _Saveframe_category NMR_applied_experiment _Experiment_name [1H,15N]-HSQC _Sample_label . save_ save_[1H,13C]-HSQC_6 _Saveframe_category NMR_applied_experiment _Experiment_name [1H,13C]-HSQC _Sample_label . save_ save_TOCSY_7 _Saveframe_category NMR_applied_experiment _Experiment_name TOCSY _Sample_label . save_ save_2D_[1H,1H]-NOESY_8 _Saveframe_category NMR_applied_experiment _Experiment_name '2D [1H,1H]-NOESY' _Sample_label . save_ save_3D_[1H,15N,1H]-NOESY_9 _Saveframe_category NMR_applied_experiment _Experiment_name '3D [1H,15N,1H]-NOESY' _Sample_label . save_ save_3D_[1H,13C,1H]-NOESY_10 _Saveframe_category NMR_applied_experiment _Experiment_name '3D [1H,13C,1H]-NOESY' _Sample_label . save_ save_3D_HNCA_11 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCA' _Sample_label . save_ save_3D_CBCA(CO)NH_12 _Saveframe_category NMR_applied_experiment _Experiment_name '3D CBCA(CO)NH' _Sample_label . save_ save_NMR_spec_expt__0_1 _Saveframe_category NMR_applied_experiment _Experiment_name [1H,15N]-TROSY _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_2 _Saveframe_category NMR_applied_experiment _Experiment_name [1H,15N]-TROSY-HNCA _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_3 _Saveframe_category NMR_applied_experiment _Experiment_name [1H,15N]-TROSY-HNCACB _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_4 _Saveframe_category NMR_applied_experiment _Experiment_name '3D NOESY-[1H,15N,1H]-TROSY' _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_5 _Saveframe_category NMR_applied_experiment _Experiment_name [1H,15N]-HSQC _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_6 _Saveframe_category NMR_applied_experiment _Experiment_name [1H,13C]-HSQC _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_7 _Saveframe_category NMR_applied_experiment _Experiment_name TOCSY _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_8 _Saveframe_category NMR_applied_experiment _Experiment_name '2D [1H,1H]-NOESY' _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_9 _Saveframe_category NMR_applied_experiment _Experiment_name '3D [1H,15N,1H]-NOESY' _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_10 _Saveframe_category NMR_applied_experiment _Experiment_name '3D [1H,13C,1H]-NOESY' _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_11 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCA' _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_12 _Saveframe_category NMR_applied_experiment _Experiment_name '3D CBCA(CO)NH' _BMRB_pulse_sequence_accession_number . _Details . save_ ####################### # Sample conditions # ####################### save_ex-cond_1 _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units pH 8.0 0.2 n/a temperature 293 0.5 K stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference _Saveframe_category chemical_shift_reference _Details . loop_ _Mol_common_name _Atom_type _Atom_isotope_number _Atom_group _Chem_shift_units _Chem_shift_value _Reference_method _Reference_type _External_reference_sample_geometry _External_reference_location _External_reference_axis _Indirect_shift_ratio DSS C 13 'methyl protons' ppm 0.0 . indirect . . . 0.251449530 DSS H 1 'methyl protons' ppm 0.0 . direct . . . 1.0 DSS N 15 'methyl protons' ppm 0.0 . indirect . . . 0.101329118 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_shift_set_1 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Sample_label $sample_1 stop_ _Sample_conditions_label $ex-cond_1 _Chem_shift_reference_set_label $chemical_shift_reference _Mol_system_component_name 'dsRBD12 of ADAR2' _Text_data_format . _Text_data . loop_ _Atom_shift_assign_ID _Residue_author_seq_code _Residue_seq_code _Residue_label _Atom_name _Atom_type _Chem_shift_value _Chem_shift_value_error _Chem_shift_ambiguity_code 1 . 1 MET CA C 54.4 . 1 2 . 2 GLN H H 8.08 . 1 3 . 2 GLN N N 123.10 . 1 4 . 2 GLN CA C 55.4 . 1 5 . 2 GLN HA H 4.85 . 1 6 . 2 GLN CB C 29.8 . 1 7 . 2 GLN HB2 H 1.846 . 2 8 . 2 GLN HB3 H 1.907 . 2 9 . 2 GLN CG C 35.66 . 1 10 . 2 GLN HG2 H 2.001 . 2 11 . 2 GLN HG3 H 2.232 . 2 12 . 2 GLN NE2 N 111.9 . 1 13 . 2 GLN HE21 H 6.674 . 2 14 . 2 GLN HE22 H 7.568 . 2 15 . 3 TYR H H 8.89 . 1 16 . 3 TYR N N 124.60 . 1 17 . 3 TYR CA C 56.7 . 1 18 . 3 TYR HA H 5.222 . 1 19 . 3 TYR CB C 42.5 . 1 20 . 3 TYR HB2 H 2.612 . 2 21 . 3 TYR HB3 H 3.255 . 2 22 . 3 TYR HD1 H 7.01 . 1 23 . 3 TYR HD2 H 7.01 . 1 24 . 3 TYR HE1 H 6.779 . 1 25 . 3 TYR HE2 H 6.779 . 1 26 . 4 LYS H H 8.87 . 1 27 . 4 LYS N N 122.30 . 1 28 . 4 LYS CA C 54.6 . 1 29 . 4 LYS HA H 5.101 . 1 30 . 4 LYS CB C 34.9 . 1 31 . 4 LYS HB2 H 1.755 . 2 32 . 4 LYS HB3 H 1.87 . 2 33 . 4 LYS CG C 26.32 . 1 34 . 4 LYS HG2 H 1.225 . 2 35 . 4 LYS HG3 H 1.338 . 2 36 . 4 LYS CD C 29.84 . 1 37 . 4 LYS HD2 H 1.497 . 1 38 . 4 LYS HD3 H 1.497 . 1 39 . 4 LYS CE C 42.94 . 1 40 . 4 LYS HE2 H 2.659 . 2 41 . 4 LYS HE3 H 2.735 . 2 42 . 5 LEU H H 8.37 . 1 43 . 5 LEU N N 126.40 . 1 44 . 5 LEU CA C 52.2 . 1 45 . 5 LEU HA H 4.82 . 1 46 . 5 LEU CB C 41.4 . 1 47 . 5 LEU HB2 H -1.21 . 2 48 . 5 LEU HB3 H 0.6353 . 2 49 . 5 LEU CG C 27.89 . 1 50 . 5 LEU CD1 C 25.61 . 1 51 . 5 LEU HD1 H 0.385 . 2 52 . 5 LEU CD2 C 26.82 . 1 53 . 5 LEU HD2 H 0.429 . 2 54 . 5 LEU HG H 0.741 . 1 55 . 6 ILE H H 8.86 . 1 56 . 6 ILE N N 126.30 . 1 57 . 6 ILE CA C 59.8 . 1 58 . 6 ILE HA H 4.211 . 1 59 . 6 ILE CB C 37.3 . 1 60 . 6 ILE HB H 1.814 . 1 61 . 6 ILE CG2 C 18.1 . 1 62 . 6 ILE HG2 H 0.658 . 1 63 . 6 ILE CG1 C 28.22 . 1 64 . 6 ILE HG12 H 1.272 . 2 65 . 6 ILE HG13 H 0.955 . 2 66 . 6 ILE CD1 C 13.58 . 1 67 . 6 ILE HD1 H 0.6397 . 1 68 . 7 LEU H H 8.47 . 1 69 . 7 LEU N N 125.50 . 1 70 . 7 LEU CA C 53.9 . 1 71 . 7 LEU HA H 4.35 . 1 72 . 7 LEU CB C 41 . 1 73 . 7 LEU HB2 H 1.224 . 2 74 . 7 LEU HB3 H 1.312 . 2 75 . 7 LEU CG C 28.24 . 1 76 . 7 LEU CD1 C 26.66 . 1 77 . 7 LEU HD1 H 0.6123 . 1 78 . 7 LEU CD2 C 26.66 . 1 79 . 7 LEU HD2 H 0.6123 . 1 80 . 7 LEU HG H 1.17 . 1 81 . 8 ASN H H 8.62 . 1 82 . 8 ASN N N 125.50 . 1 83 . 8 ASN CA C 50.8 . 1 84 . 8 ASN HA H 5.09 . 1 85 . 8 ASN CB C 37.6 . 1 86 . 8 ASN HB2 H 2.404 . 2 87 . 8 ASN HB3 H 2.822 . 2 88 . 8 ASN ND2 N 111.1 . 1 89 . 8 ASN HD22 H 6.901 . 1 90 . 9 GLY H H 7.70 . 1 91 . 9 GLY N N 110.00 . 1 92 . 9 GLY CA C 44.2 . 1 93 . 9 GLY HA2 H 4.337 . 2 94 . 9 GLY HA3 H 3.903 . 2 95 . 10 LYS H H 9.02 . 1 96 . 10 LYS N N 121.20 . 1 97 . 10 LYS CA C 58.5 . 1 98 . 10 LYS HA H 3.931 . 1 99 . 10 LYS CB C 31.6 . 1 100 . 10 LYS HB2 H 1.682 . 1 101 . 10 LYS HB3 H 1.682 . 1 102 . 10 LYS CG C 26.14 . 1 103 . 10 LYS HG2 H 1.284 . 2 104 . 10 LYS HG3 H 1.323 . 2 105 . 10 LYS CD C 29.84 . 1 106 . 10 LYS HD2 H 1.543 . 1 107 . 10 LYS HD3 H 1.543 . 1 108 . 10 LYS CE C 42.78 . 1 109 . 10 LYS HE2 H 2.825 . 1 110 . 10 LYS HE3 H 2.825 . 1 111 . 11 THR H H 8.59 . 1 112 . 11 THR N N 109.00 . 1 113 . 11 THR CA C 61.6 . 1 114 . 11 THR HA H 4.222 . 1 115 . 11 THR CB C 69.2 . 1 116 . 11 THR HB H 4.105 . 1 117 . 11 THR CG2 C 22.79 . 1 118 . 11 THR HG2 H 1.016 . 1 119 . 12 LEU H H 7.11 . 1 120 . 12 LEU N N 125.10 . 1 121 . 12 LEU CA C 54.7 . 1 122 . 12 LEU HA H 4.302 . 1 123 . 12 LEU CB C 42.6 . 1 124 . 12 LEU HB2 H 1.314 . 2 125 . 12 LEU HB3 H 1.397 . 2 126 . 12 LEU CG C 28.25 . 1 127 . 12 LEU CD1 C 26.21 . 1 128 . 12 LEU HD1 H 0.6567 . 2 129 . 12 LEU CD2 C 25.1 . 1 130 . 12 LEU HD2 H 0.745 . 2 131 . 12 LEU HG H 1.283 . 1 132 . 13 LYS H H 7.91 . 1 133 . 13 LYS N N 123.90 . 1 134 . 13 LYS CA C 53.5 . 1 135 . 13 LYS HA H 4.96 . 1 136 . 13 LYS CB C 33.8 . 1 137 . 13 LYS HB2 H 1.599 . 2 138 . 13 LYS HB3 H 1.761 . 2 139 . 13 LYS CG C 26.11 . 1 140 . 13 LYS HG2 H 1.332 . 1 141 . 13 LYS HG3 H 1.332 . 1 142 . 13 LYS CD C 30.01 . 1 143 . 13 LYS HD2 H 1.58 . 1 144 . 13 LYS HD3 H 1.58 . 1 145 . 13 LYS CE C 43.31 . 1 146 . 13 LYS HE2 H 2.824 . 2 147 . 13 LYS HE3 H 2.883 . 2 148 . 14 GLY H H 8.17 . 1 149 . 14 GLY N N 109.50 . 1 150 . 14 GLY CA C 44.6 . 1 151 . 14 GLY HA2 H 4.116 . 2 152 . 14 GLY HA3 H 4.025 . 2 153 . 15 GLU H H 8.18 . 1 154 . 15 GLU N N 118.90 . 1 155 . 15 GLU CA C 54.2 . 1 156 . 15 GLU HA H 5.46 . 1 157 . 15 GLU CB C 32.8 . 1 158 . 15 GLU HB2 H 1.789 . 2 159 . 15 GLU HB3 H 1.878 . 2 160 . 15 GLU CG C 36.51 . 1 161 . 15 GLU HG2 H 2.013 . 1 162 . 15 GLU HG3 H 2.013 . 1 163 . 16 THR H H 8.53 . 1 164 . 16 THR N N 116.10 . 1 165 . 16 THR CA C 60.1 . 1 166 . 16 THR HA H 4.59 . 1 167 . 16 THR CB C 68.8 . 1 168 . 16 THR HB H 3.768 . 1 169 . 16 THR CG2 C 19.94 . 1 170 . 16 THR HG2 H 0.3263 . 1 171 . 17 THR H H 7.85 . 1 172 . 17 THR N N 112.00 . 1 173 . 17 THR CA C 59.5 . 1 174 . 17 THR HA H 5.668 . 1 175 . 17 THR CB C 72.7 . 1 176 . 17 THR HB H 4.157 . 1 177 . 17 THR CG2 C 22.67 . 1 178 . 17 THR HG2 H 1.061 . 1 179 . 18 THR H H 8.75 . 1 180 . 18 THR N N 114.70 . 1 181 . 18 THR CA C 61.9 . 1 182 . 18 THR HA H 4.546 . 1 183 . 18 THR CB C 69.4 . 1 184 . 18 THR HB H 3.728 . 1 185 . 18 THR CG2 C 19.85 . 1 186 . 18 THR HG2 H 0.371 . 1 187 . 19 GLU H H 7.74 . 1 188 . 19 GLU N N 126.00 . 1 189 . 19 GLU CA C 54 . 1 190 . 19 GLU HA H 5.033 . 1 191 . 19 GLU CB C 29.3 . 1 192 . 19 GLU HB2 H 1.812 . 1 193 . 19 GLU HB3 H 1.812 . 1 194 . 19 GLU CG C 36.61 . 1 195 . 19 GLU HG2 H 1.94 . 2 196 . 19 GLU HG3 H 2.144 . 2 197 . 20 ALA H H 9.12 . 1 198 . 20 ALA N N 127.30 . 1 199 . 20 ALA CA C 50.4 . 1 200 . 20 ALA HA H 4.772 . 1 201 . 20 ALA CB C 22.8 . 1 202 . 20 ALA HB H 1.194 . 1 203 . 21 VAL H H 8.25 . 1 204 . 21 VAL N N 115.60 . 1 205 . 21 VAL CA C 62.9 . 1 206 . 21 VAL HA H 3.991 . 1 207 . 21 VAL HB H 2.067 . 1 208 . 21 VAL CG1 C 20.88 . 1 209 . 21 VAL HG1 H 0.876 . 2 210 . 21 VAL CG2 C 21.86 . 1 211 . 21 VAL HG2 H 0.879 . 2 212 . 22 ASP H H 7.07 . 1 213 . 22 ASP N N 115.10 . 1 214 . 22 ASP CA C 52.1 . 1 215 . 22 ASP HA H 4.628 . 1 216 . 22 ASP CB C 41.4 . 1 217 . 23 ALA H H 8.09 . 1 218 . 23 ALA N N 121.40 . 1 219 . 23 ALA CA C 54 . 1 220 . 23 ALA HA H 3.202 . 1 221 . 23 ALA HB H 1.054 . 1 222 . 24 ALA H H 7.84 . 1 223 . 24 ALA N N 120.60 . 1 224 . 24 ALA CA C 54.2 . 1 225 . 24 ALA HA H 3.83 . 1 226 . 24 ALA HB H 1.167 . 1 227 . 25 THR H H 8.04 . 1 228 . 25 THR N N 116.60 . 1 229 . 25 THR CA C 66.3 . 1 230 . 25 THR HA H 3.569 . 1 231 . 25 THR CB C 67.3 . 1 232 . 25 THR HB H 3.886 . 1 233 . 25 THR CG2 C 22.19 . 1 234 . 25 THR HG2 H 1.088 . 1 235 . 26 ALA H H 6.90 . 1 236 . 26 ALA N N 123.70 . 1 237 . 26 ALA CA C 54.3 . 1 238 . 26 ALA HA H 2.952 . 1 239 . 26 ALA HB H 0.388 . 1 240 . 27 GLU H H 8.10 . 1 241 . 27 GLU N N 116.70 . 1 242 . 27 GLU CA C 59.1 . 1 243 . 27 GLU HA H 2.542 . 1 244 . 27 GLU CB C 28.4 . 1 245 . 27 GLU HB2 H 1.706 . 1 246 . 27 GLU HB3 H 1.706 . 1 247 . 27 GLU CG C 36.63 . 1 248 . 27 GLU HG2 H 1.489 . 1 249 . 27 GLU HG3 H 1.489 . 1 250 . 28 LYS H H 6.70 . 1 251 . 28 LYS N N 116.60 . 1 252 . 28 LYS CA C 59.1 . 1 253 . 28 LYS HA H 3.591 . 1 254 . 28 LYS CB C 31.2 . 1 255 . 28 LYS HB2 H 1.705 . 1 256 . 28 LYS HB3 H 1.705 . 1 257 . 28 LYS CG C 25.99 . 1 258 . 28 LYS HG2 H 1.199 . 2 259 . 28 LYS HG3 H 1.405 . 2 260 . 28 LYS CD C 30.23 . 1 261 . 28 LYS HD2 H 1.487 . 1 262 . 28 LYS HD3 H 1.487 . 1 263 . 28 LYS CE C 42.96 . 1 264 . 28 LYS HE2 H 2.767 . 1 265 . 28 LYS HE3 H 2.767 . 1 266 . 29 VAL H H 7.06 . 1 267 . 29 VAL N N 120.70 . 1 268 . 29 VAL CA C 65.4 . 1 269 . 29 VAL HA H 3.49 . 1 270 . 29 VAL CB C 31.1 . 1 271 . 29 VAL HB H 1.624 . 1 272 . 29 VAL CG1 C 21.35 . 1 273 . 29 VAL HG1 H 0.664 . 2 274 . 29 VAL CG2 C 22.74 . 1 275 . 29 VAL HG2 H 0.769 . 2 276 . 30 PHE H H 8.27 . 1 277 . 30 PHE N N 120.70 . 1 278 . 30 PHE CA C 56 . 1 279 . 30 PHE HA H 4.649 . 1 280 . 30 PHE CB C 36.7 . 1 281 . 30 PHE HB2 H 2.716 . 2 282 . 30 PHE HB3 H 3.202 . 2 283 . 30 PHE HD1 H 6.389 . 1 284 . 30 PHE HD2 H 6.389 . 1 285 . 30 PHE HE1 H 6.932 . 1 286 . 30 PHE HE2 H 6.932 . 1 287 . 30 PHE HZ H 7.045 . 1 288 . 31 LYS H H 8.86 . 1 289 . 31 LYS N N 122.90 . 1 290 . 31 LYS CA C 59.3 . 1 291 . 31 LYS HA H 4.03 . 1 292 . 31 LYS CB C 30.5 . 1 293 . 31 LYS HB2 H 1.438 . 2 294 . 31 LYS HB3 H 1.543 . 2 295 . 31 LYS CG C 26.82 . 1 296 . 31 LYS HG2 H 0.4005 . 2 297 . 31 LYS HG3 H 0.724 . 2 298 . 31 LYS CD C 29.91 . 1 299 . 31 LYS HD2 H 0.939 . 2 300 . 31 LYS HD3 H 1.005 . 2 301 . 31 LYS CE C 42.23 . 1 302 . 31 LYS HE2 H 1.824 . 2 303 . 31 LYS HE3 H 1.613 . 2 304 . 32 GLN H H 7.21 . 1 305 . 32 GLN N N 119.80 . 1 306 . 32 GLN CA C 58.1 . 1 307 . 32 GLN HA H 3.922 . 1 308 . 32 GLN CB C 27.1 . 1 309 . 32 GLN HB2 H 2.079 . 2 310 . 32 GLN HB3 H 2.12 . 2 311 . 32 GLN CG C 34.38 . 1 312 . 32 GLN HG2 H 2.283 . 2 313 . 32 GLN HG3 H 2.327 . 2 314 . 32 GLN NE2 N 114.5 . 1 315 . 32 GLN HE21 H 6.656 . 2 316 . 32 GLN HE22 H 7.697 . 2 317 . 33 TYR H H 8.01 . 1 318 . 33 TYR N N 121.10 . 1 319 . 33 TYR CA C 61.3 . 1 320 . 33 TYR HA H 4.124 . 1 321 . 33 TYR CB C 37.8 . 1 322 . 33 TYR HB2 H 3.176 . 1 323 . 33 TYR HB3 H 3.176 . 1 324 . 33 TYR HD1 H 6.851 . 1 325 . 33 TYR HD2 H 6.851 . 1 326 . 33 TYR HE1 H 6.59 . 1 327 . 33 TYR HE2 H 6.59 . 1 328 . 34 ALA H H 8.95 . 1 329 . 34 ALA N N 122.60 . 1 330 . 34 ALA CA C 55.7 . 1 331 . 34 ALA HA H 3.671 . 1 332 . 34 ALA HB H 1.705 . 1 333 . 35 ASN H H 8.00 . 1 334 . 35 ASN N N 117.60 . 1 335 . 35 ASN CA C 56.5 . 1 336 . 35 ASN HA H 4.308 . 1 337 . 35 ASN CB C 38.3 . 1 338 . 35 ASN HB2 H 2.83 . 1 339 . 35 ASN HB3 H 2.83 . 1 340 . 35 ASN ND2 N 111.9 . 1 341 . 35 ASN HD21 H 6.753 . 2 342 . 35 ASN HD22 H 7.407 . 2 343 . 36 ASP H H 8.71 . 1 344 . 36 ASP N N 121.40 . 1 345 . 36 ASP CA C 56.4 . 1 346 . 36 ASP HA H 4.247 . 1 347 . 36 ASP CB C 39.1 . 1 348 . 36 ASP HB2 H 2.598 . 1 349 . 36 ASP HB3 H 2.598 . 1 350 . 37 ASN H H 7.15 . 1 351 . 37 ASN N N 115.30 . 1 352 . 37 ASN CA C 53.3 . 1 353 . 37 ASN HA H 4.456 . 1 354 . 37 ASN CB C 39.3 . 1 355 . 37 ASN HB2 H 1.989 . 2 356 . 37 ASN HB3 H 2.565 . 2 357 . 37 ASN ND2 N 114.4 . 1 358 . 37 ASN HD21 H 6.032 . 2 359 . 37 ASN HD22 H 6.462 . 2 360 . 38 GLY H H 7.54 . 1 361 . 38 GLY N N 108.30 . 1 362 . 38 GLY CA C 46.4 . 1 363 . 38 GLY HA2 H 3.805 . 2 364 . 38 GLY HA3 H 3.757 . 2 365 . 39 VAL H H 7.89 . 1 366 . 39 VAL N N 121.00 . 1 367 . 39 VAL CA C 61.4 . 1 368 . 39 VAL HA H 4.011 . 1 369 . 39 VAL CB C 32.1 . 1 370 . 39 VAL HB H 1.625 . 1 371 . 39 VAL CG1 C 22.47 . 1 372 . 39 VAL HG1 H 0.5253 . 2 373 . 39 VAL CG2 C 22.57 . 1 374 . 39 VAL HG2 H 0.6897 . 2 375 . 40 ASP H H 8.29 . 1 376 . 40 ASP N N 127.60 . 1 377 . 40 ASP CA C 52 . 1 378 . 40 ASP HA H 4.741 . 1 379 . 40 ASP CB C 42.5 . 1 380 . 40 ASP HB2 H 2.494 . 2 381 . 40 ASP HB3 H 2.559 . 2 382 . 41 GLY H H 7.68 . 1 383 . 41 GLY N N 107.50 . 1 384 . 41 GLY CA C 44.9 . 1 385 . 41 GLY HA2 H 4.026 . 2 386 . 41 GLY HA3 H 3.693 . 2 387 . 42 GLU H H 7.79 . 1 388 . 42 GLU N N 120.60 . 1 389 . 42 GLU CA C 55 . 1 390 . 42 GLU HA H 4.568 . 1 391 . 42 GLU CB C 30.5 . 1 392 . 42 GLU HB2 H 1.811 . 2 393 . 42 GLU HB3 H 1.926 . 2 394 . 42 GLU CG C 37.18 . 1 395 . 42 GLU HG2 H 2.122 . 2 396 . 42 GLU HG3 H 2.218 . 2 397 . 43 TRP H H 9.11 . 1 398 . 43 TRP N N 128.10 . 1 399 . 43 TRP CA C 57.4 . 1 400 . 43 TRP HA H 5.211 . 1 401 . 43 TRP CB C 30.3 . 1 402 . 43 TRP HB2 H 3.022 . 2 403 . 43 TRP HB3 H 3.225 . 2 404 . 43 TRP HE1 H 10.3 . 1 405 . 43 TRP HE3 H 7.472 . 1 406 . 44 THR H H 9.05 . 1 407 . 44 THR N N 114.70 . 1 408 . 44 THR CA C 59.6 . 1 409 . 44 THR HA H 4.694 . 1 410 . 44 THR CB C 71.5 . 1 411 . 44 THR HB H 4.086 . 1 412 . 44 THR CG2 C 22.66 . 1 413 . 44 THR HG2 H 1.053 . 1 414 . 45 TYR H H 8.35 . 1 415 . 45 TYR N N 120.60 . 1 416 . 45 TYR CA C 56.5 . 1 417 . 45 TYR HA H 4.834 . 1 418 . 45 TYR CB C 40.6 . 1 419 . 45 TYR HB2 H 2.387 . 2 420 . 45 TYR HB3 H 2.746 . 2 421 . 45 TYR HD1 H 5.775 . 1 422 . 45 TYR HD2 H 5.775 . 1 423 . 45 TYR HE1 H 6.23 . 1 424 . 45 TYR HE2 H 6.23 . 1 425 . 46 ASP H H 7.39 . 1 426 . 46 ASP N N 128.50 . 1 427 . 46 ASP CA C 51.4 . 1 428 . 46 ASP HA H 4.432 . 1 429 . 46 ASP CB C 42.3 . 1 430 . 46 ASP HB2 H 2.145 . 2 431 . 46 ASP HB3 H 2.468 . 2 432 . 47 ASP H H 8.34 . 1 433 . 47 ASP N N 125.00 . 1 434 . 47 ASP CA C 55.8 . 1 435 . 47 ASP HA H 4.022 . 1 436 . 47 ASP CB C 41.3 . 1 437 . 47 ASP HB2 H 2.397 . 2 438 . 47 ASP HB3 H 2.692 . 2 439 . 48 ALA H H 8.11 . 1 440 . 48 ALA N N 119.90 . 1 441 . 48 ALA CA C 54.5 . 1 442 . 48 ALA HA H 4 . 1 443 . 48 ALA HB H 1.384 . 1 444 . 49 THR H H 6.77 . 1 445 . 49 THR N N 103.40 . 1 446 . 49 THR CA C 60 . 1 447 . 49 THR HA H 4.252 . 1 448 . 49 THR CB C 69.4 . 1 449 . 49 THR HB H 4.266 . 1 450 . 49 THR CG2 C 22.23 . 1 451 . 49 THR HG2 H 0.954 . 1 452 . 50 LYS H H 7.62 . 1 453 . 50 LYS N N 123.50 . 1 454 . 50 LYS CA C 56 . 1 455 . 50 LYS HA H 4.031 . 1 456 . 50 LYS CB C 28.5 . 1 457 . 50 LYS HB2 H 1.86 . 2 458 . 50 LYS HB3 H 1.958 . 2 459 . 50 LYS CG C 25.47 . 1 460 . 50 LYS HG2 H 1.084 . 2 461 . 50 LYS HG3 H 1.249 . 2 462 . 50 LYS CD C 29.39 . 1 463 . 50 LYS HD2 H 1.299 . 2 464 . 50 LYS HD3 H 1.559 . 2 465 . 50 LYS CE C 43.7 . 1 466 . 50 LYS HE2 H 2.836 . 2 467 . 50 LYS HE3 H 2.969 . 2 468 . 51 THR H H 7.13 . 1 469 . 51 THR N N 111.10 . 1 470 . 51 THR CA C 61.8 . 1 471 . 51 THR HA H 5.34 . 1 472 . 51 THR CB C 71.3 . 1 473 . 51 THR HB H 3.628 . 1 474 . 51 THR CG2 C 21.89 . 1 475 . 51 THR HG2 H 0.874 . 1 476 . 52 PHE H H 10.17 . 1 477 . 52 PHE N N 131.00 . 1 478 . 52 PHE CA C 56.7 . 1 479 . 52 PHE HA H 5.54 . 1 480 . 52 PHE CB C 41.7 . 1 481 . 52 PHE HB2 H 3.06 . 2 482 . 52 PHE HB3 H 3.155 . 2 483 . 52 PHE HD1 H 7.649 . 1 484 . 52 PHE HD2 H 7.649 . 1 485 . 52 PHE HE1 H 7.01 . 1 486 . 52 PHE HE2 H 7.01 . 1 487 . 52 PHE HZ H 6.849 . 1 488 . 53 THR H H 8.88 . 1 489 . 53 THR N N 117.00 . 1 490 . 53 THR CA C 61 . 1 491 . 53 THR HA H 5.061 . 1 492 . 53 THR CB C 70.4 . 1 493 . 53 THR HB H 3.694 . 1 494 . 53 THR CG2 C 21.66 . 1 495 . 53 THR HG2 H 0.8313 . 1 496 . 54 VAL H H 7.97 . 1 497 . 54 VAL N N 123.20 . 1 498 . 54 VAL CA C 57.4 . 1 499 . 54 VAL HA H 4.362 . 1 500 . 54 VAL CB C 31 . 1 501 . 54 VAL HB H -0.257 . 1 502 . 54 VAL CG1 C 21.42 . 1 503 . 54 VAL HG1 H -0.5207 . 2 504 . 54 VAL CG2 C 20.59 . 1 505 . 54 VAL HG2 H 0.22 . 2 506 . 55 THR H H 8.12 . 1 507 . 55 THR N N 123.30 . 1 508 . 55 THR CA C 60.4 . 1 509 . 55 THR HA H 4.59 . 1 510 . 55 THR CB C 69.7 . 1 511 . 55 THR HB H 3.741 . 1 512 . 55 THR CG2 C 22.12 . 1 513 . 55 THR HG2 H 1.03 . 1 514 . 56 GLU H H 7.90 . 1 515 . 56 GLU N N 128.80 . 1 516 . 56 GLU CA C 55.8 . 1 517 . 56 GLU HA H 4.34 . 1 518 . 56 GLU CB C 30.8 . 1 519 . 56 GLU HB2 H 1.917 . 2 520 . 56 GLU HB3 H 2.026 . 2 521 . 56 GLU CG C 36.99 . 1 522 . 56 GLU HG2 H 2.295 . 2 523 . 56 GLU HG3 H 2.344 . 2 524 . 57 GLY H H 8.51 . 1 525 . 57 GLY N N 112.60 . 1 526 . 57 GLY CA C 44.4 . 1 527 . 57 GLY HA2 H 3.964 . 2 528 . 57 GLY HA3 H 3.849 . 2 529 . 59 PRO CA C 62.75 . 1 530 . 59 PRO CB C 32.3 . 1 531 . 60 GLY H H 8.02 . 1 532 . 60 GLY N N 109.20 . 1 533 . 60 GLY CA C 43.8 . 1 534 . 61 PRO CA C 62.3 . 1 535 . 61 PRO CB C 31.1 . 1 536 . 62 VAL H H 8.05 . 1 537 . 62 VAL N N 121.10 . 1 538 . 62 VAL CA C 61.8 . 1 539 . 62 VAL HA H 3.785 . 1 540 . 62 VAL CB C 31.5 . 1 541 . 63 LEU H H 8.14 . 1 542 . 63 LEU N N 128.50 . 1 543 . 63 LEU CA C 52.2 . 1 544 . 63 LEU HA H 4.385 . 1 545 . 63 LEU CB C 40.6 . 1 546 . 63 LEU HB2 H 1.27 . 2 547 . 63 LEU HB3 H 1.322 . 2 548 . 66 ASN CA C 51.6 . 1 549 . 66 ASN HA H 4.399 . 1 550 . 66 ASN CB C 38.5 . 1 551 . 66 ASN HB2 H 2.698 . 2 552 . 66 ASN HB3 H 2.857 . 2 553 . 66 ASN ND2 N 114.0 . 1 554 . 66 ASN HD21 H 6.94 . 2 555 . 66 ASN HD22 H 7.623 . 2 556 . 67 ALA H H 8.55 . 1 557 . 67 ALA N N 120.00 . 1 558 . 67 ALA CA C 54.9 . 1 559 . 67 ALA HA H 3.714 . 1 560 . 67 ALA CB C 19.1 . 1 561 . 67 ALA HB H 1.147 . 1 562 . 68 LEU H H 6.86 . 1 563 . 68 LEU N N 116.70 . 1 564 . 68 LEU CA C 57.6 . 1 565 . 68 LEU HA H 3.617 . 1 566 . 68 LEU CB C 41 . 1 567 . 68 LEU HB2 H 1.305 . 2 568 . 68 LEU HB3 H 1.365 . 2 569 . 68 LEU CG C 26.66 . 1 570 . 68 LEU CD1 C 24.15 . 1 571 . 68 LEU HD1 H 0.3894 . 2 572 . 68 LEU CD2 C 24.98 . 1 573 . 68 LEU HD2 H 0.4307 . 2 574 . 68 LEU HG H 1.188 . 1 575 . 69 MET H H 7.60 . 1 576 . 69 MET N N 118.50 . 1 577 . 69 MET CA C 57.6 . 1 578 . 69 MET HA H 3.885 . 1 579 . 69 MET CB C 31.6 . 1 580 . 69 MET HB2 H 1.793 . 2 581 . 69 MET HB3 H 1.865 . 2 582 . 69 MET CG C 31.74 . 1 583 . 69 MET HG2 H 2.307 . 2 584 . 69 MET HG3 H 2.455 . 2 585 . 69 MET CE C 16.88 . 1 586 . 69 MET HE H 1.87 . 1 587 . 70 GLN H H 8.19 . 1 588 . 70 GLN N N 118.40 . 1 589 . 70 GLN CA C 58.8 . 1 590 . 70 GLN HA H 3.727 . 1 591 . 70 GLN CB C 28.5 . 1 592 . 70 GLN HB2 H 1.729 . 1 593 . 70 GLN HB3 H 1.729 . 1 594 . 70 GLN CG C 33.93 . 1 595 . 70 GLN HG2 H 1.934 . 2 596 . 70 GLN HG3 H 2.046 . 2 597 . 70 GLN NE2 N 110.8 . 1 598 . 70 GLN HE21 H 6.552 . 2 599 . 70 GLN HE22 H 6.897 . 2 600 . 71 LEU H H 8.25 . 1 601 . 71 LEU N N 119.90 . 1 602 . 71 LEU CA C 57.3 . 1 603 . 71 LEU HA H 3.789 . 1 604 . 71 LEU CB C 40.2 . 1 605 . 71 LEU HB2 H 1.243 . 2 606 . 71 LEU HB3 H 1.745 . 2 607 . 71 LEU CG C 26.48 . 1 608 . 71 LEU CD1 C 24.73 . 1 609 . 71 LEU HD1 H 0.5726 . 2 610 . 71 LEU CD2 C 26.07 . 1 611 . 71 LEU HD2 H 0.6673 . 2 612 . 71 LEU HG H 1.422 . 1 613 . 72 ASN H H 7.61 . 1 614 . 72 ASN N N 115.80 . 1 615 . 72 ASN CA C 54.9 . 1 616 . 72 ASN HA H 4.198 . 1 617 . 72 ASN CB C 38 . 1 618 . 72 ASN HB2 H 2.603 . 1 619 . 72 ASN HB3 H 2.603 . 1 620 . 72 ASN ND2 N 114.9 . 1 621 . 72 ASN HD21 H 6.729 . 2 622 . 72 ASN HD22 H 7.563 . 2 623 . 73 GLU H H 7.10 . 1 624 . 73 GLU N N 115.60 . 1 625 . 73 GLU CA C 57.8 . 1 626 . 73 GLU HA H 3.794 . 1 627 . 73 GLU CB C 28.9 . 1 628 . 73 GLU HB2 H 1.812 . 2 629 . 73 GLU HB3 H 1.877 . 2 630 . 73 GLU CG C 36.09 . 1 631 . 73 GLU HG2 H 1.973 . 2 632 . 73 GLU HG3 H 2.228 . 2 633 . 74 ILE H H 6.97 . 1 634 . 74 ILE N N 116.60 . 1 635 . 74 ILE CA C 62.8 . 1 636 . 74 ILE HA H 3.728 . 1 637 . 74 ILE CB C 38.6 . 1 638 . 74 ILE HB H 1.457 . 1 639 . 74 ILE CG2 C 17.13 . 1 640 . 74 ILE HG2 H 0.4696 . 1 641 . 74 ILE CG1 C 27.37 . 1 642 . 74 ILE HG12 H 0.7983 . 2 643 . 74 ILE HG13 H 1.328 . 2 644 . 74 ILE CD1 C 13.16 . 1 645 . 74 ILE HD1 H 0.3085 . 1 646 . 75 LYS H H 8.17 . 1 647 . 75 LYS N N 120.80 . 1 648 . 75 LYS CA C 51.3 . 1 649 . 75 LYS HA H 4.504 . 1 650 . 75 LYS CB C 32.4 . 1 651 . 75 LYS HB2 H 1.461 . 2 652 . 75 LYS HB3 H 1.618 . 2 653 . 75 LYS CG C 24.23 . 1 654 . 75 LYS HG2 H 1.095 . 1 655 . 75 LYS HG3 H 1.095 . 1 656 . 75 LYS HE2 H 2.648 . 1 657 . 75 LYS HE3 H 2.648 . 1 658 . 76 PRO CA C 62.7 . 1 659 . 76 PRO HA H 4.367 . 1 660 . 76 PRO CB C 31.8 . 1 661 . 76 PRO HB2 H 1.615 . 2 662 . 76 PRO HB3 H 2.107 . 2 663 . 76 PRO CG C 26.81 . 1 664 . 76 PRO HG2 H 1.715 . 2 665 . 76 PRO HG3 H 1.749 . 2 666 . 76 PRO CD C 49.67 . 1 667 . 76 PRO HD2 H 3.073 . 2 668 . 76 PRO HD3 H 3.364 . 2 669 . 77 GLY H H 8.30 . 1 670 . 77 GLY N N 108.60 . 1 671 . 77 GLY CA C 45.56 . 1 672 . 77 GLY HA2 H 3.733 . 2 673 . 77 GLY HA3 H 3.596 . 2 674 . 78 LEU H H 7.74 . 1 675 . 78 LEU N N 120.80 . 1 676 . 78 LEU CA C 55.25 . 1 677 . 78 LEU HA H 3.896 . 1 678 . 78 LEU CB C 40.9 . 1 679 . 78 LEU HB2 H 0.7527 . 2 680 . 78 LEU HB3 H 1.503 . 2 681 . 78 LEU CG C 25.42 . 1 682 . 78 LEU CD1 C 22.9 . 1 683 . 78 LEU HD1 H 0.6048 . 2 684 . 78 LEU CD2 C 25.72 . 1 685 . 78 LEU HD2 H 0.555 . 2 686 . 78 LEU HG H 1.549 . 1 687 . 79 GLN H H 8.19 . 1 688 . 79 GLN N N 120.50 . 1 689 . 79 GLN CA C 53.7 . 1 690 . 79 GLN HA H 4.348 . 1 691 . 79 GLN CB C 29.7 . 1 692 . 79 GLN HB2 H 1.668 . 2 693 . 79 GLN HB3 H 1.79 . 2 694 . 79 GLN CG C 33.41 . 1 695 . 79 GLN HG2 H 2.069 . 2 696 . 79 GLN HG3 H 2.125 . 2 697 . 79 GLN NE2 N 113.0 . 1 698 . 79 GLN HE21 H 6.649 . 2 699 . 79 GLN HE22 H 7.212 . 2 700 . 80 TYR H H 8.47 . 1 701 . 80 TYR N N 124.40 . 1 702 . 80 TYR CA C 56.7 . 1 703 . 80 TYR HA H 4.754 . 1 704 . 80 TYR CB C 39 . 1 705 . 80 TYR HB2 H 2.349 . 2 706 . 80 TYR HB3 H 2.599 . 2 707 . 80 TYR HD1 H 6.608 . 1 708 . 80 TYR HD2 H 6.608 . 1 709 . 80 TYR HE1 H 6.345 . 1 710 . 80 TYR HE2 H 6.345 . 1 711 . 81 MET H H 9.20 . 1 712 . 81 MET N N 123.70 . 1 713 . 81 MET CA C 53.3 . 1 714 . 81 MET HA H 4.475 . 1 715 . 81 MET CB C 32.8 . 1 716 . 81 MET HB2 H 1.702 . 2 717 . 81 MET HB3 H 1.852 . 2 718 . 81 MET CG C 31.62 . 1 719 . 81 MET HG2 H 2.186 . 2 720 . 81 MET HG3 H 2.259 . 2 721 . 81 MET CE C 16.94 . 1 722 . 81 MET HE H 1.682 . 1 723 . 82 LEU H H 8.51 . 1 724 . 82 LEU N N 126.00 . 1 725 . 82 LEU CA C 55 . 1 726 . 82 LEU HA H 4.733 . 1 727 . 82 LEU CB C 40.3 . 1 728 . 82 LEU HB2 H 1.199 . 2 729 . 82 LEU HB3 H 1.774 . 2 730 . 82 LEU CG C 27.08 . 1 731 . 82 LEU CD1 C 24.31 . 1 732 . 82 LEU HD1 H 0.974 . 2 733 . 82 LEU CD2 C 25.93 . 1 734 . 82 LEU HD2 H 0.792 . 2 735 . 82 LEU HG H 1.283 . 1 736 . 83 LEU H H 9.07 . 1 737 . 83 LEU N N 130.30 . 1 738 . 83 LEU CA C 55.7 . 1 739 . 83 LEU HA H 4.219 . 1 740 . 83 LEU CB C 41.5 . 1 741 . 83 LEU HB2 H 1.249 . 2 742 . 83 LEU HB3 H 1.323 . 2 743 . 83 LEU CG C 26.61 . 1 744 . 83 LEU CD1 C 22.31 . 1 745 . 83 LEU HD1 H 0.5324 . 2 746 . 83 LEU CD2 C 24.98 . 1 747 . 83 LEU HD2 H 0.6027 . 2 748 . 83 LEU HG H 1.339 . 1 749 . 84 SER H H 7.44 . 1 750 . 84 SER N N 109.50 . 1 751 . 84 SER CA C 57.4 . 1 752 . 84 SER HA H 4.288 . 1 753 . 84 SER CB C 64 . 1 754 . 84 SER HB2 H 3.467 . 1 755 . 84 SER HB3 H 3.509 . 1 756 . 85 GLN H H 8.09 . 1 757 . 85 GLN N N 122.60 . 1 758 . 85 GLN CA C 54.5 . 1 759 . 85 GLN HA H 4.678 . 1 760 . 85 GLN CB C 29.7 . 1 761 . 85 GLN HB2 H 1.546 . 2 762 . 85 GLN HB3 H 1.631 . 2 763 . 85 GLN CG C 32.67 . 1 764 . 85 GLN HG2 H 1.299 . 2 765 . 85 GLN HG3 H 1.543 . 2 766 . 85 GLN NE2 N 110.9 . 1 767 . 85 GLN HE21 H 6.508 . 2 768 . 85 GLN HE22 H 6.793 . 2 769 . 86 THR H H 8.24 . 1 770 . 86 THR N N 117.10 . 1 771 . 86 THR CA C 59.5 . 1 772 . 86 THR HA H 4.458 . 1 773 . 86 THR CB C 71.3 . 1 774 . 86 THR HB H 3.997 . 1 775 . 86 THR CG2 C 20.91 . 1 776 . 86 THR HG2 H 0.896 . 1 777 . 87 GLY H H 8.03 . 1 778 . 87 GLY N N 107.90 . 1 779 . 87 GLY CA C 43.3 . 1 780 . 87 GLY HA2 H 4.187 . 2 781 . 87 GLY HA3 H 3.6 . 2 782 . 88 PRO CA C 61.7 . 1 783 . 88 PRO HA H 4.269 . 1 784 . 88 PRO CB C 31.9 . 1 785 . 88 PRO HB2 H 1.463 . 2 786 . 88 PRO HB3 H 1.986 . 2 787 . 88 PRO CG C 26.48 . 1 788 . 88 PRO CD C 48.3 . 1 789 . 88 PRO HD2 H 3.22 . 2 790 . 88 PRO HD3 H 3.317 . 2 791 . 89 VAL H H 8.21 . 1 792 . 89 VAL N N 118.40 . 1 793 . 89 VAL CA C 64.7 . 1 794 . 89 VAL HA H 3.437 . 1 795 . 89 VAL CB C 31.2 . 1 796 . 89 VAL HB H 1.857 . 1 797 . 89 VAL CG1 C 20.27 . 1 798 . 89 VAL HG1 H 0.7228 . 2 799 . 89 VAL CG2 C 20.69 . 1 800 . 89 VAL HG2 H 0.777 . 2 801 . 90 HIS H H 7.18 . 1 802 . 90 HIS N N 112.80 . 1 803 . 90 HIS CA C 55.5 . 1 804 . 90 HIS HA H 4.381 . 1 805 . 90 HIS CB C 30.1 . 1 806 . 90 HIS HB2 H 2.747 . 2 807 . 90 HIS HB3 H 3.082 . 2 808 . 90 HIS HD2 H 6.721 . 1 809 . 90 HIS HE1 H 7.5 . 1 810 . 91 ALA H H 7.12 . 1 811 . 91 ALA N N 124.80 . 1 812 . 91 ALA CA C 50.3 . 1 813 . 91 ALA HA H 4.415 . 1 814 . 91 ALA CB C 18 . 1 815 . 91 ALA HB H 0.7642 . 1 816 . 92 PRO CA C 62.4 . 1 817 . 92 PRO HA H 4.197 . 1 818 . 92 PRO CB C 32.1 . 1 819 . 92 PRO HB2 H 1.059 . 2 820 . 92 PRO HB3 H 1.634 . 2 821 . 92 PRO CG C 26.6 . 1 822 . 92 PRO HG2 H 1.91 . 1 823 . 92 PRO HG3 H 1.91 . 1 824 . 92 PRO CD C 49.11 . 1 825 . 92 PRO HD2 H 3.198 . 2 826 . 92 PRO HD3 H 3.272 . 2 827 . 93 LEU H H 8.06 . 1 828 . 93 LEU N N 120.00 . 1 829 . 93 LEU CA C 53.8 . 1 830 . 93 LEU HA H 4.261 . 1 831 . 93 LEU CB C 43.3 . 1 832 . 93 LEU HB2 H 0.966 . 2 833 . 93 LEU HB3 H 1.28 . 2 834 . 93 LEU CG C 26.89 . 1 835 . 93 LEU CD1 C 23.4 . 1 836 . 93 LEU HD1 H 0.5577 . 2 837 . 93 LEU CD2 C 24.54 . 1 838 . 93 LEU HD2 H 0.489 . 2 839 . 93 LEU HG H 1.03 . 1 840 . 94 PHE H H 8.81 . 1 841 . 94 PHE N N 125.30 . 1 842 . 94 PHE CA C 56.9 . 1 843 . 94 PHE HA H 4.82 . 1 844 . 94 PHE CB C 41 . 1 845 . 94 PHE HB2 H 2.328 . 2 846 . 94 PHE HB3 H 2.526 . 2 847 . 94 PHE HD1 H 6.778 . 1 848 . 94 PHE HD2 H 6.778 . 1 849 . 94 PHE HE1 H 7.083 . 1 850 . 94 PHE HE2 H 7.083 . 1 851 . 94 PHE HZ H 7.073 . 1 852 . 95 VAL H H 8.29 . 1 853 . 95 VAL N N 120.40 . 1 854 . 95 VAL CA C 61.2 . 1 855 . 95 VAL HA H 4.852 . 1 856 . 95 VAL CB C 32.7 . 1 857 . 95 VAL HB H 1.77 . 1 858 . 95 VAL CG1 C 20.14 . 1 859 . 95 VAL HG1 H 0.604 . 2 860 . 95 VAL CG2 C 21.2 . 1 861 . 95 VAL HG2 H 0.699 . 2 862 . 96 MET H H 9.15 . 1 863 . 96 MET N N 125.50 . 1 864 . 96 MET CA C 52.5 . 1 865 . 96 MET HA H 5.5 . 1 866 . 96 MET CB C 35.7 . 1 867 . 96 MET HB2 H 1.431 . 2 868 . 96 MET HB3 H 1.707 . 2 869 . 96 MET CG C 32.9 . 1 870 . 96 MET HG2 H 2.21 . 2 871 . 96 MET HG3 H 2.294 . 2 872 . 96 MET CE C 17 . 1 873 . 96 MET HE H 1.693 . 1 874 . 97 SER H H 9.22 . 1 875 . 97 SER N N 114.40 . 1 876 . 97 SER CA C 55.6 . 1 877 . 97 SER HA H 5.669 . 1 878 . 97 SER CB C 66.9 . 1 879 . 97 SER HB2 H 3.378 . 1 880 . 97 SER HB3 H 3.585 . 1 881 . 98 VAL H H 8.68 . 1 882 . 98 VAL N N 120.00 . 1 883 . 98 VAL CA C 59.6 . 1 884 . 98 VAL HA H 4.287 . 1 885 . 98 VAL CB C 35 . 1 886 . 98 VAL HB H 1.349 . 1 887 . 98 VAL CG1 C 18.39 . 1 888 . 98 VAL HG1 H 0.4866 . 2 889 . 98 VAL CG2 C 21.51 . 1 890 . 98 VAL HG2 H 0.1031 . 2 891 . 99 GLU H H 7.94 . 1 892 . 99 GLU N N 128.70 . 1 893 . 99 GLU CA C 53.7 . 1 894 . 99 GLU HA H 5.15 . 1 895 . 99 GLU CB C 30.1 . 1 896 . 99 GLU HB2 H 1.53 . 2 897 . 99 GLU HB3 H 1.694 . 2 898 . 99 GLU CG C 35.72 . 1 899 . 99 GLU HG2 H 1.568 . 2 900 . 99 GLU HG3 H 1.701 . 2 901 . 100 VAL H H 8.85 . 1 902 . 100 VAL N N 124.70 . 1 903 . 100 VAL CA C 60.6 . 1 904 . 100 VAL HA H 4.044 . 1 905 . 100 VAL CB C 33.2 . 1 906 . 100 VAL HB H 1.988 . 1 907 . 100 VAL CG1 C 20.84 . 1 908 . 100 VAL HG1 H 0.6816 . 2 909 . 100 VAL CG2 C 22.21 . 1 910 . 100 VAL HG2 H 0.7633 . 2 911 . 101 ASN H H 7.53 . 1 912 . 101 ASN N N 120.60 . 1 913 . 101 ASN CA C 53.4 . 1 914 . 101 ASN HA H 4.143 . 1 915 . 101 ASN CB C 36.5 . 1 916 . 101 ASN HB2 H 2.539 . 2 917 . 101 ASN HB3 H 2.839 . 2 918 . 101 ASN ND2 N 111.2 . 1 919 . 101 ASN HD21 H 5.752 . 2 920 . 101 ASN HD22 H 7.182 . 2 921 . 102 GLY H H 8.65 . 1 922 . 102 GLY N N 104.00 . 1 923 . 102 GLY CA C 45 . 1 924 . 102 GLY HA2 H 3.816 . 2 925 . 102 GLY HA3 H 3.402 . 2 926 . 103 GLN H H 7.54 . 1 927 . 103 GLN N N 120.60 . 1 928 . 103 GLN CA C 53.4 . 1 929 . 103 GLN HA H 4.213 . 1 930 . 103 GLN CB C 31.4 . 1 931 . 103 GLN HB2 H 1.427 . 2 932 . 103 GLN HB3 H 1.656 . 2 933 . 103 GLN CG C 33.41 . 1 934 . 103 GLN HG2 H 1.682 . 2 935 . 103 GLN HG3 H 1.84 . 2 936 . 103 GLN NE2 N 111.8 . 1 937 . 103 GLN HE21 H 6.674 . 2 938 . 103 GLN HE22 H 7.231 . 2 939 . 104 VAL H H 7.85 . 1 940 . 104 VAL N N 121.40 . 1 941 . 104 VAL CA C 61.3 . 1 942 . 104 VAL HA H 4.156 . 1 943 . 104 VAL CB C 31.7 . 1 944 . 104 VAL HB H 1.493 . 1 945 . 104 VAL CG1 C 21.08 . 1 946 . 105 PHE H H 8.90 . 1 947 . 105 PHE N N 127.70 . 1 948 . 105 PHE CA C 56.8 . 1 949 . 105 PHE HA H 4.444 . 1 950 . 105 PHE CB C 40.7 . 1 951 . 105 PHE HB2 H 2.639 . 2 952 . 105 PHE HB3 H 2.703 . 2 953 . 105 PHE HD1 H 6.915 . 1 954 . 105 PHE HD2 H 6.915 . 1 955 . 105 PHE HE1 H 7.112 . 1 956 . 105 PHE HE2 H 7.112 . 1 957 . 105 PHE HZ H 7.117 . 1 958 . 106 GLU H H 8.46 . 1 959 . 106 GLU N N 121.40 . 1 960 . 106 GLU CA C 53.9 . 1 961 . 106 GLU HA H 5.133 . 1 962 . 106 GLU CB C 31.9 . 1 963 . 106 GLU HB2 H 1.611 . 1 964 . 106 GLU HB3 H 1.611 . 1 965 . 106 GLU CG C 36.35 . 1 966 . 106 GLU HG2 H 1.736 . 2 967 . 106 GLU HG3 H 1.858 . 2 968 . 107 GLY H H 9.05 . 1 969 . 107 GLY N N 110.00 . 1 970 . 107 GLY CA C 43.7 . 1 971 . 107 GLY HA2 H 4.454 . 2 972 . 107 GLY HA3 H 3.688 . 2 973 . 108 SER H H 9.63 . 1 974 . 108 SER N N 117.00 . 1 975 . 108 SER CA C 55.8 . 1 976 . 108 SER HA H 6.051 . 1 977 . 108 SER CB C 66.8 . 1 978 . 109 GLY H H 8.52 . 1 979 . 109 GLY N N 106.50 . 1 980 . 109 GLY CA C 45.4 . 1 981 . 109 GLY HA2 H 4.284 . 2 982 . 109 GLY HA3 H 3.802 . 2 983 . 110 PRO CA C 63.4 . 1 984 . 110 PRO HA H 4.936 . 1 985 . 110 PRO CB C 32 . 1 986 . 110 PRO HB2 H 2.063 . 2 987 . 110 PRO HB3 H 2.163 . 2 988 . 110 PRO CG C 26.3 . 1 989 . 110 PRO HG2 H 1.79 . 2 990 . 110 PRO HG3 H 2.03 . 2 991 . 110 PRO CD C 49.46 . 1 992 . 110 PRO HD2 H 3.343 . 2 993 . 110 PRO HD3 H 3.569 . 2 994 . 111 THR H H 6.88 . 1 995 . 111 THR N N 105.80 . 1 996 . 111 THR CA C 57.8 . 1 997 . 111 THR HA H 4.245 . 1 998 . 111 THR CB C 71.8 . 1 999 . 111 THR HB H 4.194 . 1 1000 . 111 THR CG2 C 21.8 . 1 1001 . 111 THR HG2 H 0.993 . 1 1002 . 112 LYS H H 8.14 . 1 1003 . 112 LYS N N 122.80 . 1 1004 . 112 LYS CA C 60.2 . 1 1005 . 112 LYS HA H 3.011 . 1 1006 . 112 LYS CB C 31.3 . 1 1007 . 112 LYS HB2 H 1.146 . 1 1008 . 112 LYS HB3 H 1.146 . 1 1009 . 112 LYS CG C 25.82 . 1 1010 . 112 LYS HG2 H 0.3992 . 2 1011 . 112 LYS HG3 H 0.4677 . 2 1012 . 112 LYS CD C 29.3 . 1 1013 . 112 LYS HD2 H 1.272 . 2 1014 . 112 LYS HD3 H 1.312 . 2 1015 . 112 LYS CE C 41.48 . 1 1016 . 112 LYS HE2 H 2.537 . 2 1017 . 112 LYS HE3 H 2.566 . 2 1018 . 113 LYS H H 7.84 . 1 1019 . 113 LYS N N 117.50 . 1 1020 . 113 LYS CA C 59.5 . 1 1021 . 113 LYS HA H 3.4 . 1 1022 . 113 LYS CB C 31.7 . 1 1023 . 113 LYS HB2 H 1.495 . 1 1024 . 113 LYS HB3 H 1.495 . 1 1025 . 113 LYS CG C 24.61 . 1 1026 . 113 LYS HG2 H 1.009 . 2 1027 . 113 LYS HG3 H 1.092 . 2 1028 . 113 LYS CD C 28.8 . 1 1029 . 113 LYS HD2 H 1.364 . 1 1030 . 113 LYS HD3 H 1.364 . 1 1031 . 113 LYS CE C 41.45 . 1 1032 . 113 LYS HE2 H 2.635 . 1 1033 . 113 LYS HE3 H 2.635 . 1 1034 . 114 LYS H H 7.59 . 1 1035 . 114 LYS N N 117.60 . 1 1036 . 114 LYS CA C 58.7 . 1 1037 . 114 LYS HA H 3.599 . 1 1038 . 114 LYS CB C 32 . 1 1039 . 114 LYS HB2 H 1.588 . 1 1040 . 114 LYS HB3 H 1.588 . 1 1041 . 114 LYS CG C 26.36 . 1 1042 . 114 LYS HG2 H 1.198 . 1 1043 . 114 LYS HG3 H 1.198 . 1 1044 . 114 LYS CD C 28.8 . 1 1045 . 114 LYS HD2 H 1.425 . 1 1046 . 114 LYS HD3 H 1.425 . 1 1047 . 114 LYS CE C 41.45 . 1 1048 . 114 LYS HE2 H 2.746 . 1 1049 . 114 LYS HE3 H 2.746 . 1 1050 . 115 ALA H H 7.61 . 1 1051 . 115 ALA N N 122.10 . 1 1052 . 115 ALA CA C 55.1 . 1 1053 . 115 ALA HA H 3.582 . 1 1054 . 115 ALA CB C 18 . 1 1055 . 116 LYS H H 7.88 . 1 1056 . 116 LYS N N 116.70 . 1 1057 . 116 LYS CA C 60.1 . 1 1058 . 116 LYS HA H 3.313 . 1 1059 . 116 LYS CB C 31.4 . 1 1060 . 116 LYS HB2 H 0.948 . 2 1061 . 116 LYS HB3 H 1.369 . 2 1062 . 116 LYS CG C 25.4 . 1 1063 . 116 LYS HG2 H 0.5753 . 2 1064 . 116 LYS HG3 H 1.251 . 2 1065 . 116 LYS CD C 28.98 . 1 1066 . 116 LYS HD2 H 0.943 . 1 1067 . 116 LYS HD3 H 0.943 . 1 1068 . 116 LYS CE C 40.74 . 1 1069 . 116 LYS HE2 H 1.947 . 2 1070 . 116 LYS HE3 H 2.108 . 2 1071 . 117 LEU H H 7.75 . 1 1072 . 117 LEU N N 118.80 . 1 1073 . 117 LEU CA C 57.9 . 1 1074 . 117 LEU HA H 3.583 . 1 1075 . 117 LEU CB C 40.1 . 1 1076 . 117 LEU HB2 H 1.428 . 2 1077 . 117 LEU HB3 H 1.496 . 2 1078 . 117 LEU CG C 26.82 . 1 1079 . 117 LEU CD1 C 24.5 . 1 1080 . 117 LEU HD1 H 0.7285 . 2 1081 . 117 LEU CD2 C 24.87 . 1 1082 . 117 LEU HD2 H 0.699 . 2 1083 . 117 LEU HG H 1.386 . 1 1084 . 118 HIS H H 7.80 . 1 1085 . 118 HIS N N 118.20 . 1 1086 . 118 HIS CA C 57.7 . 1 1087 . 118 HIS HA H 4.394 . 1 1088 . 118 HIS CB C 29.7 . 1 1089 . 118 HIS HB2 H 3.035 . 2 1090 . 118 HIS HB3 H 3.2 . 2 1091 . 118 HIS HD2 H 6.953 . 1 1092 . 118 HIS HE1 H 7.746 . 1 1093 . 119 ALA H H 7.80 . 1 1094 . 119 ALA N N 122.40 . 1 1095 . 119 ALA CA C 55.3 . 1 1096 . 119 ALA HA H 3.574 . 1 1097 . 119 ALA CB C 16.7 . 1 1098 . 119 ALA HB H 1.259 . 1 1099 . 120 ALA H H 8.43 . 1 1100 . 120 ALA N N 119.00 . 1 1101 . 120 ALA CA C 54.4 . 1 1102 . 120 ALA HA H 3.667 . 1 1103 . 120 ALA CB C 17.2 . 1 1104 . 120 ALA HB H 1.274 . 1 1105 . 121 GLU H H 8.32 . 1 1106 . 121 GLU N N 117.50 . 1 1107 . 121 GLU CA C 59.2 . 1 1108 . 121 GLU HA H 3.481 . 1 1109 . 121 GLU CB C 29.1 . 1 1110 . 121 GLU HB2 H 1.792 . 2 1111 . 121 GLU HB3 H 2.057 . 2 1112 . 121 GLU CG C 36.65 . 1 1113 . 121 GLU HG2 H 1.987 . 2 1114 . 121 GLU HG3 H 2.289 . 2 1115 . 122 LYS H H 7.21 . 1 1116 . 122 LYS N N 118.10 . 1 1117 . 122 LYS CA C 59.2 . 1 1118 . 122 LYS HA H 3.608 . 1 1119 . 122 LYS CB C 32 . 1 1120 . 122 LYS HB2 H 1.748 . 1 1121 . 122 LYS HB3 H 1.748 . 1 1122 . 122 LYS CG C 25.26 . 1 1123 . 122 LYS HG2 H 1.257 . 2 1124 . 122 LYS HG3 H 1.565 . 2 1125 . 122 LYS CD C 29.38 . 1 1126 . 122 LYS HD2 H 1.639 . 1 1127 . 122 LYS HD3 H 1.639 . 1 1128 . 122 LYS CE C 41.4 . 1 1129 . 122 LYS HE2 H 2.687 . 1 1130 . 122 LYS HE3 H 2.687 . 1 1131 . 123 ALA H H 7.71 . 1 1132 . 123 ALA N N 122.90 . 1 1133 . 123 ALA CA C 53.3 . 1 1134 . 123 ALA HA H 1.754 . 1 1135 . 123 ALA CB C 18.7 . 1 1136 . 123 ALA HB H 0.6713 . 1 1137 . 124 LEU H H 8.40 . 1 1138 . 124 LEU N N 119.00 . 1 1139 . 124 LEU CA C 57.3 . 1 1140 . 124 LEU HA H 3.608 . 1 1141 . 124 LEU CB C 41 . 1 1142 . 124 LEU HB2 H 1.361 . 2 1143 . 124 LEU HB3 H 1.447 . 2 1144 . 124 LEU CG C 26.54 . 1 1145 . 124 LEU CD1 C 23.12 . 1 1146 . 124 LEU HD1 H 0.615 . 2 1147 . 124 LEU CD2 C 24.41 . 1 1148 . 124 LEU HD2 H 0.5016 . 2 1149 . 124 LEU HG H 1.423 . 1 1150 . 125 ARG H H 7.15 . 1 1151 . 125 ARG N N 116.40 . 1 1152 . 125 ARG CA C 57.6 . 1 1153 . 125 ARG HA H 3.897 . 1 1154 . 125 ARG CB C 28.9 . 1 1155 . 125 ARG HB2 H 1.666 . 1 1156 . 125 ARG HB3 H 1.666 . 1 1157 . 125 ARG CG C 27.46 . 1 1158 . 125 ARG HG2 H 1.453 . 2 1159 . 125 ARG HG3 H 1.62 . 2 1160 . 125 ARG CD C 43.12 . 1 1161 . 125 ARG HD2 H 2.967 . 1 1162 . 125 ARG HD3 H 2.967 . 1 1163 . 126 SER H H 7.22 . 1 1164 . 126 SER N N 113.80 . 1 1165 . 126 SER CA C 59.9 . 1 1166 . 126 SER HA H 4.114 . 1 1167 . 126 SER CB C 63.6 . 1 1168 . 126 SER HB2 H 3.62 . 2 1169 . 126 SER HB3 H 3.799 . 2 1170 . 127 PHE H H 7.22 . 1 1171 . 127 PHE N N 120.00 . 1 1172 . 127 PHE CA C 58 . 1 1173 . 127 PHE HA H 4.386 . 1 1174 . 127 PHE CB C 38.4 . 1 1175 . 127 PHE HB2 H 2.804 . 2 1176 . 127 PHE HB3 H 2.924 . 2 1177 . 127 PHE HD1 H 7.1 . 1 1178 . 127 PHE HD2 H 7.1 . 1 1179 . 127 PHE HE1 H 6.873 . 1 1180 . 127 PHE HE2 H 6.873 . 1 1181 . 127 PHE HZ H 6.742 . 1 1182 . 128 VAL H H 7.58 . 1 1183 . 128 VAL N N 119.40 . 1 1184 . 128 VAL CA C 62.3 . 1 1185 . 128 VAL HA H 3.797 . 1 1186 . 128 VAL CB C 31.5 . 1 1187 . 128 VAL HB H 1.796 . 1 1188 . 128 VAL CG1 C 20.78 . 1 1189 . 128 VAL HG1 H 0.5693 . 2 1190 . 128 VAL CG2 C 20.36 . 1 1191 . 128 VAL HG2 H 0.6227 . 2 1192 . 129 GLN H H 7.92 . 1 1193 . 129 GLN N N 122.00 . 1 1194 . 129 GLN CA C 55.3 . 1 1195 . 129 GLN HA H 4.01 . 1 1196 . 129 GLN CB C 28.8 . 1 1197 . 129 GLN HB2 H 1.652 . 1 1198 . 129 GLN HB3 H 1.652 . 1 1199 . 129 GLN CG C 32.9 . 1 1200 . 129 GLN HG2 H 1.91 . 2 1201 . 129 GLN HG3 H 2 . 2 1202 . 129 GLN NE2 N 112.3 . 1 1203 . 129 GLN HE21 H 6.59 . 2 1204 . 129 GLN HE22 H 7.243 . 2 1205 . 130 PHE H H 8.02 . 1 1206 . 130 PHE N N 121.40 . 1 1207 . 130 PHE CA C 55.1 . 1 1208 . 130 PHE HA H 4.652 . 1 1209 . 130 PHE CB C 37.9 . 1 1210 . 130 PHE HB2 H 2.698 . 2 1211 . 130 PHE HB3 H 2.918 . 2 1212 . 130 PHE HD1 H 7.057 . 1 1213 . 130 PHE HD2 H 7.057 . 1 1214 . 130 PHE HE1 H 6.87 . 1 1215 . 130 PHE HE2 H 6.87 . 1 1216 . 131 PRO CA C 63 . 1 1217 . 131 PRO HA H 4.193 . 1 1218 . 131 PRO CB C 31.3 . 1 1219 . 132 ASN H H 7.74 . 1 1220 . 132 ASN N N 124.70 . 1 1221 . 132 ASN CA C 54.2 . 1 1222 . 132 ASN HA H 4.215 . 1 1223 . 132 ASN CB C 39.7 . 1 1224 . 132 ASN HB2 H 2.456 . 1 1225 . 132 ASN HB3 H 2.456 . 1 1226 . 132 ASN ND2 N 112.7 . 1 1227 . 132 ASN HD21 H 6.58 . 2 1228 . 132 ASN HD22 H 7.273 . 2 1229 . 136 ALA CA C 54 . 1 1230 . 137 HIS H H 7.97 . 1 1231 . 137 HIS N N 120.20 . 1 1232 . 137 HIS CA C 55.2 . 1 1233 . 137 HIS CB C 28.2 . 1 1234 . 138 LEU H H 7.88 . 1 1235 . 138 LEU N N 118.30 . 1 1236 . 138 LEU CA C 55.5 . 1 1237 . 139 ALA CA C 52.4 . 1 1238 . 140 MET H H 7.83 . 1 1239 . 140 MET N N 123.20 . 1 1240 . 140 MET CA C 55 . 1 1241 . 145 SER CA C 59.4 . 1 1242 . 146 VAL H H 8.00 . 1 1243 . 146 VAL N N 122.10 . 1 1244 . 146 VAL CA C 62.6 . 1 1245 . 146 VAL CB C 31.3 . 1 1246 . 147 ASN H H 7.81 . 1 1247 . 147 ASN N N 120.70 . 1 1248 . 147 ASN CA C 55.1 . 1 1249 . 147 ASN CB C 41.3 . 1 1250 . 149 ASP H H 8.08 . 1 1251 . 149 ASP N N 124.80 . 1 1252 . 149 ASP CA C 54.6 . 1 1253 . 155 ALA H H 8.00 . 1 1254 . 155 ALA N N 124.70 . 1 1255 . 155 ALA CA C 52.3 . 1 1256 . 156 ASP H H 7.90 . 1 1257 . 156 ASP N N 118.90 . 1 1258 . 156 ASP CA C 53.7 . 1 1259 . 156 ASP CB C 40.5 . 1 1260 . 158 PRO CA C 62.2 . 1 1261 . 158 PRO CB C 30.9 . 1 1262 . 159 ASP H H 7.99 . 1 1263 . 159 ASP N N 123.50 . 1 1264 . 159 ASP CA C 52.4 . 1 1265 . 159 ASP CB C 40.7 . 1 1266 . 160 THR H H 8.22 . 1 1267 . 160 THR N N 124.30 . 1 1268 . 160 THR CA C 62.9 . 1 1269 . 161 LEU CA C 54.8 . 1 1270 . 162 PHE H H 7.98 . 1 1271 . 162 PHE N N 120.70 . 1 1272 . 162 PHE CA C 57.4 . 1 1273 . 163 ASN H H 7.94 . 1 1274 . 163 ASN N N 120.70 . 1 1275 . 163 ASN CA C 53.9 . 1 1276 . 168 PRO CA C 62.8 . 1 1277 . 168 PRO CB C 31.2 . 1 1278 . 169 ASP H H 8.16 . 1 1279 . 169 ASP N N 120.20 . 1 1280 . 169 ASP CA C 54.1 . 1 1281 . 169 ASP CB C 40.5 . 1 1282 . 170 LYS H H 7.77 . 1 1283 . 170 LYS N N 122.40 . 1 1284 . 170 LYS CA C 57.1 . 1 1285 . 174 PRO CA C 62.4 . 1 1286 . 174 PRO CB C 30.8 . 1 1287 . 175 PHE H H 7.80 . 1 1288 . 175 PHE N N 119.50 . 1 1289 . 175 PHE CA C 57.1 . 1 1290 . 175 PHE CB C 38.9 . 1 1291 . 182 ASP H H 8.09 . 1 1292 . 182 ASP N N 123.80 . 1 1293 . 182 ASP CA C 53.8 . 1 1294 . 182 ASP CB C 40.3 . 1 1295 . 183 ASP H H 7.86 . 1 1296 . 183 ASP N N 120.90 . 1 1297 . 183 ASP CA C 55.2 . 1 1298 . 183 ASP CB C 38.3 . 1 1299 . 190 ASP CA C 53.8 . 1 1300 . 190 ASP CB C 40.4 . 1 1301 . 191 VAL H H 7.92 . 1 1302 . 191 VAL N N 120.60 . 1 1303 . 191 VAL CA C 61.9 . 1 1304 . 191 VAL CB C 31.7 . 1 1305 . 194 SER CA C 58.3 . 1 1306 . 195 ALA H H 7.80 . 1 1307 . 195 ALA N N 122.40 . 1 1308 . 195 ALA CA C 52.5 . 1 1309 . 201 SER CA C 56.3 . 1 1310 . 202 LEU H H 8.25 . 1 1311 . 202 LEU N N 121.50 . 1 1312 . 202 LEU CA C 54.3 . 1 1313 . 203 THR H H 7.75 . 1 1314 . 203 THR N N 113.60 . 1 1315 . 203 THR CA C 61.6 . 1 1316 . 203 THR CB C 69.3 . 1 1317 . 206 PRO CA C 62.3 . 1 1318 . 207 LEU H H 8.13 . 1 1319 . 207 LEU N N 121.90 . 1 1320 . 207 LEU CA C 55.7 . 1 1321 . 209 ILE H H 7.78 . 1 1322 . 209 ILE N N 123.40 . 1 1323 . 209 ILE CA C 61.7 . 1 1324 . 212 PRO CA C 62.3 . 1 1325 . 212 PRO CB C 30.7 . 1 1326 . 213 PHE H H 7.98 . 1 1327 . 213 PHE N N 123.00 . 1 1328 . 213 PHE CA C 58 . 1 1329 . 213 PHE CB C 37.3 . 1 1330 . 219 LYS CA C 57.2 . 1 1331 . 220 ASN H H 8.16 . 1 1332 . 220 ASN N N 122.30 . 1 1333 . 220 ASN CA C 54.2 . 1 1334 . 221 PRO CA C 65 . 1 1335 . 221 PRO HA H 3.679 . 1 1336 . 221 PRO CB C 32.5 . 1 1337 . 221 PRO HB2 H 1.748 . 1 1338 . 221 PRO HB3 H 1.748 . 1 1339 . 221 PRO CG C 27.94 . 1 1340 . 221 PRO HG2 H 1.773 . 2 1341 . 221 PRO HG3 H 1.887 . 2 1342 . 222 VAL H H 7.44 . 1 1343 . 222 VAL N N 116.20 . 1 1344 . 222 VAL CA C 65.7 . 1 1345 . 222 VAL HA H 3.119 . 1 1346 . 222 VAL CB C 31.8 . 1 1347 . 222 VAL HB H 1.705 . 1 1348 . 222 VAL CG1 C 20.44 . 1 1349 . 222 VAL HG1 H 0.5303 . 2 1350 . 222 VAL CG2 C 22.66 . 1 1351 . 222 VAL HG2 H 0.54 . 2 1352 . 223 MET H H 6.99 . 1 1353 . 223 MET N N 119.40 . 1 1354 . 223 MET CA C 57.6 . 1 1355 . 223 MET HA H 3.881 . 1 1356 . 223 MET CB C 32.3 . 1 1357 . 223 MET HB2 H 1.81 . 2 1358 . 223 MET HB3 H 1.877 . 2 1359 . 223 MET CG C 32.04 . 1 1360 . 223 MET HG2 H 2.199 . 2 1361 . 223 MET HG3 H 2.375 . 2 1362 . 224 ILE H H 7.60 . 1 1363 . 224 ILE N N 120.40 . 1 1364 . 224 ILE CA C 64.1 . 1 1365 . 224 ILE HA H 3.338 . 1 1366 . 224 ILE CB C 36.9 . 1 1367 . 224 ILE HB H 1.325 . 1 1368 . 224 ILE CG2 C 17.02 . 1 1369 . 224 ILE HG2 H 0.4308 . 1 1370 . 224 ILE CG1 C 28.19 . 1 1371 . 224 ILE HG12 H 0.748 . 2 1372 . 224 ILE HG13 H 1.276 . 2 1373 . 224 ILE CD1 C 12.94 . 1 1374 . 224 ILE HD1 H 0.3835 . 1 1375 . 225 LEU H H 7.96 . 1 1376 . 225 LEU N N 118.80 . 1 1377 . 225 LEU CA C 56.3 . 1 1378 . 225 LEU HA H 3.68 . 1 1379 . 225 LEU CB C 39.6 . 1 1380 . 225 LEU HB2 H 0.984 . 2 1381 . 225 LEU HB3 H 1.764 . 2 1382 . 225 LEU CD1 C 22.69 . 1 1383 . 225 LEU HD1 H 0.6125 . 2 1384 . 225 LEU CD2 C 26.02 . 1 1385 . 225 LEU HD2 H 0.651 . 2 1386 . 226 ASN H H 7.67 . 1 1387 . 226 ASN N N 116.30 . 1 1388 . 226 ASN CA C 55.1 . 1 1389 . 226 ASN HA H 4.178 . 1 1390 . 226 ASN CB C 38.1 . 1 1391 . 226 ASN HB2 H 2.549 . 2 1392 . 226 ASN HB3 H 2.622 . 2 1393 . 227 GLU H H 7.15 . 1 1394 . 227 GLU N N 116.40 . 1 1395 . 227 GLU CA C 57.6 . 1 1396 . 227 GLU HA H 3.733 . 1 1397 . 227 GLU CB C 28.8 . 1 1398 . 227 GLU HB2 H 1.743 . 2 1399 . 227 GLU HB3 H 1.876 . 2 1400 . 227 GLU CG C 36.13 . 1 1401 . 227 GLU HG2 H 1.958 . 2 1402 . 227 GLU HG3 H 2.173 . 2 1403 . 228 LEU H H 6.78 . 1 1404 . 228 LEU N N 118.00 . 1 1405 . 228 LEU CA C 55.9 . 1 1406 . 228 LEU HA H 3.81 . 1 1407 . 228 LEU CB C 41.8 . 1 1408 . 228 LEU HB2 H 0.7076 . 2 1409 . 228 LEU HB3 H 1.144 . 2 1410 . 228 LEU CG C 26.18 . 1 1411 . 228 LEU CD1 C 23.8 . 1 1412 . 228 LEU HD1 H -0.4825 . 2 1413 . 228 LEU CD2 C 21.69 . 1 1414 . 228 LEU HD2 H 0.2538 . 2 1415 . 228 LEU HG H 1.154 . 1 1416 . 229 ARG H H 8.33 . 1 1417 . 229 ARG N N 120.20 . 1 1418 . 229 ARG CA C 50.4 . 1 1419 . 229 ARG HA H 3.357 . 1 1420 . 229 ARG CB C 30.3 . 1 1421 . 230 PRO CA C 62.8 . 1 1422 . 230 PRO HA H 4.361 . 1 1423 . 230 PRO CB C 32.1 . 1 1424 . 230 PRO HB2 H 1.593 . 2 1425 . 230 PRO HB3 H 2.067 . 2 1426 . 230 PRO CG C 27.16 . 1 1427 . 230 PRO HG2 H 1.726 . 1 1428 . 230 PRO HG3 H 1.726 . 1 1429 . 230 PRO CD C 49.56 . 1 1430 . 230 PRO HD2 H 3.025 . 2 1431 . 230 PRO HD3 H 3.346 . 2 1432 . 231 GLY H H 8.21 . 1 1433 . 231 GLY N N 108.70 . 1 1434 . 231 GLY CA C 45.9 . 1 1435 . 231 GLY HA2 H 3.714 . 2 1436 . 231 GLY HA3 H 3.589 . 2 1437 . 232 LEU H H 7.73 . 1 1438 . 232 LEU N N 120.10 . 1 1439 . 232 LEU CA C 55.1 . 1 1440 . 232 LEU HA H 3.909 . 1 1441 . 232 LEU CB C 40.9 . 1 1442 . 232 LEU HB2 H 0.728 . 2 1443 . 232 LEU HB3 H 1.475 . 2 1444 . 232 LEU CG C 25.59 . 1 1445 . 232 LEU CD1 C 26.93 . 1 1446 . 232 LEU HD1 H 0.5675 . 2 1447 . 232 LEU CD2 C 22.7 . 1 1448 . 232 LEU HD2 H 0.651 . 2 1449 . 232 LEU HG H 1.627 . 1 1450 . 233 LYS H H 8.10 . 1 1451 . 233 LYS N N 121.90 . 1 1452 . 233 LYS CA C 54.3 . 1 1453 . 233 LYS HA H 4.36 . 1 1454 . 233 LYS CB C 33 . 1 1455 . 233 LYS HB2 H 1.471 . 2 1456 . 233 LYS HB3 H 1.584 . 2 1457 . 233 LYS CG C 24.51 . 1 1458 . 233 LYS HG2 H 1.163 . 1 1459 . 233 LYS HG3 H 1.163 . 1 1460 . 234 TYR H H 8.53 . 1 1461 . 234 TYR N N 124.20 . 1 1462 . 234 TYR CA C 56.3 . 1 1463 . 234 TYR HA H 4.872 . 1 1464 . 234 TYR CB C 38.9 . 1 1465 . 234 TYR HB2 H 2.323 . 2 1466 . 234 TYR HB3 H 2.633 . 2 1467 . 234 TYR HD1 H 6.615 . 1 1468 . 234 TYR HD2 H 6.615 . 1 1469 . 234 TYR HE1 H 6.375 . 1 1470 . 234 TYR HE2 H 6.375 . 1 1471 . 235 ASP H H 9.10 . 1 1472 . 235 ASP N N 124.10 . 1 1473 . 235 ASP CA C 53 . 1 1474 . 235 ASP HA H 4.789 . 1 1475 . 235 ASP CB C 42.6 . 1 1476 . 236 PHE H H 8.52 . 1 1477 . 236 PHE N N 123.60 . 1 1478 . 236 PHE CA C 56 . 1 1479 . 236 PHE HA H 5.342 . 1 1480 . 236 PHE CB C 38.9 . 1 1481 . 236 PHE HB2 H 2.915 . 2 1482 . 236 PHE HB3 H 2.982 . 2 1483 . 236 PHE HD1 H 7.17 . 1 1484 . 236 PHE HD2 H 7.17 . 1 1485 . 236 PHE HE1 H 7.244 . 1 1486 . 236 PHE HE2 H 7.244 . 1 1487 . 236 PHE HZ H 7.259 . 1 1488 . 237 LEU H H 8.40 . 1 1489 . 237 LEU N N 128.90 . 1 1490 . 237 LEU CA C 55.7 . 1 1491 . 237 LEU HA H 4.126 . 1 1492 . 237 LEU CB C 42 . 1 1493 . 237 LEU HB2 H 1.206 . 1 1494 . 237 LEU HB3 H 1.206 . 1 1495 . 237 LEU CG C 27.06 . 1 1496 . 237 LEU CD1 C 23.09 . 1 1497 . 237 LEU HD1 H 0.5838 . 2 1498 . 237 LEU CD2 C 25.19 . 1 1499 . 237 LEU HD2 H 0.708 . 2 1500 . 237 LEU HG H 1.302 . 1 1501 . 238 SER H H 7.11 . 1 1502 . 238 SER N N 110.20 . 1 1503 . 238 SER CA C 57.7 . 1 1504 . 238 SER HA H 4.058 . 1 1505 . 238 SER CB C 64 . 1 1506 . 239 GLU H H 8.06 . 1 1507 . 239 GLU N N 120.90 . 1 1508 . 239 GLU CA C 54.3 . 1 1509 . 239 GLU HA H 4.698 . 1 1510 . 239 GLU CB C 31.7 . 1 1511 . 240 SER H H 8.27 . 1 1512 . 240 SER N N 117.70 . 1 1513 . 240 SER CA C 57.2 . 1 1514 . 240 SER CB C 65.3 . 1 1515 . 241 GLY H H 8.18 . 1 1516 . 241 GLY N N 108.50 . 1 1517 . 241 GLY CA C 43.9 . 1 1518 . 241 GLY HA2 H 4.043 . 2 1519 . 241 GLY HA3 H 3.534 . 2 1520 . 242 GLU H H 7.76 . 1 1521 . 242 GLU N N 117.80 . 1 1522 . 242 GLU CA C 55.2 . 1 1523 . 244 HIS H H 8.38 . 1 1524 . 244 HIS N N 125.00 . 1 1525 . 244 HIS CA C 56.4 . 1 1526 . 244 HIS CB C 30.1 . 1 1527 . 245 ALA H H 7.67 . 1 1528 . 245 ALA N N 124.90 . 1 1529 . 245 ALA CA C 50.9 . 1 1530 . 245 ALA HA H 4.183 . 1 1531 . 245 ALA CB C 18.5 . 1 1532 . 245 ALA HB H 0.94 . 1 1533 . 246 LYS H H 7.63 . 1 1534 . 246 LYS N N 121.90 . 1 1535 . 246 LYS CA C 55.2 . 1 1536 . 246 LYS HA H 4.122 . 1 1537 . 246 LYS CB C 32.1 . 1 1538 . 246 LYS HB2 H 1.339 . 1 1539 . 246 LYS HB3 H 1.339 . 1 1540 . 246 LYS CG C 24.12 . 1 1541 . 246 LYS HG2 H 1.094 . 1 1542 . 246 LYS HG3 H 1.094 . 1 1543 . 246 LYS CD C 28.22 . 1 1544 . 246 LYS HD2 H 1.258 . 1 1545 . 246 LYS HD3 H 1.258 . 1 1546 . 247 SER H H 8.13 . 1 1547 . 247 SER N N 115.90 . 1 1548 . 247 SER CA C 57.1 . 1 1549 . 247 SER HA H 4.383 . 1 1550 . 247 SER CB C 64.5 . 1 1551 . 248 PHE H H 8.79 . 1 1552 . 248 PHE N N 123.90 . 1 1553 . 248 PHE CA C 57.1 . 1 1554 . 248 PHE HA H 4.9 . 1 1555 . 248 PHE CB C 41.5 . 1 1556 . 248 PHE HB2 H 2.446 . 1 1557 . 248 PHE HB3 H 2.446 . 1 1558 . 248 PHE HD1 H 6.899 . 1 1559 . 248 PHE HD2 H 6.899 . 1 1560 . 248 PHE HE1 H 7.119 . 1 1561 . 248 PHE HE2 H 7.119 . 1 1562 . 248 PHE HZ H 7.101 . 1 1563 . 249 VAL H H 8.60 . 1 1564 . 249 VAL N N 120.50 . 1 1565 . 249 VAL CA C 61.2 . 1 1566 . 249 VAL HA H 4.857 . 1 1567 . 249 VAL CB C 32.4 . 1 1568 . 249 VAL HB H 1.734 . 1 1569 . 249 VAL CG1 C 20.73 . 1 1570 . 249 VAL HG1 H 0.5643 . 2 1571 . 249 VAL CG2 C 21.85 . 1 1572 . 249 VAL HG2 H 0.7134 . 2 1573 . 250 MET H H 8.77 . 1 1574 . 250 MET N N 124.70 . 1 1575 . 250 MET CA C 51.9 . 1 1576 . 250 MET HA H 5.49 . 1 1577 . 250 MET CB C 34.5 . 1 1578 . 250 MET HB2 H 1.373 . 2 1579 . 250 MET HB3 H 1.769 . 2 1580 . 250 MET CG C 32.67 . 1 1581 . 250 MET HG2 H 2.201 . 2 1582 . 250 MET HG3 H 2.456 . 2 1583 . 251 SER H H 9.08 . 1 1584 . 251 SER N N 114.10 . 1 1585 . 251 SER CA C 55.9 . 1 1586 . 251 SER HA H 5.396 . 1 1587 . 251 SER CB C 68.6 . 1 1588 . 251 SER HB2 H 3.267 . 2 1589 . 251 SER HB3 H 3.336 . 2 1590 . 252 VAL H H 8.61 . 1 1591 . 252 VAL N N 120.50 . 1 1592 . 252 VAL CA C 59.6 . 1 1593 . 252 VAL HA H 4.278 . 1 1594 . 252 VAL CB C 35.2 . 1 1595 . 252 VAL HB H 1.301 . 1 1596 . 252 VAL CG1 C 21.13 . 1 1597 . 252 VAL HG1 H 0.0518 . 2 1598 . 252 VAL CG2 C 18.26 . 1 1599 . 252 VAL HG2 H 0.3239 . 2 1600 . 253 VAL H H 7.62 . 1 1601 . 253 VAL N N 126.90 . 1 1602 . 253 VAL CA C 60 . 1 1603 . 253 VAL HA H 4.787 . 1 1604 . 253 VAL CB C 31.4 . 1 1605 . 253 VAL HB H 1.555 . 1 1606 . 253 VAL CG1 C 20.24 . 1 1607 . 253 VAL HG1 H 0.3816 . 2 1608 . 253 VAL CG2 C 21.39 . 1 1609 . 253 VAL HG2 H 0.5313 . 2 1610 . 254 VAL H H 8.87 . 1 1611 . 254 VAL N N 126.50 . 1 1612 . 254 VAL CA C 60.5 . 1 1613 . 254 VAL HA H 4.07 . 1 1614 . 254 VAL CB C 34 . 1 1615 . 254 VAL HB H 1.876 . 1 1616 . 254 VAL CG1 C 22.35 . 1 1617 . 254 VAL HG1 H 0.694 . 1 1618 . 254 VAL CG2 C 22.35 . 1 1619 . 254 VAL HG2 H 0.694 . 1 1620 . 255 ASP H H 9.00 . 1 1621 . 255 ASP N N 128.50 . 1 1622 . 255 ASP CA C 54.4 . 1 1623 . 255 ASP HA H 3.941 . 1 1624 . 255 ASP CB C 37.2 . 1 1625 . 255 ASP HB2 H 2.427 . 2 1626 . 255 ASP HB3 H 2.596 . 2 1627 . 256 GLY H H 8.18 . 1 1628 . 256 GLY N N 102.80 . 1 1629 . 256 GLY CA C 44.8 . 1 1630 . 256 GLY HA2 H 3.824 . 2 1631 . 256 GLY HA3 H 3.211 . 2 1632 . 257 GLN H H 7.77 . 1 1633 . 257 GLN N N 121.80 . 1 1634 . 257 GLN CA C 54.2 . 1 1635 . 257 GLN HA H 4.184 . 1 1636 . 257 GLN CB C 30.9 . 1 1637 . 257 GLN HB2 H 1.565 . 2 1638 . 257 GLN HB3 H 1.921 . 2 1639 . 257 GLN CG C 34.19 . 1 1640 . 257 GLN HG2 H 1.805 . 2 1641 . 257 GLN HG3 H 1.96 . 2 1642 . 258 PHE H H 7.91 . 1 1643 . 258 PHE N N 123.20 . 1 1644 . 258 PHE CA C 57.6 . 1 1645 . 258 PHE HA H 4.22 . 1 1646 . 258 PHE CB C 40.1 . 1 1647 . 258 PHE HB2 H 2.535 . 2 1648 . 258 PHE HB3 H 2.622 . 2 1649 . 258 PHE HD1 H 6.782 . 1 1650 . 258 PHE HD2 H 6.782 . 1 1651 . 258 PHE HE1 H 7.021 . 1 1652 . 258 PHE HE2 H 7.021 . 1 1653 . 258 PHE HZ H 6.938 . 1 1654 . 259 PHE H H 8.30 . 1 1655 . 259 PHE N N 124.60 . 1 1656 . 259 PHE CA C 57.5 . 1 1657 . 259 PHE HA H 4.375 . 1 1658 . 259 PHE CB C 41 . 1 1659 . 259 PHE HB2 H 2.538 . 2 1660 . 259 PHE HB3 H 2.81 . 2 1661 . 259 PHE HD1 H 6.989 . 1 1662 . 259 PHE HD2 H 6.989 . 1 1663 . 259 PHE HE1 H 6.99 . 1 1664 . 259 PHE HE2 H 6.99 . 1 1665 . 259 PHE HZ H 6.733 . 1 1666 . 260 GLU H H 8.35 . 1 1667 . 260 GLU N N 119.20 . 1 1668 . 260 GLU CA C 53.7 . 1 1669 . 260 GLU HA H 5.088 . 1 1670 . 260 GLU CB C 32.7 . 1 1671 . 260 GLU HB2 H 1.665 . 1 1672 . 260 GLU HB3 H 1.665 . 1 1673 . 260 GLU CG C 36.2 . 1 1674 . 260 GLU HG2 H 1.848 . 1 1675 . 260 GLU HG3 H 1.848 . 1 1676 . 261 GLY H H 8.72 . 1 1677 . 261 GLY N N 108.40 . 1 1678 . 261 GLY CA C 44.2 . 1 1679 . 261 GLY HA2 H 4.255 . 2 1680 . 261 GLY HA3 H 3.666 . 2 1681 . 262 SER H H 8.09 . 1 1682 . 262 SER N N 114.90 . 1 1683 . 262 SER CA C 55.1 . 1 1684 . 262 SER HA H 6.007 . 1 1685 . 262 SER CB C 65.7 . 1 1686 . 263 GLY H H 8.38 . 1 1687 . 263 GLY N N 106.20 . 1 1688 . 263 GLY CA C 45.2 . 1 1689 . 263 GLY HA2 H 4.221 . 2 1690 . 263 GLY HA3 H 3.635 . 2 1691 . 264 ARG H H 8.40 . 1 1692 . 264 ARG N N 117.70 . 1 1693 . 264 ARG CA C 56.9 . 1 1694 . 264 ARG HA H 4.413 . 1 1695 . 264 ARG CB C 29.1 . 1 1696 . 265 ASN H H 7.26 . 1 1697 . 265 ASN N N 110.20 . 1 1698 . 265 ASN CA C 51.3 . 1 1699 . 265 ASN HA H 4.155 . 1 1700 . 265 ASN CB C 39.8 . 1 1701 . 266 LYS CA C 60.7 . 1 1702 . 266 LYS HA H 3.181 . 1 1703 . 266 LYS CB C 32.2 . 1 1704 . 266 LYS HB2 H 1.118 . 2 1705 . 266 LYS HB3 H 1.285 . 2 1706 . 266 LYS CG C 29.28 . 1 1707 . 266 LYS HG2 H 1.047 . 1 1708 . 266 LYS HG3 H 1.047 . 1 1709 . 267 LYS H H 7.66 . 1 1710 . 267 LYS N N 119.80 . 1 1711 . 267 LYS CA C 59.8 . 1 1712 . 267 LYS HA H 3.495 . 1 1713 . 267 LYS CB C 30.8 . 1 1714 . 267 LYS HB2 H 1.49 . 1 1715 . 267 LYS HB3 H 1.49 . 1 1716 . 267 LYS CG C 25.33 . 1 1717 . 267 LYS HG2 H 1.031 . 2 1718 . 267 LYS HG3 H 1.196 . 2 1719 . 267 LYS CD C 29.04 . 1 1720 . 267 LYS HD2 H 1.343 . 1 1721 . 267 LYS HD3 H 1.343 . 1 1722 . 267 LYS CE C 41.8 . 1 1723 . 267 LYS HE2 H 2.649 . 1 1724 . 267 LYS HE3 H 2.649 . 1 1725 . 268 LEU H H 8.20 . 1 1726 . 268 LEU N N 121.50 . 1 1727 . 268 LEU CA C 56.6 . 1 1728 . 268 LEU HA H 3.856 . 1 1729 . 268 LEU CB C 41.5 . 1 1730 . 268 LEU HB2 H 1.294 . 2 1731 . 268 LEU HB3 H 1.364 . 2 1732 . 268 LEU CG C 27.11 . 1 1733 . 268 LEU CD1 C 23.32 . 1 1734 . 268 LEU HD1 H 0.6962 . 2 1735 . 268 LEU CD2 C 25.17 . 1 1736 . 268 LEU HD2 H 0.7343 . 2 1737 . 268 LEU HG H 1.508 . 1 1738 . 269 ALA H H 7.42 . 1 1739 . 269 ALA N N 121.20 . 1 1740 . 269 ALA CA C 55.1 . 1 1741 . 269 ALA HA H 3.467 . 1 1742 . 269 ALA CB C 18.6 . 1 1743 . 269 ALA HB H 1.218 . 1 1744 . 270 LYS H H 7.91 . 1 1745 . 270 LYS N N 116.70 . 1 1746 . 270 LYS CA C 59.8 . 1 1747 . 270 LYS HA H 3.27 . 1 1748 . 270 LYS CB C 31.5 . 1 1749 . 270 LYS HB2 H 1.087 . 2 1750 . 270 LYS HB3 H 1.391 . 2 1751 . 270 LYS CG C 25.68 . 1 1752 . 270 LYS HG2 H 0.5384 . 2 1753 . 270 LYS HG3 H 1.032 . 2 1754 . 270 LYS CD C 29.26 . 1 1755 . 270 LYS HD2 H 0.974 . 1 1756 . 270 LYS HD3 H 0.974 . 1 1757 . 270 LYS CE C 40.61 . 1 1758 . 270 LYS HE2 H 1.672 . 2 1759 . 270 LYS HE3 H 1.942 . 2 1760 . 271 ALA H H 7.48 . 1 1761 . 271 ALA N N 119.30 . 1 1762 . 271 ALA CA C 54.9 . 1 1763 . 271 ALA HA H 3.666 . 1 1764 . 271 ALA CB C 17.5 . 1 1765 . 271 ALA HB H 1.29 . 1 1766 . 272 ARG H H 7.87 . 1 1767 . 272 ARG N N 117.50 . 1 1768 . 272 ARG CA C 58.7 . 1 1769 . 272 ARG HA H 3.956 . 1 1770 . 272 ARG CB C 28.7 . 1 1771 . 272 ARG HB2 H 1.742 . 2 1772 . 272 ARG HB3 H 1.892 . 2 1773 . 272 ARG CG C 28.02 . 1 1774 . 272 ARG HG2 H 1.708 . 2 1775 . 272 ARG HG3 H 1.783 . 2 1776 . 272 ARG CD C 43.16 . 1 1777 . 272 ARG HD2 H 3.13 . 1 1778 . 272 ARG HD3 H 3.13 . 1 1779 . 273 ALA H H 7.88 . 1 1780 . 273 ALA N N 125.60 . 1 1781 . 273 ALA CA C 55.1 . 1 1782 . 273 ALA HA H 3.672 . 1 1783 . 273 ALA CB C 16.4 . 1 1784 . 273 ALA HB H 1.196 . 1 1785 . 274 ALA H H 8.22 . 1 1786 . 274 ALA N N 118.50 . 1 1787 . 274 ALA CA C 54.2 . 1 1788 . 274 ALA HA H 3.654 . 1 1789 . 274 ALA CB C 17.5 . 1 1790 . 274 ALA HB H 1.265 . 1 1791 . 275 GLN H H 8.60 . 1 1792 . 275 GLN N N 117.70 . 1 1793 . 275 GLN CA C 59.1 . 1 1794 . 275 GLN HA H 3.567 . 1 1795 . 275 GLN CB C 27.8 . 1 1796 . 275 GLN HB2 H 1.972 . 2 1797 . 275 GLN HB3 H 2.058 . 2 1798 . 275 GLN CG C 33.67 . 1 1799 . 275 GLN HG2 H 2.138 . 2 1800 . 275 GLN HG3 H 2.22 . 2 1801 . 276 SER H H 7.69 . 1 1802 . 276 SER N N 116.40 . 1 1803 . 276 SER CA C 60.9 . 1 1804 . 276 SER HA H 4.072 . 1 1805 . 276 SER CB C 63 . 1 1806 . 277 ALA H H 7.48 . 1 1807 . 277 ALA N N 124.60 . 1 1808 . 277 ALA CA C 53.8 . 1 1809 . 277 ALA HA H 1.842 . 1 1810 . 277 ALA CB C 19.1 . 1 1811 . 277 ALA HB H 0.6397 . 1 1812 . 278 LEU H H 8.48 . 1 1813 . 278 LEU N N 117.50 . 1 1814 . 278 LEU CA C 57.6 . 1 1815 . 278 LEU HA H 3.79 . 1 1816 . 278 LEU CB C 40.8 . 1 1817 . 278 LEU HB2 H 1.27 . 2 1818 . 278 LEU HB3 H 1.728 . 2 1819 . 278 LEU CG C 26.93 . 1 1820 . 278 LEU CD1 C 24.45 . 1 1821 . 278 LEU HD1 H 0.3678 . 2 1822 . 278 LEU CD2 C 26.21 . 1 1823 . 278 LEU HD2 H 0.6059 . 2 1824 . 278 LEU HG H 1.579 . 1 1825 . 279 ALA H H 7.41 . 1 1826 . 279 ALA N N 120.90 . 1 1827 . 279 ALA CA C 54.7 . 1 1828 . 279 ALA HA H 3.23 . 1 1829 . 279 ALA CB C 18.4 . 1 1830 . 279 ALA HB H 1.19 . 1 1831 . 280 THR H H 7.50 . 1 1832 . 280 THR N N 113.50 . 1 1833 . 280 THR CA C 65.9 . 1 1834 . 280 THR HA H 3.783 . 1 1835 . 280 THR CB C 68.8 . 1 1836 . 280 THR HB H 3.86 . 1 1837 . 280 THR CG2 C 21.34 . 1 1838 . 280 THR HG2 H 1.215 . 1 1839 . 281 VAL H H 8.46 . 1 1840 . 281 VAL N N 119.50 . 1 1841 . 281 VAL CA C 64.9 . 1 1842 . 281 VAL HA H 3.313 . 1 1843 . 281 VAL CB C 31.5 . 1 1844 . 281 VAL HB H 1.203 . 1 1845 . 281 VAL CG1 C 20.69 . 1 1846 . 281 VAL HG1 H -0.3811 . 2 1847 . 281 VAL CG2 C 22.99 . 1 1848 . 281 VAL HG2 H 0.6216 . 2 1849 . 282 PHE H H 6.40 . 1 1850 . 282 PHE N N 112.50 . 1 1851 . 282 PHE CA C 57.3 . 1 1852 . 282 PHE HA H 4.396 . 1 1853 . 282 PHE CB C 39.5 . 1 1854 . 282 PHE HB2 H 3.06 . 1 1855 . 282 PHE HB3 H 3.06 . 1 1856 . 282 PHE HD1 H 6.94 . 1 1857 . 282 PHE HD2 H 6.94 . 1 1858 . 282 PHE HE1 H 6.783 . 1 1859 . 282 PHE HE2 H 6.783 . 1 1860 . 282 PHE HZ H 6.657 . 1 1861 . 283 ASN H H 6.91 . 1 1862 . 283 ASN N N 116.80 . 1 1863 . 283 ASN CA C 53.6 . 1 1864 . 283 ASN HA H 4.362 . 1 1865 . 283 ASN CB C 37.1 . 1 1866 . 283 ASN HB2 H 2.376 . 2 1867 . 283 ASN HB3 H 3.009 . 2 1868 . 284 LEU H H 7.34 . 1 1869 . 284 LEU N N 120.50 . 1 1870 . 284 LEU CA C 53.5 . 1 1871 . 284 LEU HA H 4.245 . 1 1872 . 284 LEU CB C 42.3 . 1 1873 . 284 LEU HB2 H 0.93 . 2 1874 . 284 LEU HB3 H 1.029 . 2 1875 . 284 LEU CG C 26.85 . 1 1876 . 284 LEU CD1 C 24.59 . 1 1877 . 284 LEU HD1 H 0.4701 . 1 1878 . 284 LEU CD2 C 24.59 . 1 1879 . 284 LEU HD2 H 0.4701 . 1 1880 . 284 LEU HG H 1.144 . 1 1881 . 285 HIS H H 8.34 . 1 1882 . 285 HIS N N 124.50 . 1 1883 . 285 HIS CA C 55.5 . 1 1884 . 285 HIS HA H 4.182 . 1 1885 . 285 HIS CB C 31.1 . 1 1886 . 285 HIS HB2 H 2.632 . 2 1887 . 285 HIS HB3 H 2.763 . 2 1888 . 285 HIS HD2 H 6.567 . 1 1889 . 287 LEU H H 8.04 . 1 1890 . 287 LEU N N 117.60 . 1 1891 . 287 LEU CA C 55.8 . 1 1892 . 288 GLU H H 7.60 . 1 1893 . 288 GLU N N 126.00 . 1 1894 . 288 GLU CA C 57.2 . 1 1895 . 288 GLU CB C 30.6 . 1 stop_ save_