data_5884 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Assignment of 1H, 13C and 15N resonances of the AXH domain of the transcription factor HBP1 ; _BMRB_accession_number 5884 _BMRB_flat_file_name bmr5884.str _Entry_type original _Submission_date 2003-07-28 _Accession_date 2003-07-28 _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 'de Chiara' Cesira . . 2 Kelly Geoff . . 3 Frenkiel Thomas A. . 4 Pastore Annalisa . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 821 "13C chemical shifts" 618 "15N chemical shifts" 142 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2005-02-28 update author 'update of the chemical shifts' 2004-02-13 original author 'original release' stop_ save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title ; Letter to Editor: Assignment of 1H, 13C and 15N resonances of the AXH domain of the transcription factor HBP1 ; _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 14872137 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 'de Chiara' Cesira . . 2 Kelly Geoff . . 3 Frenkiel Thomas A. . 4 Pastore Annalisa . . stop_ _Journal_abbreviation 'J. Biomol. NMR' _Journal_volume 28 _Journal_issue 4 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 411 _Page_last 412 _Year 2004 _Details . loop_ _Keyword HBP1 'AXH module' SCA1 'polyQ diseases' stop_ save_ ################################## # Molecular system description # ################################## save_system_HBP1_(AXH_domain) _Saveframe_category molecular_system _Mol_system_name 'HMG box containing protein 1 (AXH domain only)' _Abbreviation_common 'HBP1 (AXH domain)' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label 'AXH domain from HBP1' $HBP1 stop_ _System_molecular_weight . _System_physical_state native _System_oligomer_state monomer _System_paramagnetic no _System_thiol_state 'all free' loop_ _Biological_function 'transcription factor' stop_ _Database_query_date . _Details . save_ ######################## # Monomeric polymers # ######################## save_HBP1 _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common 'HMG box containing protein 1' _Abbreviation_common HBP1 _Molecular_mass . _Mol_thiol_state 'all free' _Details ; The sequence 208-345 of HBP1 includes the AXH domain (SM00536) found in ataxin-1 and HMG containing protein 1. ; ############################## # Polymer residue sequence # ############################## _Residue_count 138 _Mol_residue_sequence ; PSTIWHCFLKGTRLCFHKES NKEWQDVEDFARAASCDNEE EIQMGTHKGYGSDGLKLLSH EESVSFGESVLKLTFDPGTV EDGLLTVECKLDHPFYVKNK GWSSFYPSLTVVQHGIPCCE IHIGDVCLPPGHPDAINF ; loop_ _Residue_seq_code _Residue_author_seq_code _Residue_label 1 208 PRO 2 209 SER 3 210 THR 4 211 ILE 5 212 TRP 6 213 HIS 7 214 CYS 8 215 PHE 9 216 LEU 10 217 LYS 11 218 GLY 12 219 THR 13 220 ARG 14 221 LEU 15 222 CYS 16 223 PHE 17 224 HIS 18 225 LYS 19 226 GLU 20 227 SER 21 228 ASN 22 229 LYS 23 230 GLU 24 231 TRP 25 232 GLN 26 233 ASP 27 234 VAL 28 235 GLU 29 236 ASP 30 237 PHE 31 238 ALA 32 239 ARG 33 240 ALA 34 241 ALA 35 242 SER 36 243 CYS 37 244 ASP 38 245 ASN 39 246 GLU 40 247 GLU 41 248 GLU 42 249 ILE 43 250 GLN 44 251 MET 45 252 GLY 46 253 THR 47 254 HIS 48 255 LYS 49 256 GLY 50 257 TYR 51 258 GLY 52 259 SER 53 260 ASP 54 261 GLY 55 262 LEU 56 263 LYS 57 264 LEU 58 265 LEU 59 266 SER 60 267 HIS 61 268 GLU 62 269 GLU 63 270 SER 64 271 VAL 65 272 SER 66 273 PHE 67 274 GLY 68 275 GLU 69 276 SER 70 277 VAL 71 278 LEU 72 279 LYS 73 280 LEU 74 281 THR 75 282 PHE 76 283 ASP 77 284 PRO 78 285 GLY 79 286 THR 80 287 VAL 81 288 GLU 82 289 ASP 83 290 GLY 84 291 LEU 85 292 LEU 86 293 THR 87 294 VAL 88 295 GLU 89 296 CYS 90 297 LYS 91 298 LEU 92 299 ASP 93 300 HIS 94 301 PRO 95 302 PHE 96 303 TYR 97 304 VAL 98 305 LYS 99 306 ASN 100 307 LYS 101 308 GLY 102 309 TRP 103 310 SER 104 311 SER 105 312 PHE 106 313 TYR 107 314 PRO 108 315 SER 109 316 LEU 110 317 THR 111 318 VAL 112 319 VAL 113 320 GLN 114 321 HIS 115 322 GLY 116 323 ILE 117 324 PRO 118 325 CYS 119 326 CYS 120 327 GLU 121 328 ILE 122 329 HIS 123 330 ILE 124 331 GLY 125 332 ASP 126 333 VAL 127 334 CYS 128 335 LEU 129 336 PRO 130 337 PRO 131 338 GLY 132 339 HIS 133 340 PRO 134 341 ASP 135 342 ALA 136 343 ILE 137 344 ASN 138 345 PHE 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 1V06 "Axh Domain Of The Transcription Factor Hbp1 From M.Musculus" 100.00 142 100.00 100.00 5.73e-97 DBJ BAC26060 "unnamed protein product [Mus musculus]" 100.00 464 100.00 100.00 1.58e-95 DBJ BAC38611 "unnamed protein product [Mus musculus]" 100.00 339 100.00 100.00 2.53e-96 DBJ BAE21520 "unnamed protein product [Mus musculus]" 100.00 516 100.00 100.00 3.26e-95 DBJ BAE23919 "unnamed protein product [Mus musculus]" 100.00 474 100.00 100.00 2.28e-95 DBJ BAE24968 "unnamed protein product [Mus musculus]" 100.00 473 100.00 100.00 1.46e-95 GB AAA53240 "HMG-box containing protein 1 [Rattus norvegicus]" 100.00 513 97.10 98.55 4.39e-91 GB AAH26853 "High mobility group box transcription factor 1 [Mus musculus]" 100.00 516 100.00 100.00 3.26e-95 GB AAH91165 "HMG-box transcription factor 1 [Rattus norvegicus]" 100.00 513 97.83 98.55 2.30e-91 GB EDL36901 "high mobility group box transcription factor 1, isoform CRA_a [Mus musculus]" 100.00 478 100.00 100.00 1.77e-95 GB EDL36902 "high mobility group box transcription factor 1, isoform CRA_b [Mus musculus]" 100.00 534 100.00 100.00 3.79e-95 REF NP_037353 "HMG box-containing protein 1 [Rattus norvegicus]" 100.00 523 97.83 98.55 2.71e-91 REF NP_694878 "HMG box-containing protein 1 isoform 1 [Mus musculus]" 100.00 526 100.00 100.00 3.21e-95 REF NP_818774 "HMG box-containing protein 1 isoform 2 [Mus musculus]" 100.00 474 100.00 100.00 1.63e-95 REF XP_005343929 "PREDICTED: HMG box-containing protein 1 [Microtus ochrogaster]" 100.00 551 97.10 98.55 1.18e-92 REF XP_006240037 "PREDICTED: HMG box-containing protein 1 isoform X1 [Rattus norvegicus]" 100.00 525 97.83 98.55 2.36e-91 SP Q62661 "RecName: Full=HMG box-containing protein 1; AltName: Full=HMG box transcription factor 1; AltName: Full=High mobility group box" 100.00 513 97.83 98.55 2.30e-91 SP Q8R316 "RecName: Full=HMG box-containing protein 1; AltName: Full=HMG box transcription factor 1; AltName: Full=High mobility group box" 100.00 516 100.00 100.00 3.26e-95 stop_ save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species $HBP1 Mouse 10090 Eukaryota Metazoa Mus musculus 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 $HBP1 '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 $HBP1 0.7 mM '[U-99% 15N; U-99% 13C]' 'Tris HCl' 20 mM . NaCl 10 mM . H2O 90 % . D2O 10 % . stop_ save_ save_sample_2 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $HBP1 0.6 mM '[U-99% 15N]' 'Tris HCl' 20 mM . NaCl 10 mM . H2O 90 % . D2O 10 % . stop_ save_ ############################ # Computer software used # ############################ save_XEASY _Saveframe_category software _Name XEASY _Version . _Details . save_ save_NMRPipe _Saveframe_category software _Name NMRPipe _Version . _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Varian _Model INOVA _Field_strength 600 _Details . save_ save_NMR_spectrometer_2 _Saveframe_category NMR_spectrometer _Manufacturer Varian _Model INOVA _Field_strength 800 _Details . save_ ####################### # Sample conditions # ####################### save_condition_1 _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units pH 7.0 0.1 n/a temperature 303 1 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 _Reference_correction_type H2O H 1 protons ppm 4.725 internal direct . . . 1.0 H2O N 15 protons ppm 0.0 . indirect . . . 0.101329118 H2O C 13 protons ppm 0.0 . indirect . . . 0.251449530 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 $condition_1 _Chem_shift_reference_set_label $chemical_shift_reference _Mol_system_component_name 'AXH domain from HBP1' _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 PRO CA C 62.653 0.000 1 2 . 1 PRO HA H 4.479 0.000 1 3 . 1 PRO C C 176.171 0.000 1 4 . 1 PRO CB C 31.850 0.000 1 5 . 1 PRO HB2 H 2.040 0.000 1 6 . 1 PRO HB3 H 1.740 0.000 1 7 . 1 PRO CG C 27.008 0.000 1 8 . 1 PRO HG2 H 1.727 0.000 1 9 . 1 PRO HG3 H 1.554 0.000 1 10 . 1 PRO CD C 49.862 0.000 1 11 . 1 PRO HD2 H 3.499 0.000 1 12 . 1 PRO HD3 H 3.323 0.000 1 13 . 2 SER H H 8.553 0.000 1 14 . 2 SER N N 116.967 0.000 1 15 . 2 SER CA C 57.863 0.000 1 16 . 2 SER HA H 4.576 0.000 1 17 . 2 SER C C 173.949 0.000 1 18 . 2 SER CB C 62.875 0.000 1 19 . 2 SER HB2 H 3.964 0.000 1 20 . 2 SER HB3 H 3.855 0.000 1 21 . 3 THR H H 7.855 0.000 1 22 . 3 THR N N 115.467 0.000 1 23 . 3 THR CA C 61.026 0.000 1 24 . 3 THR HA H 4.178 0.000 1 25 . 3 THR C C 174.402 0.000 1 26 . 3 THR CB C 69.178 0.000 1 27 . 3 THR HB H 4.219 0.000 1 28 . 3 THR CG2 C 22.657 0.000 1 29 . 3 THR HG2 H 1.124 0.000 1 30 . 4 ILE H H 9.027 0.000 1 31 . 4 ILE N N 121.275 0.000 1 32 . 4 ILE CA C 60.118 0.000 1 33 . 4 ILE HA H 4.339 0.000 1 34 . 4 ILE C C 176.215 0.000 1 35 . 4 ILE CB C 37.743 0.000 1 36 . 4 ILE HB H 2.011 0.000 1 37 . 4 ILE CG2 C 18.944 0.000 1 38 . 4 ILE HG2 H 1.080 0.000 1 39 . 4 ILE CG1 C 27.295 0.000 1 40 . 4 ILE HG12 H 1.821 0.000 1 41 . 4 ILE HG13 H 1.410 0.000 1 42 . 4 ILE CD1 C 9.589 0.000 1 43 . 4 ILE HD1 H 0.883 0.000 1 44 . 5 TRP H H 7.173 0.000 1 45 . 5 TRP N N 118.514 0.000 1 46 . 5 TRP CA C 58.791 0.000 1 47 . 5 TRP HA H 4.568 0.000 1 48 . 5 TRP C C 174.103 0.000 1 49 . 5 TRP CB C 30.774 0.000 1 50 . 5 TRP HB2 H 3.495 0.000 1 51 . 5 TRP HB3 H 3.190 0.000 1 52 . 5 TRP CD1 C 126.768 0.000 1 53 . 5 TRP HD1 H 7.701 0.000 1 54 . 5 TRP NE1 N 130.782 0.000 1 55 . 5 TRP HE1 H 10.817 0.000 1 56 . 5 TRP CE3 C 121.814 0.000 1 57 . 5 TRP HE3 H 7.597 0.000 1 58 . 5 TRP CZ2 C 114.536 0.000 1 59 . 5 TRP HZ2 H 8.004 0.000 1 60 . 5 TRP CZ3 C 121.990 0.000 1 61 . 5 TRP HZ3 H 6.759 0.000 1 62 . 5 TRP CH2 C 123.851 0.000 1 63 . 5 TRP HH2 H 7.130 0.000 1 64 . 6 HIS H H 8.281 0.000 1 65 . 6 HIS N N 132.563 0.000 1 66 . 6 HIS CA C 59.867 0.000 1 67 . 6 HIS HA H 3.167 0.000 1 68 . 6 HIS C C 174.768 0.000 1 69 . 6 HIS CB C 29.397 0.000 1 70 . 6 HIS HB2 H 2.873 0.000 1 71 . 6 HIS HB3 H 0.857 0.000 1 72 . 6 HIS CD2 C 117.813 0.000 1 73 . 6 HIS HD2 H 6.963 0.000 1 74 . 6 HIS CE1 C 134.588 0.000 1 75 . 6 HIS HE1 H 6.990 0.000 1 76 . 7 CYS H H 9.915 0.000 1 77 . 7 CYS N N 123.576 0.000 1 78 . 7 CYS CA C 57.504 0.000 1 79 . 7 CYS HA H 4.673 0.000 1 80 . 7 CYS C C 173.638 0.000 1 81 . 7 CYS CB C 28.940 0.000 1 82 . 7 CYS HB2 H 3.447 0.000 1 83 . 7 CYS HB3 H 2.839 0.000 1 84 . 8 PHE H H 8.442 0.000 1 85 . 8 PHE N N 121.261 0.000 1 86 . 8 PHE CA C 59.909 0.000 1 87 . 8 PHE HA H 5.432 0.000 1 88 . 8 PHE C C 176.601 0.000 1 89 . 8 PHE CB C 40.544 0.000 1 90 . 8 PHE HB2 H 3.534 0.000 1 91 . 8 PHE HB3 H 3.534 0.000 1 92 . 8 PHE CD1 C 132.565 0.000 1 93 . 8 PHE HD1 H 7.532 0.000 1 94 . 8 PHE CD2 C 132.565 0.000 1 95 . 8 PHE HD2 H 7.532 0.000 1 96 . 8 PHE CE1 C 131.079 0.000 1 97 . 8 PHE HE1 H 6.941 0.000 1 98 . 8 PHE CE2 C 131.079 0.000 1 99 . 8 PHE HE2 H 6.941 0.000 1 100 . 8 PHE CZ C 128.944 0.000 1 101 . 8 PHE HZ H 6.322 0.000 1 102 . 9 LEU H H 11.088 0.000 1 103 . 9 LEU N N 125.545 0.000 1 104 . 9 LEU CA C 54.440 0.000 1 105 . 9 LEU HA H 4.540 0.000 1 106 . 9 LEU C C 178.141 0.000 1 107 . 9 LEU CB C 43.440 0.000 1 108 . 9 LEU HB2 H 1.841 0.000 1 109 . 9 LEU HB3 H 1.785 0.000 1 110 . 9 LEU CG C 27.295 0.000 1 111 . 9 LEU CD1 C 23.420 0.000 1 112 . 9 LEU HD1 H 0.598 0.000 1 113 . 9 LEU CD2 C 25.422 0.000 1 114 . 9 LEU HD2 H 0.373 0.000 1 115 . 9 LEU HG H 1.427 0.000 1 116 . 10 LYS H H 8.716 0.000 1 117 . 10 LYS N N 120.548 0.000 1 118 . 10 LYS CA C 58.959 0.000 1 119 . 10 LYS HA H 4.026 0.000 1 120 . 10 LYS C C 176.242 0.000 1 121 . 10 LYS CB C 33.004 0.000 1 122 . 10 LYS HB2 H 1.933 0.000 1 123 . 10 LYS HB3 H 1.836 0.000 1 124 . 10 LYS CG C 25.154 0.000 1 125 . 10 LYS HG2 H 1.619 0.000 1 126 . 10 LYS HG3 H 1.481 0.000 1 127 . 10 LYS CD C 29.703 0.000 1 128 . 10 LYS HD2 H 1.760 0.000 1 129 . 10 LYS HD3 H 1.760 0.000 1 130 . 10 LYS CE C 42.013 0.000 1 131 . 10 LYS HE2 H 3.080 0.000 1 132 . 10 LYS HE3 H 3.080 0.000 1 133 . 11 GLY H H 9.712 0.000 1 134 . 11 GLY N N 114.872 0.000 1 135 . 11 GLY CA C 44.956 0.000 1 136 . 11 GLY HA2 H 4.420 0.000 1 137 . 11 GLY HA3 H 3.827 0.000 1 138 . 11 GLY C C 174.576 0.000 1 139 . 12 THR H H 7.699 0.000 1 140 . 12 THR N N 118.438 0.000 1 141 . 12 THR CA C 63.984 0.000 1 142 . 12 THR HA H 4.908 0.000 1 143 . 12 THR C C 173.640 0.000 1 144 . 12 THR CB C 69.254 0.000 1 145 . 12 THR HB H 4.139 0.000 1 146 . 12 THR HG1 H 6.493 0.000 1 147 . 12 THR CG2 C 22.568 0.000 1 148 . 12 THR HG2 H 1.217 0.000 1 149 . 13 ARG H H 8.951 0.000 1 150 . 13 ARG N N 125.487 0.000 1 151 . 13 ARG CA C 54.695 0.000 1 152 . 13 ARG HA H 5.290 0.000 1 153 . 13 ARG C C 174.824 0.000 1 154 . 13 ARG CB C 34.520 0.000 1 155 . 13 ARG HB2 H 1.788 0.000 1 156 . 13 ARG HB3 H 1.636 0.000 1 157 . 13 ARG CG C 27.473 0.000 1 158 . 13 ARG HG2 H 1.734 0.000 1 159 . 13 ARG HG3 H 1.614 0.000 1 160 . 13 ARG CD C 43.975 0.000 1 161 . 13 ARG HD2 H 3.088 0.000 1 162 . 13 ARG HD3 H 3.088 0.000 1 163 . 13 ARG NE N 82.950 0.000 1 164 . 13 ARG HE H 6.998 0.000 1 165 . 14 LEU H H 9.544 0.000 1 166 . 14 LEU N N 120.343 0.000 1 167 . 14 LEU CA C 54.288 0.000 1 168 . 14 LEU HA H 4.635 0.000 1 169 . 14 LEU C C 175.795 0.000 1 170 . 14 LEU CB C 45.045 0.000 1 171 . 14 LEU HB2 H 1.488 0.000 1 172 . 14 LEU HB3 H 0.730 0.000 1 173 . 14 LEU CG C 27.415 0.000 1 174 . 14 LEU CD1 C 27.177 0.000 1 175 . 14 LEU HD1 H 0.362 0.000 1 176 . 14 LEU CD2 C 24.173 0.000 1 177 . 14 LEU HD2 H 0.341 0.000 1 178 . 14 LEU HG H 1.366 0.000 1 179 . 15 CYS H H 8.819 0.000 1 180 . 15 CYS N N 123.200 0.000 1 181 . 15 CYS CA C 54.946 0.000 1 182 . 15 CYS HA H 4.478 0.000 1 183 . 15 CYS C C 173.287 0.000 1 184 . 15 CYS CB C 41.031 0.000 1 185 . 15 CYS HB2 H 1.979 0.000 1 186 . 15 CYS HB3 H 0.985 0.000 1 187 . 16 PHE H H 8.622 0.000 1 188 . 16 PHE N N 128.763 0.000 1 189 . 16 PHE CA C 59.140 0.000 1 190 . 16 PHE HA H 4.421 0.000 1 191 . 16 PHE C C 176.683 0.000 1 192 . 16 PHE CB C 38.680 0.000 1 193 . 16 PHE HB2 H 3.186 0.000 1 194 . 16 PHE HB3 H 2.672 0.000 1 195 . 16 PHE CD1 C 131.479 0.000 1 196 . 16 PHE HD1 H 6.756 0.000 1 197 . 16 PHE CD2 C 131.479 0.000 1 198 . 16 PHE HD2 H 6.756 0.000 1 199 . 16 PHE CE1 C 131.061 0.000 1 200 . 16 PHE HE1 H 5.544 0.000 1 201 . 16 PHE CE2 C 131.061 0.000 1 202 . 16 PHE HE2 H 5.544 0.000 1 203 . 16 PHE CZ C 129.355 0.000 1 204 . 16 PHE HZ H 5.703 0.000 1 205 . 17 HIS H H 8.694 0.000 1 206 . 17 HIS N N 124.014 0.000 1 207 . 17 HIS CA C 59.000 0.000 1 208 . 17 HIS HA H 4.125 0.000 1 209 . 17 HIS C C 176.917 0.000 1 210 . 17 HIS CB C 30.994 0.000 1 211 . 17 HIS HB2 H 3.138 0.000 1 212 . 17 HIS HB3 H 3.138 0.000 1 213 . 17 HIS HD2 H 7.014 0.000 1 214 . 17 HIS CE1 C 137.169 0.000 1 215 . 17 HIS HE1 H 7.639 0.000 1 216 . 18 LYS H H 9.141 0.000 1 217 . 18 LYS N N 118.769 0.000 1 218 . 18 LYS CA C 57.482 0.000 1 219 . 18 LYS HA H 4.300 0.000 1 220 . 18 LYS C C 176.744 0.000 1 221 . 18 LYS CB C 33.162 0.000 1 222 . 18 LYS HB2 H 1.963 0.000 1 223 . 18 LYS HB3 H 1.918 0.000 1 224 . 18 LYS CG C 25.432 0.000 1 225 . 18 LYS HG2 H 1.511 0.000 1 226 . 18 LYS HG3 H 1.511 0.000 1 227 . 18 LYS CD C 29.610 0.000 1 228 . 18 LYS HD2 H 1.772 0.000 1 229 . 18 LYS HD3 H 1.772 0.000 1 230 . 18 LYS CE C 44.940 0.000 1 231 . 18 LYS HE2 H 3.080 0.000 1 232 . 18 LYS HE3 H 3.080 0.000 1 233 . 19 GLU H H 7.700 0.000 1 234 . 19 GLU N N 119.089 0.000 1 235 . 19 GLU CA C 55.839 0.000 1 236 . 19 GLU HA H 4.355 0.000 1 237 . 19 GLU C C 176.960 0.000 1 238 . 19 GLU CB C 29.846 0.000 1 239 . 19 GLU HB2 H 2.197 0.000 1 240 . 19 GLU HB3 H 1.994 0.000 1 241 . 19 GLU CG C 36.675 0.000 1 242 . 19 GLU HG2 H 2.360 0.000 1 243 . 19 GLU HG3 H 2.281 0.000 1 244 . 20 SER H H 8.253 0.000 1 245 . 20 SER N N 116.683 0.000 1 246 . 20 SER CA C 60.185 0.000 1 247 . 20 SER HA H 4.222 0.000 1 248 . 20 SER C C 175.137 0.000 1 249 . 20 SER CB C 63.162 0.000 1 250 . 20 SER HB2 H 3.926 0.000 1 251 . 20 SER HB3 H 3.926 0.000 1 252 . 21 ASN H H 8.386 0.000 1 253 . 21 ASN N N 119.394 0.000 1 254 . 21 ASN CA C 53.519 0.000 1 255 . 21 ASN HA H 4.652 0.000 1 256 . 21 ASN C C 174.894 0.000 1 257 . 21 ASN CB C 38.266 0.000 1 258 . 21 ASN HB2 H 2.832 0.000 1 259 . 21 ASN HB3 H 2.832 0.000 1 260 . 21 ASN ND2 N 113.629 0.000 1 261 . 21 ASN HD21 H 7.657 0.000 1 262 . 21 ASN HD22 H 6.945 0.000 1 263 . 22 LYS H H 7.958 0.000 1 264 . 22 LYS N N 119.997 0.000 1 265 . 22 LYS CA C 56.150 0.000 1 266 . 22 LYS HA H 4.154 0.000 1 267 . 22 LYS C C 175.145 0.000 1 268 . 22 LYS CB C 32.073 0.000 1 269 . 22 LYS HB2 H 1.753 0.000 1 270 . 22 LYS HB3 H 1.753 0.000 1 271 . 22 LYS CG C 24.956 0.000 1 272 . 22 LYS HG2 H 1.353 0.000 1 273 . 22 LYS HG3 H 1.353 0.000 1 274 . 22 LYS CD C 29.027 0.000 1 275 . 22 LYS HD2 H 1.574 0.000 1 276 . 22 LYS HD3 H 1.574 0.000 1 277 . 22 LYS CE C 42.191 0.000 1 278 . 22 LYS HE2 H 2.940 0.000 1 279 . 22 LYS HE3 H 2.940 0.000 1 280 . 23 GLU H H 7.796 0.000 1 281 . 23 GLU N N 119.212 0.000 1 282 . 23 GLU CA C 55.244 0.000 1 283 . 23 GLU HA H 4.266 0.000 1 284 . 23 GLU C C 175.279 0.000 1 285 . 23 GLU CB C 31.374 0.000 1 286 . 23 GLU HB2 H 2.053 0.000 1 287 . 23 GLU HB3 H 1.934 0.000 1 288 . 23 GLU CG C 36.227 0.000 1 289 . 23 GLU HG2 H 2.292 0.000 1 290 . 23 GLU HG3 H 2.204 0.000 1 291 . 24 TRP H H 8.184 0.000 1 292 . 24 TRP N N 122.074 0.000 1 293 . 24 TRP CA C 57.194 0.000 1 294 . 24 TRP HA H 4.599 0.000 1 295 . 24 TRP C C 177.139 0.000 1 296 . 24 TRP CB C 30.952 0.000 1 297 . 24 TRP HB2 H 3.107 0.000 1 298 . 24 TRP HB3 H 2.928 0.000 1 299 . 24 TRP CD1 C 127.877 0.000 1 300 . 24 TRP HD1 H 7.373 0.000 1 301 . 24 TRP NE1 N 129.567 0.000 1 302 . 24 TRP HE1 H 10.039 0.000 1 303 . 24 TRP CE3 C 120.115 0.000 1 304 . 24 TRP HE3 H 7.064 0.000 1 305 . 24 TRP CZ2 C 114.310 0.000 1 306 . 24 TRP HZ2 H 7.304 0.000 1 307 . 24 TRP CZ3 C 122.577 0.000 1 308 . 24 TRP HZ3 H 6.775 0.000 1 309 . 24 TRP CH2 C 123.430 0.000 1 310 . 24 TRP HH2 H 6.722 0.000 1 311 . 25 GLN H H 9.420 0.000 1 312 . 25 GLN N N 121.072 0.000 1 313 . 25 GLN CA C 54.442 0.000 1 314 . 25 GLN HA H 4.874 0.000 1 315 . 25 GLN C C 175.653 0.000 1 316 . 25 GLN CB C 32.838 0.000 1 317 . 25 GLN HB2 H 2.215 0.000 1 318 . 25 GLN HB3 H 1.942 0.000 1 319 . 25 GLN CG C 34.692 0.000 1 320 . 25 GLN HG2 H 2.470 0.000 1 321 . 25 GLN HG3 H 2.415 0.000 1 322 . 25 GLN NE2 N 111.442 0.000 1 323 . 25 GLN HE21 H 7.702 0.000 1 324 . 25 GLN HE22 H 7.002 0.000 1 325 . 26 ASP H H 9.502 0.000 1 326 . 26 ASP N N 127.042 0.000 1 327 . 26 ASP CA C 55.392 0.000 1 328 . 26 ASP HA H 4.743 0.000 1 329 . 26 ASP C C 178.311 0.000 1 330 . 26 ASP CB C 42.637 0.000 1 331 . 26 ASP HB2 H 2.951 0.000 1 332 . 26 ASP HB3 H 2.815 0.000 1 333 . 27 VAL H H 8.651 0.000 1 334 . 27 VAL N N 125.464 0.000 1 335 . 27 VAL CA C 65.446 0.000 1 336 . 27 VAL HA H 4.076 0.000 1 337 . 27 VAL C C 175.286 0.000 1 338 . 27 VAL CB C 32.078 0.000 1 339 . 27 VAL HB H 2.205 0.000 1 340 . 27 VAL CG1 C 22.976 0.000 1 341 . 27 VAL HG1 H 1.521 0.000 1 342 . 27 VAL CG2 C 20.879 0.000 1 343 . 27 VAL HG2 H 1.428 0.000 1 344 . 28 GLU H H 9.127 0.000 1 345 . 28 GLU N N 121.711 0.000 1 346 . 28 GLU CA C 60.380 0.000 1 347 . 28 GLU HA H 4.112 0.000 1 348 . 28 GLU C C 179.185 0.000 1 349 . 28 GLU CB C 29.898 0.000 1 350 . 28 GLU HB2 H 2.284 0.000 1 351 . 28 GLU HB3 H 2.145 0.000 1 352 . 28 GLU CG C 38.841 0.000 1 353 . 28 GLU HG2 H 2.529 0.000 1 354 . 28 GLU HG3 H 2.469 0.000 1 355 . 29 ASP H H 7.573 0.000 1 356 . 29 ASP N N 120.200 0.000 1 357 . 29 ASP CA C 57.087 0.000 1 358 . 29 ASP HA H 4.545 0.000 1 359 . 29 ASP C C 178.684 0.000 1 360 . 29 ASP CB C 40.496 0.000 1 361 . 29 ASP HB2 H 2.971 0.000 1 362 . 29 ASP HB3 H 2.873 0.000 1 363 . 30 PHE H H 8.392 0.000 1 364 . 30 PHE N N 121.914 0.000 1 365 . 30 PHE CA C 61.517 0.000 1 366 . 30 PHE HA H 4.061 0.000 1 367 . 30 PHE C C 176.889 0.000 1 368 . 30 PHE CB C 39.604 0.000 1 369 . 30 PHE HB2 H 2.839 0.000 1 370 . 30 PHE HB3 H 2.839 0.000 1 371 . 30 PHE CD1 C 131.065 0.000 1 372 . 30 PHE HD1 H 6.579 0.000 1 373 . 30 PHE CD2 C 131.065 0.000 1 374 . 30 PHE HD2 H 6.579 0.000 1 375 . 30 PHE CE1 C 131.065 0.000 1 376 . 30 PHE HE1 H 6.078 0.000 1 377 . 30 PHE CE2 C 131.065 0.000 1 378 . 30 PHE HE2 H 6.078 0.000 1 379 . 30 PHE CZ C 129.342 0.000 1 380 . 30 PHE HZ H 6.373 0.000 1 381 . 31 ALA H H 8.425 0.000 1 382 . 31 ALA N N 119.932 0.000 1 383 . 31 ALA CA C 54.494 0.000 1 384 . 31 ALA HA H 3.928 0.000 1 385 . 31 ALA C C 179.589 0.000 1 386 . 31 ALA CB C 19.356 0.000 1 387 . 31 ALA HB H 1.673 0.000 1 388 . 32 ARG H H 7.589 0.000 1 389 . 32 ARG N N 117.315 0.000 1 390 . 32 ARG CA C 58.213 0.000 1 391 . 32 ARG HA H 4.157 0.000 1 392 . 32 ARG C C 177.896 0.000 1 393 . 32 ARG CB C 30.423 0.000 1 394 . 32 ARG HB2 H 2.003 0.000 1 395 . 32 ARG HB3 H 1.946 0.000 1 396 . 32 ARG CG C 27.921 0.000 1 397 . 32 ARG HG2 H 1.833 0.000 1 398 . 32 ARG HG3 H 1.704 0.000 1 399 . 32 ARG CD C 43.462 0.000 1 400 . 32 ARG HD2 H 3.300 0.000 1 401 . 32 ARG HD3 H 3.300 0.000 1 402 . 32 ARG NE N 84.582 0.000 1 403 . 32 ARG HE H 7.322 0.000 1 404 . 33 ALA H H 7.635 0.000 1 405 . 33 ALA N N 122.881 0.000 1 406 . 33 ALA CA C 53.624 0.000 1 407 . 33 ALA HA H 4.186 0.000 1 408 . 33 ALA C C 178.461 0.000 1 409 . 33 ALA CB C 18.554 0.000 1 410 . 33 ALA HB H 1.353 0.000 1 411 . 34 ALA H H 7.916 0.000 1 412 . 34 ALA N N 120.927 0.000 1 413 . 34 ALA CA C 52.805 0.000 1 414 . 34 ALA HA H 4.136 0.000 1 415 . 34 ALA C C 178.115 0.000 1 416 . 34 ALA CB C 18.732 0.000 1 417 . 34 ALA HB H 1.126 0.000 1 418 . 35 SER H H 7.798 0.000 1 419 . 35 SER N N 113.488 0.000 1 420 . 35 SER CA C 58.833 0.000 1 421 . 35 SER HA H 4.490 0.000 1 422 . 35 SER C C 174.530 0.000 1 423 . 35 SER CB C 63.642 0.000 1 424 . 35 SER HB2 H 3.995 0.000 1 425 . 35 SER HB3 H 3.995 0.000 1 426 . 36 CYS H H 8.033 0.000 1 427 . 36 CYS N N 120.534 0.000 1 428 . 36 CYS CA C 58.519 0.000 1 429 . 36 CYS HA H 4.540 0.000 1 430 . 36 CYS C C 174.263 0.000 1 431 . 36 CYS CB C 28.308 0.000 1 432 . 36 CYS HB2 H 2.984 0.000 1 433 . 36 CYS HB3 H 2.984 0.000 1 434 . 37 ASP H H 8.376 0.000 1 435 . 37 ASP N N 122.437 0.000 1 436 . 37 ASP CA C 54.679 0.000 1 437 . 37 ASP HA H 4.635 0.000 1 438 . 37 ASP C C 175.725 0.000 1 439 . 37 ASP CB C 41.129 0.000 1 440 . 37 ASP HB2 H 2.733 0.000 1 441 . 37 ASP HB3 H 2.649 0.000 1 442 . 38 ASN H H 8.184 0.000 1 443 . 38 ASN N N 118.519 0.000 1 444 . 38 ASN CA C 53.239 0.000 1 445 . 38 ASN HA H 4.759 0.000 1 446 . 38 ASN C C 175.351 0.000 1 447 . 38 ASN CB C 39.165 0.000 1 448 . 38 ASN HB2 H 2.880 0.000 1 449 . 38 ASN HB3 H 2.802 0.000 1 450 . 38 ASN ND2 N 112.461 0.000 1 451 . 38 ASN HD21 H 7.634 0.000 1 452 . 38 ASN HD22 H 6.959 0.000 1 453 . 39 GLU H H 8.517 0.000 1 454 . 39 GLU N N 121.304 0.000 1 455 . 39 GLU CA C 57.513 0.000 1 456 . 39 GLU HA H 4.208 0.000 1 457 . 39 GLU C C 176.896 0.000 1 458 . 39 GLU CB C 30.091 0.000 1 459 . 39 GLU HB2 H 2.113 0.000 1 460 . 39 GLU HB3 H 2.001 0.000 1 461 . 39 GLU CG C 36.411 0.000 1 462 . 39 GLU HG2 H 2.311 0.000 1 463 . 39 GLU HG3 H 2.272 0.000 1 464 . 40 GLU H H 8.326 0.000 1 465 . 40 GLU N N 119.844 0.000 1 466 . 40 GLU CA C 57.309 0.000 1 467 . 40 GLU HA H 4.234 0.000 1 468 . 40 GLU C C 176.920 0.000 1 469 . 40 GLU CB C 30.348 0.000 1 470 . 40 GLU HB2 H 2.097 0.000 1 471 . 40 GLU HB3 H 1.981 0.000 1 472 . 40 GLU CG C 36.468 0.000 1 473 . 40 GLU HG2 H 2.313 0.000 1 474 . 40 GLU HG3 H 2.270 0.000 1 475 . 41 GLU H H 8.159 0.000 1 476 . 41 GLU N N 120.229 0.000 1 477 . 41 GLU CA C 57.008 0.000 1 478 . 41 GLU HA H 4.246 0.000 1 479 . 41 GLU C C 176.860 0.000 1 480 . 41 GLU CB C 30.445 0.000 1 481 . 41 GLU HB2 H 2.070 0.000 1 482 . 41 GLU HB3 H 1.992 0.000 1 483 . 41 GLU CG C 36.397 0.000 1 484 . 41 GLU HG2 H 2.291 0.000 1 485 . 41 GLU HG3 H 2.235 0.000 1 486 . 42 ILE H H 7.986 0.000 1 487 . 42 ILE N N 120.803 0.000 1 488 . 42 ILE CA C 61.695 0.000 1 489 . 42 ILE HA H 4.113 0.000 1 490 . 42 ILE C C 176.589 0.000 1 491 . 42 ILE CB C 38.547 0.000 1 492 . 42 ILE HB H 1.896 0.000 1 493 . 42 ILE CG2 C 17.691 0.000 1 494 . 42 ILE HG2 H 0.899 0.000 1 495 . 42 ILE CG1 C 28.157 0.000 1 496 . 42 ILE HG12 H 1.488 0.000 1 497 . 42 ILE HG13 H 1.176 0.000 1 498 . 42 ILE CD1 C 13.380 0.000 1 499 . 42 ILE HD1 H 0.868 0.000 1 500 . 43 GLN H H 8.364 0.000 1 501 . 43 GLN N N 123.390 0.000 1 502 . 43 GLN CA C 56.056 0.000 1 503 . 43 GLN HA H 4.330 0.000 1 504 . 43 GLN C C 176.237 0.000 1 505 . 43 GLN CB C 29.085 0.000 1 506 . 43 GLN HB2 H 2.139 0.000 1 507 . 43 GLN HB3 H 2.028 0.000 1 508 . 43 GLN CG C 33.922 0.000 1 509 . 43 GLN HG2 H 2.400 0.000 1 510 . 43 GLN HG3 H 2.400 0.000 1 511 . 43 GLN NE2 N 112.409 0.000 1 512 . 43 GLN HE21 H 7.506 0.000 1 513 . 43 GLN HE22 H 6.826 0.000 1 514 . 44 MET H H 8.331 0.000 1 515 . 44 MET N N 120.774 0.000 1 516 . 44 MET CA C 55.694 0.000 1 517 . 44 MET HA H 4.479 0.000 1 518 . 44 MET C C 176.722 0.000 1 519 . 44 MET CB C 32.944 0.000 1 520 . 44 MET HB2 H 2.102 0.000 1 521 . 44 MET HB3 H 2.062 0.000 1 522 . 44 MET CG C 32.291 0.000 1 523 . 44 MET HG2 H 2.634 0.000 1 524 . 44 MET HG3 H 2.556 0.000 1 525 . 44 MET CE C 16.770 0.000 1 526 . 44 MET HE H 2.041 0.000 1 527 . 45 GLY H H 8.417 0.000 1 528 . 45 GLY N N 109.568 0.000 1 529 . 45 GLY CA C 45.642 0.000 1 530 . 45 GLY HA2 H 3.960 0.000 1 531 . 45 GLY HA3 H 3.960 0.000 1 532 . 45 GLY C C 174.273 0.000 1 533 . 46 THR H H 7.857 0.000 1 534 . 46 THR N N 113.654 0.000 1 535 . 46 THR CA C 62.557 0.000 1 536 . 46 THR HA H 4.195 0.000 1 537 . 46 THR CB C 69.841 0.000 1 538 . 46 THR HB H 3.993 0.000 1 539 . 46 THR CG2 C 21.706 0.000 1 540 . 46 THR HG2 H 0.961 0.000 1 541 . 47 HIS CA C 55.791 0.000 1 542 . 47 HIS HA H 4.650 0.000 1 543 . 47 HIS C C 175.119 0.000 1 544 . 47 HIS CB C 29.590 0.000 1 545 . 47 HIS HB2 H 3.202 0.000 1 546 . 47 HIS HB3 H 3.072 0.000 1 547 . 47 HIS CD2 C 119.749 0.000 1 548 . 47 HIS HD2 H 6.821 0.000 1 549 . 47 HIS CE1 C 137.008 0.000 1 550 . 47 HIS HE1 H 8.142 0.000 1 551 . 48 LYS H H 8.338 0.000 1 552 . 48 LYS N N 122.008 0.000 1 553 . 48 LYS CA C 57.625 0.000 1 554 . 48 LYS HA H 4.315 0.000 1 555 . 48 LYS C C 177.552 0.000 1 556 . 48 LYS CB C 32.845 0.000 1 557 . 48 LYS HB2 H 1.918 0.000 1 558 . 48 LYS HB3 H 1.865 0.000 1 559 . 48 LYS CG C 25.169 0.000 1 560 . 48 LYS HG2 H 1.467 0.000 1 561 . 48 LYS HG3 H 1.467 0.000 1 562 . 48 LYS CD C 29.403 0.000 1 563 . 48 LYS HD2 H 1.733 0.000 1 564 . 48 LYS HD3 H 1.733 0.000 1 565 . 48 LYS CE C 42.637 0.000 1 566 . 48 LYS HE2 H 3.010 0.000 1 567 . 48 LYS HE3 H 3.010 0.000 1 568 . 49 GLY H H 8.776 0.000 1 569 . 49 GLY N N 110.587 0.000 1 570 . 49 GLY CA C 45.316 0.000 1 571 . 49 GLY HA2 H 4.170 0.000 1 572 . 49 GLY HA3 H 4.116 0.000 1 573 . 49 GLY C C 173.853 0.000 1 574 . 50 TYR H H 8.235 0.000 1 575 . 50 TYR N N 123.578 0.000 1 576 . 50 TYR CA C 60.167 0.000 1 577 . 50 TYR HA H 4.268 0.000 1 578 . 50 TYR C C 178.112 0.000 1 579 . 50 TYR CB C 39.248 0.000 1 580 . 50 TYR HB2 H 3.510 0.000 1 581 . 50 TYR HB3 H 3.445 0.000 1 582 . 50 TYR CD1 C 133.132 0.000 1 583 . 50 TYR HD1 H 7.301 0.000 1 584 . 50 TYR CD2 C 133.132 0.000 1 585 . 50 TYR HD2 H 7.301 0.000 1 586 . 50 TYR CE1 C 118.602 0.000 1 587 . 50 TYR HE1 H 6.906 0.000 1 588 . 50 TYR CE2 C 118.602 0.000 1 589 . 50 TYR HE2 H 6.906 0.000 1 590 . 51 GLY H H 9.228 0.000 1 591 . 51 GLY N N 115.278 0.000 1 592 . 51 GLY CA C 47.479 0.000 1 593 . 51 GLY HA2 H 3.885 0.000 1 594 . 51 GLY HA3 H 3.712 0.000 1 595 . 51 GLY C C 178.757 0.000 1 596 . 52 SER H H 8.232 0.000 1 597 . 52 SER N N 118.681 0.000 1 598 . 52 SER CA C 62.110 0.000 1 599 . 52 SER HA H 4.072 0.000 1 600 . 52 SER C C 174.320 0.000 1 601 . 52 SER CB C 62.760 0.000 1 602 . 52 SER HB2 H 4.050 0.000 1 603 . 52 SER HB3 H 4.050 0.000 1 604 . 53 ASP H H 8.488 0.000 1 605 . 53 ASP N N 119.626 0.000 1 606 . 53 ASP CA C 53.810 0.000 1 607 . 53 ASP HA H 5.243 0.000 1 608 . 53 ASP C C 175.664 0.000 1 609 . 53 ASP CB C 41.976 0.000 1 610 . 53 ASP HB2 H 2.954 0.000 1 611 . 53 ASP HB3 H 2.600 0.000 1 612 . 54 GLY H H 7.740 0.000 1 613 . 54 GLY N N 105.300 0.000 1 614 . 54 GLY CA C 43.563 0.000 1 615 . 54 GLY HA2 H 4.310 0.000 1 616 . 54 GLY HA3 H 3.690 0.000 1 617 . 54 GLY C C 172.203 0.000 1 618 . 55 LEU H H 8.681 0.000 1 619 . 55 LEU N N 120.680 0.000 1 620 . 55 LEU CA C 52.270 0.000 1 621 . 55 LEU HA H 4.651 0.000 1 622 . 55 LEU C C 174.726 0.000 1 623 . 55 LEU CB C 44.767 0.000 1 624 . 55 LEU HB2 H 1.323 0.000 1 625 . 55 LEU HB3 H 1.032 0.000 1 626 . 55 LEU CG C 26.042 0.000 1 627 . 55 LEU CD1 C 24.663 0.000 1 628 . 55 LEU HD1 H 0.831 0.000 1 629 . 55 LEU CD2 C 24.663 0.000 1 630 . 55 LEU HD2 H -0.036 0.000 1 631 . 55 LEU HG H 1.300 0.000 1 632 . 56 LYS H H 8.984 0.000 1 633 . 56 LYS N N 127.397 0.000 1 634 . 56 LYS CA C 56.157 0.000 1 635 . 56 LYS HA H 4.779 0.000 1 636 . 56 LYS C C 176.415 0.000 1 637 . 56 LYS CB C 33.966 0.000 1 638 . 56 LYS HB2 H 2.036 0.000 1 639 . 56 LYS HB3 H 1.877 0.000 1 640 . 56 LYS CG C 24.722 0.000 1 641 . 56 LYS HG2 H 1.304 0.000 1 642 . 56 LYS HG3 H 1.122 0.000 1 643 . 56 LYS CD C 29.717 0.000 1 644 . 56 LYS HD2 H 1.711 0.000 1 645 . 56 LYS HD3 H 1.711 0.000 1 646 . 56 LYS CE C 41.576 0.000 1 647 . 56 LYS HE2 H 2.992 0.000 1 648 . 56 LYS HE3 H 2.992 0.000 1 649 . 57 LEU H H 9.060 0.000 1 650 . 57 LEU N N 130.471 0.000 1 651 . 57 LEU CA C 56.021 0.000 1 652 . 57 LEU HA H 4.148 0.000 1 653 . 57 LEU C C 175.694 0.000 1 654 . 57 LEU CB C 42.340 0.000 1 655 . 57 LEU HB2 H 2.062 0.000 1 656 . 57 LEU HB3 H 1.310 0.000 1 657 . 57 LEU CG C 27.372 0.000 1 658 . 57 LEU CD1 C 26.770 0.000 1 659 . 57 LEU HD1 H 0.721 0.000 1 660 . 57 LEU CD2 C 24.211 0.000 1 661 . 57 LEU HD2 H 0.577 0.000 1 662 . 57 LEU HG H 1.302 0.000 1 663 . 58 LEU H H 9.348 0.000 1 664 . 58 LEU N N 128.844 0.000 1 665 . 58 LEU CA C 55.823 0.000 1 666 . 58 LEU HA H 4.576 0.000 1 667 . 58 LEU C C 177.366 0.000 1 668 . 58 LEU CB C 44.317 0.000 1 669 . 58 LEU HB2 H 1.580 0.000 1 670 . 58 LEU HB3 H 1.501 0.000 1 671 . 58 LEU CG C 26.363 0.000 1 672 . 58 LEU CD1 C 26.551 0.000 1 673 . 58 LEU HD1 H 0.932 0.000 1 674 . 58 LEU CD2 C 22.492 0.000 1 675 . 58 LEU HD2 H 0.879 0.000 1 676 . 58 LEU HG H 1.742 0.000 1 677 . 59 SER H H 7.382 0.000 1 678 . 59 SER N N 108.628 0.000 1 679 . 59 SER CA C 57.260 0.000 1 680 . 59 SER HA H 4.603 0.000 1 681 . 59 SER C C 171.262 0.000 1 682 . 59 SER CB C 64.811 0.000 1 683 . 59 SER HB2 H 3.832 0.000 1 684 . 59 SER HB3 H 3.756 0.000 1 685 . 60 HIS H H 8.612 0.000 1 686 . 60 HIS N N 120.338 0.000 1 687 . 60 HIS CA C 53.787 0.000 1 688 . 60 HIS HA H 5.243 0.000 1 689 . 60 HIS C C 172.123 0.000 1 690 . 60 HIS CB C 34.250 0.000 1 691 . 60 HIS HB2 H 2.957 0.000 1 692 . 60 HIS HB3 H 2.707 0.000 1 693 . 60 HIS CD2 C 120.368 0.000 1 694 . 60 HIS HD2 H 6.416 0.000 1 695 . 60 HIS CE1 C 138.137 0.000 1 696 . 60 HIS HE1 H 8.088 0.000 1 697 . 61 GLU H H 8.380 0.000 1 698 . 61 GLU N N 123.004 0.000 1 699 . 61 GLU CA C 54.536 0.000 1 700 . 61 GLU HA H 4.471 0.000 1 701 . 61 GLU C C 173.891 0.000 1 702 . 61 GLU CB C 33.718 0.000 1 703 . 61 GLU HB2 H 2.111 0.000 1 704 . 61 GLU HB3 H 1.981 0.000 1 705 . 61 GLU CG C 36.372 0.000 1 706 . 61 GLU HG2 H 2.206 0.000 1 707 . 61 GLU HG3 H 2.100 0.000 1 708 . 62 GLU H H 8.594 0.000 1 709 . 62 GLU N N 121.975 0.000 1 710 . 62 GLU CA C 55.604 0.000 1 711 . 62 GLU HA H 5.156 0.000 1 712 . 62 GLU C C 175.809 0.000 1 713 . 62 GLU CB C 31.919 0.000 1 714 . 62 GLU HB2 H 2.076 0.000 1 715 . 62 GLU HB3 H 1.866 0.000 1 716 . 62 GLU CG C 37.187 0.000 1 717 . 62 GLU HG2 H 2.310 0.000 1 718 . 62 GLU HG3 H 2.310 0.000 1 719 . 63 SER H H 8.820 0.000 1 720 . 63 SER N N 118.249 0.000 1 721 . 63 SER CA C 56.017 0.000 1 722 . 63 SER HA H 4.737 0.000 1 723 . 63 SER C C 173.197 0.000 1 724 . 63 SER CB C 64.724 0.000 1 725 . 63 SER HB2 H 3.621 0.000 1 726 . 63 SER HB3 H 3.454 0.000 1 727 . 64 VAL H H 8.240 0.000 1 728 . 64 VAL N N 121.660 0.000 1 729 . 64 VAL CA C 61.260 0.000 1 730 . 64 VAL HA H 4.780 0.000 1 731 . 64 VAL C C 175.870 0.000 1 732 . 64 VAL CB C 33.680 0.000 1 733 . 64 VAL HB H 1.824 0.000 1 734 . 64 VAL CG1 C 21.319 0.000 1 735 . 64 VAL HG1 H 0.838 0.000 1 736 . 64 VAL CG2 C 20.605 0.000 1 737 . 64 VAL HG2 H 0.715 0.000 1 738 . 65 SER H H 8.952 0.000 1 739 . 65 SER N N 122.089 0.000 1 740 . 65 SER CA C 56.641 0.000 1 741 . 65 SER HA H 4.421 0.000 1 742 . 65 SER C C 174.726 0.000 1 743 . 65 SER CB C 64.418 0.000 1 744 . 65 SER HB2 H 3.524 0.000 1 745 . 65 SER HB3 H 3.350 0.000 1 746 . 66 PHE H H 8.965 0.000 1 747 . 66 PHE N N 126.533 0.000 1 748 . 66 PHE CA C 59.300 0.000 1 749 . 66 PHE HA H 4.152 0.000 1 750 . 66 PHE C C 176.255 0.000 1 751 . 66 PHE CB C 36.510 0.000 1 752 . 66 PHE HB2 H 3.295 0.000 1 753 . 66 PHE HB3 H 3.099 0.000 1 754 . 66 PHE CD1 C 132.298 0.000 1 755 . 66 PHE HD1 H 7.225 0.000 1 756 . 66 PHE CD2 C 132.298 0.000 1 757 . 66 PHE HD2 H 7.225 0.000 1 758 . 66 PHE CE1 C 131.159 0.000 1 759 . 66 PHE HE1 H 7.262 0.000 1 760 . 66 PHE CE2 C 131.159 0.000 1 761 . 66 PHE HE2 H 7.262 0.000 1 762 . 66 PHE CZ C 128.965 0.000 1 763 . 66 PHE HZ H 7.260 0.000 1 764 . 67 GLY H H 8.273 0.000 1 765 . 67 GLY N N 103.660 0.000 1 766 . 67 GLY CA C 45.500 0.000 1 767 . 67 GLY HA2 H 4.172 0.000 1 768 . 67 GLY HA3 H 3.530 0.000 1 769 . 67 GLY C C 173.416 0.000 1 770 . 68 GLU H H 7.783 0.000 1 771 . 68 GLU N N 120.890 0.000 1 772 . 68 GLU CA C 54.298 0.000 1 773 . 68 GLU HA H 4.712 0.000 1 774 . 68 GLU C C 175.134 0.000 1 775 . 68 GLU CB C 32.600 0.000 1 776 . 68 GLU HB2 H 2.111 0.000 1 777 . 68 GLU HB3 H 1.934 0.000 1 778 . 68 GLU CG C 35.838 0.000 1 779 . 68 GLU HG2 H 2.281 0.000 1 780 . 68 GLU HG3 H 2.250 0.000 1 781 . 69 SER H H 8.704 0.000 1 782 . 69 SER N N 120.375 0.000 1 783 . 69 SER CA C 59.585 0.000 1 784 . 69 SER HA H 4.923 0.000 1 785 . 69 SER C C 173.283 0.000 1 786 . 69 SER CB C 63.762 0.000 1 787 . 69 SER HB2 H 3.872 0.000 1 788 . 69 SER HB3 H 3.742 0.000 1 789 . 70 VAL H H 8.644 0.000 1 790 . 70 VAL N N 117.493 0.000 1 791 . 70 VAL CA C 59.511 0.000 1 792 . 70 VAL HA H 4.734 0.000 1 793 . 70 VAL C C 174.895 0.000 1 794 . 70 VAL CB C 36.095 0.000 1 795 . 70 VAL HB H 2.190 0.000 1 796 . 70 VAL CG1 C 22.090 0.000 1 797 . 70 VAL HG1 H 0.811 0.000 1 798 . 70 VAL CG2 C 18.607 0.000 1 799 . 70 VAL HG2 H 0.512 0.000 1 800 . 71 LEU H H 8.970 0.000 1 801 . 71 LEU N N 119.982 0.000 1 802 . 71 LEU CA C 53.922 0.000 1 803 . 71 LEU HA H 4.719 0.000 1 804 . 71 LEU C C 175.797 0.000 1 805 . 71 LEU CB C 43.837 0.000 1 806 . 71 LEU HB2 H 2.061 0.000 1 807 . 71 LEU HB3 H 1.001 0.000 1 808 . 71 LEU CG C 26.847 0.000 1 809 . 71 LEU CD1 C 27.572 0.000 1 810 . 71 LEU HD1 H 1.052 0.000 1 811 . 71 LEU CD2 C 23.916 0.000 1 812 . 71 LEU HD2 H 0.690 0.000 1 813 . 71 LEU HG H 1.698 0.000 1 814 . 72 LYS H H 8.726 0.000 1 815 . 72 LYS N N 121.486 0.000 1 816 . 72 LYS CA C 54.744 0.000 1 817 . 72 LYS HA H 5.588 0.000 1 818 . 72 LYS C C 176.295 0.000 1 819 . 72 LYS CB C 33.930 0.000 1 820 . 72 LYS HB2 H 1.650 0.000 1 821 . 72 LYS HB3 H 1.520 0.000 1 822 . 72 LYS CG C 25.689 0.000 1 823 . 72 LYS HG2 H 1.344 0.000 1 824 . 72 LYS HG3 H 1.196 0.000 1 825 . 72 LYS CD C 29.793 0.000 1 826 . 72 LYS HD2 H 1.684 0.000 1 827 . 72 LYS HD3 H 1.684 0.000 1 828 . 72 LYS CE C 41.745 0.000 1 829 . 72 LYS HE2 H 2.890 0.000 1 830 . 72 LYS HE3 H 2.890 0.000 1 831 . 73 LEU H H 9.126 0.000 1 832 . 73 LEU N N 127.201 0.000 1 833 . 73 LEU CA C 52.623 0.000 1 834 . 73 LEU HA H 5.089 0.000 1 835 . 73 LEU C C 175.731 0.000 1 836 . 73 LEU CB C 45.177 0.000 1 837 . 73 LEU HB2 H 1.776 0.000 1 838 . 73 LEU HB3 H 0.816 0.000 1 839 . 73 LEU CG C 28.101 0.000 1 840 . 73 LEU CD1 C 26.860 0.000 1 841 . 73 LEU HD1 H 1.641 0.000 1 842 . 73 LEU CD2 C 25.756 0.000 1 843 . 73 LEU HD2 H 0.689 0.000 1 844 . 73 LEU HG H 0.999 0.000 1 845 . 74 THR H H 7.801 0.000 1 846 . 74 THR N N 116.923 0.000 1 847 . 74 THR CA C 62.340 0.000 1 848 . 74 THR HA H 5.513 0.000 1 849 . 74 THR C C 172.584 0.000 1 850 . 74 THR CB C 69.853 0.000 1 851 . 74 THR HB H 3.989 0.000 1 852 . 74 THR CG2 C 22.032 0.000 1 853 . 74 THR HG2 H 1.183 0.000 1 854 . 75 PHE H H 10.003 0.000 1 855 . 75 PHE N N 125.160 0.000 1 856 . 75 PHE CA C 56.552 0.000 1 857 . 75 PHE HA H 5.618 0.000 1 858 . 75 PHE C C 173.688 0.000 1 859 . 75 PHE CB C 46.294 0.000 1 860 . 75 PHE HB2 H 2.910 0.000 1 861 . 75 PHE HB3 H 2.871 0.000 1 862 . 75 PHE CD1 C 131.976 0.000 1 863 . 75 PHE HD1 H 6.870 0.000 1 864 . 75 PHE CD2 C 131.976 0.000 1 865 . 75 PHE HD2 H 6.870 0.000 1 866 . 75 PHE CE1 C 131.766 0.000 1 867 . 75 PHE HE1 H 7.345 0.000 1 868 . 75 PHE CE2 C 131.766 0.000 1 869 . 75 PHE HE2 H 7.345 0.000 1 870 . 75 PHE CZ C 129.342 0.000 1 871 . 75 PHE HZ H 6.830 0.000 1 872 . 76 ASP H H 9.216 0.000 1 873 . 76 ASP N N 118.222 0.000 1 874 . 76 ASP CA C 49.479 0.000 1 875 . 76 ASP HA H 5.466 0.000 1 876 . 76 ASP CB C 45.502 0.000 1 877 . 76 ASP HB2 H 2.951 0.000 1 878 . 76 ASP HB3 H 2.641 0.000 1 879 . 77 PRO CA C 63.700 0.000 1 880 . 77 PRO HA H 4.906 0.000 1 881 . 77 PRO C C 176.743 0.000 1 882 . 77 PRO CB C 31.891 0.000 1 883 . 77 PRO HB2 H 2.204 0.000 1 884 . 77 PRO HB3 H 1.408 0.000 1 885 . 77 PRO CG C 27.206 0.000 1 886 . 77 PRO HG2 H 2.208 0.000 1 887 . 77 PRO HG3 H 1.930 0.000 1 888 . 77 PRO CD C 51.281 0.000 1 889 . 77 PRO HD2 H 4.360 0.000 1 890 . 77 PRO HD3 H 3.998 0.000 1 891 . 78 GLY H H 9.111 0.000 1 892 . 78 GLY N N 111.779 0.000 1 893 . 78 GLY CA C 46.163 0.000 1 894 . 78 GLY HA2 H 4.245 0.000 1 895 . 78 GLY HA3 H 3.596 0.000 1 896 . 78 GLY C C 173.982 0.000 1 897 . 79 THR H H 6.983 0.000 1 898 . 79 THR N N 111.036 0.000 1 899 . 79 THR CA C 59.434 0.000 1 900 . 79 THR HA H 4.660 0.000 1 901 . 79 THR C C 175.825 0.000 1 902 . 79 THR CB C 70.101 0.000 1 903 . 79 THR HB H 4.334 0.000 1 904 . 79 THR CG2 C 22.700 0.000 1 905 . 79 THR HG2 H 1.223 0.000 1 906 . 80 VAL H H 8.694 0.000 1 907 . 80 VAL N N 125.549 0.000 1 908 . 80 VAL CA C 65.059 0.000 1 909 . 80 VAL HA H 3.889 0.000 1 910 . 80 VAL C C 178.574 0.000 1 911 . 80 VAL CB C 32.006 0.000 1 912 . 80 VAL HB H 2.133 0.000 1 913 . 80 VAL CG1 C 21.676 0.000 1 914 . 80 VAL HG1 H 1.080 0.000 1 915 . 80 VAL CG2 C 20.860 0.000 1 916 . 80 VAL HG2 H 1.011 0.000 1 917 . 81 GLU H H 9.085 0.000 1 918 . 81 GLU N N 119.038 0.000 1 919 . 81 GLU CA C 58.842 0.000 1 920 . 81 GLU HA H 4.157 0.000 1 921 . 81 GLU C C 177.365 0.000 1 922 . 81 GLU CB C 29.450 0.000 1 923 . 81 GLU HB2 H 2.085 0.000 1 924 . 81 GLU HB3 H 2.044 0.000 1 925 . 81 GLU CG C 36.752 0.000 1 926 . 81 GLU HG2 H 2.401 0.000 1 927 . 81 GLU HG3 H 2.330 0.000 1 928 . 82 ASP H H 7.294 0.000 1 929 . 82 ASP N N 116.845 0.000 1 930 . 82 ASP CA C 56.284 0.000 1 931 . 82 ASP HA H 4.816 0.000 1 932 . 82 ASP C C 177.598 0.000 1 933 . 82 ASP CB C 42.191 0.000 1 934 . 82 ASP HB2 H 3.113 0.000 1 935 . 82 ASP HB3 H 2.582 0.000 1 936 . 83 GLY H H 7.507 0.000 1 937 . 83 GLY N N 105.133 0.000 1 938 . 83 GLY CA C 44.677 0.000 1 939 . 83 GLY HA2 H 4.313 0.000 1 940 . 83 GLY HA3 H 4.111 0.000 1 941 . 83 GLY C C 172.663 0.000 1 942 . 84 LEU H H 8.253 0.000 1 943 . 84 LEU N N 116.989 0.000 1 944 . 84 LEU CA C 55.303 0.000 1 945 . 84 LEU HA H 4.514 0.000 1 946 . 84 LEU C C 175.664 0.000 1 947 . 84 LEU CB C 42.160 0.000 1 948 . 84 LEU HB2 H 0.911 0.000 1 949 . 84 LEU HB3 H 0.680 0.000 1 950 . 84 LEU CG C 27.008 0.000 1 951 . 84 LEU CD1 C 22.730 0.000 1 952 . 84 LEU HD1 H 0.864 0.000 1 953 . 84 LEU CD2 C 25.389 0.000 1 954 . 84 LEU HD2 H 0.700 0.000 1 955 . 84 LEU HG H 1.705 0.000 1 956 . 85 LEU H H 8.141 0.000 1 957 . 85 LEU N N 122.822 0.000 1 958 . 85 LEU CA C 54.054 0.000 1 959 . 85 LEU HA H 4.862 0.000 1 960 . 85 LEU C C 175.210 0.000 1 961 . 85 LEU CB C 45.665 0.000 1 962 . 85 LEU HB2 H 1.826 0.000 1 963 . 85 LEU HB3 H 1.626 0.000 1 964 . 85 LEU CG C 27.652 0.000 1 965 . 85 LEU CD1 C 26.314 0.000 1 966 . 85 LEU HD1 H 0.681 0.000 1 967 . 85 LEU CD2 C 20.784 0.000 1 968 . 85 LEU HD2 H -0.438 0.000 1 969 . 85 LEU HG H 1.122 0.000 1 970 . 86 THR H H 9.072 0.000 1 971 . 86 THR N N 125.211 0.000 1 972 . 86 THR CA C 61.731 0.000 1 973 . 86 THR HA H 5.915 0.000 1 974 . 86 THR C C 172.499 0.000 1 975 . 86 THR CB C 71.328 0.000 1 976 . 86 THR HB H 3.769 0.000 1 977 . 86 THR CG2 C 22.660 0.000 1 978 . 86 THR HG2 H 1.368 0.000 1 979 . 87 VAL H H 9.556 0.000 1 980 . 87 VAL N N 120.075 0.000 1 981 . 87 VAL CA C 58.249 0.000 1 982 . 87 VAL HA H 5.636 0.000 1 983 . 87 VAL C C 174.817 0.000 1 984 . 87 VAL CB C 34.788 0.000 1 985 . 87 VAL HB H 2.001 0.000 1 986 . 87 VAL CG1 C 20.950 0.000 1 987 . 87 VAL HG1 H 0.945 0.000 1 988 . 87 VAL CG2 C 21.933 0.000 1 989 . 87 VAL HG2 H 0.484 0.000 1 990 . 88 GLU H H 8.695 0.000 1 991 . 88 GLU N N 121.989 0.000 1 992 . 88 GLU CA C 54.331 0.000 1 993 . 88 GLU HA H 5.859 0.000 1 994 . 88 GLU C C 176.108 0.000 1 995 . 88 GLU CB C 33.246 0.000 2 996 . 88 GLU HB2 H 1.571 0.000 1 997 . 88 GLU HB3 H 1.491 0.000 1 998 . 88 GLU CG C 37.228 0.000 2 999 . 88 GLU HG2 H 1.968 0.000 1 1000 . 88 GLU HG3 H 1.852 0.000 1 1001 . 89 CYS H H 9.124 0.000 1 1002 . 89 CYS N N 119.423 0.000 1 1003 . 89 CYS CA C 55.481 0.000 1 1004 . 89 CYS HA H 5.411 0.000 1 1005 . 89 CYS C C 172.497 0.000 1 1006 . 89 CYS CB C 33.572 0.000 1 1007 . 89 CYS HB2 H 3.420 0.000 2 1008 . 89 CYS HB3 H 2.904 0.000 1 1009 . 90 LYS H H 8.396 0.000 1 1010 . 90 LYS N N 118.438 0.000 1 1011 . 90 LYS CA C 56.312 0.000 1 1012 . 90 LYS HA H 4.548 0.000 1 1013 . 90 LYS C C 178.151 0.000 1 1014 . 90 LYS CB C 33.051 0.000 1 1015 . 90 LYS HB2 H 2.193 0.000 1 1016 . 90 LYS HB3 H 1.986 0.000 1 1017 . 90 LYS CG C 25.511 0.000 1 1018 . 90 LYS HG2 H 1.821 0.000 1 1019 . 90 LYS HG3 H 1.739 0.000 1 1020 . 90 LYS CD C 28.633 0.000 1 1021 . 90 LYS HD2 H 1.863 0.000 1 1022 . 90 LYS HD3 H 1.863 0.000 1 1023 . 90 LYS CE C 41.201 0.000 1 1024 . 90 LYS HE2 H 3.112 0.000 1 1025 . 90 LYS HE3 H 3.112 0.000 1 1026 . 91 LEU H H 8.299 0.000 1 1027 . 91 LEU N N 117.265 0.000 1 1028 . 91 LEU CA C 58.514 0.000 1 1029 . 91 LEU HA H 4.033 0.000 1 1030 . 91 LEU C C 176.996 0.000 1 1031 . 91 LEU CB C 41.710 0.000 1 1032 . 91 LEU HB2 H 1.528 0.000 1 1033 . 91 LEU HB3 H 1.331 0.000 1 1034 . 91 LEU CG C 27.473 0.000 1 1035 . 91 LEU CD1 C 23.014 0.000 1 1036 . 91 LEU HD1 H 0.631 0.000 1 1037 . 91 LEU CD2 C 24.887 0.000 1 1038 . 91 LEU HD2 H 0.587 0.000 1 1039 . 91 LEU HG H 1.734 0.000 1 1040 . 92 ASP H H 7.683 0.000 1 1041 . 92 ASP N N 108.883 0.000 1 1042 . 92 ASP CA C 52.181 0.000 1 1043 . 92 ASP HA H 4.417 0.000 1 1044 . 92 ASP C C 177.842 0.000 1 1045 . 92 ASP CB C 42.122 0.000 1 1046 . 92 ASP HB2 H 2.726 0.000 1 1047 . 92 ASP HB3 H 2.372 0.000 1 1048 . 93 HIS H H 7.755 0.000 1 1049 . 93 HIS N N 125.044 0.000 1 1050 . 93 HIS CA C 56.745 0.000 1 1051 . 93 HIS HA H 4.115 0.000 1 1052 . 93 HIS CB C 30.292 0.000 1 1053 . 93 HIS HB2 H 3.576 0.000 1 1054 . 93 HIS HB3 H 3.315 0.000 1 1055 . 93 HIS CD2 C 128.942 0.000 1 1056 . 93 HIS HD2 H 7.388 0.000 1 1057 . 93 HIS CE1 C 140.556 0.000 1 1058 . 93 HIS HE1 H 7.878 0.000 1 1059 . 93 HIS ND1 N 165.700 0.000 1 1060 . 93 HIS HD1 H 9.190 0.000 1 1061 . 94 PRO CA C 61.455 0.000 1 1062 . 94 PRO HA H 5.215 0.000 1 1063 . 94 PRO C C 176.680 0.000 1 1064 . 94 PRO CB C 32.242 0.000 1 1065 . 94 PRO HB2 H 2.062 0.000 1 1066 . 94 PRO HB3 H 1.700 0.000 1 1067 . 94 PRO CG C 25.779 0.000 1 1068 . 94 PRO HG2 H 1.576 0.000 1 1069 . 94 PRO HG3 H 0.954 0.000 1 1070 . 94 PRO CD C 49.416 0.000 1 1071 . 94 PRO HD2 H 3.165 0.000 1 1072 . 94 PRO HD3 H 2.707 0.000 1 1073 . 95 PHE H H 9.352 0.000 1 1074 . 95 PHE N N 117.668 0.000 1 1075 . 95 PHE CA C 57.967 0.000 1 1076 . 95 PHE HA H 4.806 0.000 1 1077 . 95 PHE C C 172.750 0.000 1 1078 . 95 PHE CB C 44.227 0.000 1 1079 . 95 PHE HB2 H 2.978 0.000 1 1080 . 95 PHE HB3 H 2.490 0.000 1 1081 . 95 PHE CD1 C 131.922 0.000 1 1082 . 95 PHE HD1 H 7.230 0.000 1 1083 . 95 PHE CD2 C 131.922 0.000 1 1084 . 95 PHE HD2 H 7.230 0.000 1 1085 . 95 PHE CE1 C 130.841 0.000 1 1086 . 95 PHE HE1 H 7.305 0.000 1 1087 . 95 PHE CE2 C 130.841 0.000 1 1088 . 95 PHE HE2 H 7.305 0.000 1 1089 . 95 PHE CZ C 129.355 0.000 1 1090 . 95 PHE HZ H 7.190 0.000 1 1091 . 96 TYR H H 10.145 0.000 1 1092 . 96 TYR N N 129.024 0.000 1 1093 . 96 TYR CA C 58.379 0.000 1 1094 . 96 TYR HA H 3.426 0.000 1 1095 . 96 TYR C C 174.218 0.000 1 1096 . 96 TYR CB C 37.852 0.000 1 1097 . 96 TYR HB2 H 2.702 0.000 1 1098 . 96 TYR HB3 H 0.810 0.000 1 1099 . 96 TYR CD1 C 131.946 0.000 1 1100 . 96 TYR HD1 H 5.520 0.000 1 1101 . 96 TYR CD2 C 131.946 0.000 1 1102 . 96 TYR HD2 H 5.520 0.000 1 1103 . 96 TYR CE1 C 118.608 0.000 1 1104 . 96 TYR HE1 H 6.513 0.000 1 1105 . 96 TYR CE2 C 118.608 0.000 1 1106 . 96 TYR HE2 H 6.513 0.000 1 1107 . 97 VAL H H 7.558 0.000 1 1108 . 97 VAL N N 129.912 0.000 1 1109 . 97 VAL CA C 60.476 0.000 1 1110 . 97 VAL HA H 4.681 0.000 1 1111 . 97 VAL C C 176.345 0.000 1 1112 . 97 VAL CB C 32.862 0.000 1 1113 . 97 VAL HB H 1.796 0.000 1 1114 . 97 VAL CG1 C 22.008 0.000 1 1115 . 97 VAL HG1 H 0.964 0.000 1 1116 . 97 VAL CG2 C 22.815 0.000 1 1117 . 97 VAL HG2 H 0.877 0.000 1 1118 . 98 LYS H H 8.855 0.000 1 1119 . 98 LYS N N 130.653 0.000 1 1120 . 98 LYS CA C 58.247 0.000 1 1121 . 98 LYS HA H 3.819 0.000 1 1122 . 98 LYS C C 176.480 0.000 1 1123 . 98 LYS CB C 33.394 0.000 1 1124 . 98 LYS HB2 H 1.887 0.000 1 1125 . 98 LYS HB3 H 1.450 0.000 1 1126 . 98 LYS CG C 25.243 0.000 1 1127 . 98 LYS HG2 H 1.412 0.000 1 1128 . 98 LYS HG3 H 1.364 0.000 1 1129 . 98 LYS CD C 29.793 0.000 1 1130 . 98 LYS HD2 H 1.648 0.000 1 1131 . 98 LYS HD3 H 1.648 0.000 1 1132 . 98 LYS CE C 42.013 0.000 1 1133 . 98 LYS HE2 H 2.985 0.000 1 1134 . 98 LYS HE3 H 2.985 0.000 1 1135 . 99 ASN H H 9.285 0.000 1 1136 . 99 ASN N N 120.404 0.000 1 1137 . 99 ASN CA C 55.481 0.000 1 1138 . 99 ASN HA H 4.324 0.000 1 1139 . 99 ASN C C 173.341 0.000 1 1140 . 99 ASN CB C 37.382 0.000 1 1141 . 99 ASN HB2 H 3.149 0.000 1 1142 . 99 ASN HB3 H 3.087 0.000 1 1143 . 99 ASN ND2 N 112.692 0.000 1 1144 . 99 ASN HD21 H 7.659 0.000 1 1145 . 99 ASN HD22 H 7.052 0.000 1 1146 . 100 LYS H H 7.852 0.000 1 1147 . 100 LYS N N 119.597 0.000 1 1148 . 100 LYS CA C 58.068 0.000 1 1149 . 100 LYS HA H 4.325 0.000 1 1150 . 100 LYS C C 175.324 0.000 1 1151 . 100 LYS CB C 35.307 0.000 1 1152 . 100 LYS HB2 H 1.462 0.000 1 1153 . 100 LYS HB3 H 1.349 0.000 1 1154 . 100 LYS CG C 24.708 0.000 1 1155 . 100 LYS HG2 H 1.331 0.000 1 1156 . 100 LYS HG3 H 1.071 0.000 1 1157 . 100 LYS CD C 29.882 0.000 1 1158 . 100 LYS HD2 H 1.560 0.000 1 1159 . 100 LYS HD3 H 1.560 0.000 1 1160 . 100 LYS CE C 41.656 0.000 1 1161 . 100 LYS HE2 H 2.855 0.000 1 1162 . 100 LYS HE3 H 2.855 0.000 1 1163 . 101 GLY H H 8.744 0.000 1 1164 . 101 GLY N N 107.481 0.000 1 1165 . 101 GLY CA C 42.141 0.000 1 1166 . 101 GLY HA2 H 4.154 0.000 1 1167 . 101 GLY HA3 H 2.222 0.000 1 1168 . 101 GLY C C 175.012 0.000 1 1169 . 102 TRP H H 8.351 0.000 1 1170 . 102 TRP N N 125.008 0.000 1 1171 . 102 TRP CA C 59.476 0.000 1 1172 . 102 TRP HA H 4.641 0.000 1 1173 . 102 TRP C C 177.492 0.000 1 1174 . 102 TRP CB C 29.791 0.000 1 1175 . 102 TRP HB2 H 3.332 0.000 1 1176 . 102 TRP HB3 H 3.125 0.000 1 1177 . 102 TRP CD1 C 127.075 0.000 1 1178 . 102 TRP HD1 H 7.396 0.000 1 1179 . 102 TRP NE1 N 127.710 0.000 1 1180 . 102 TRP HE1 H 10.254 0.000 1 1181 . 102 TRP CE3 C 119.682 0.000 1 1182 . 102 TRP HE3 H 7.244 0.000 1 1183 . 102 TRP CZ2 C 113.942 0.000 1 1184 . 102 TRP HZ2 H 7.001 0.000 1 1185 . 102 TRP CZ3 C 121.175 0.000 1 1186 . 102 TRP HZ3 H 6.455 0.000 1 1187 . 102 TRP CH2 C 124.795 0.000 1 1188 . 102 TRP HH2 H 6.477 0.000 1 1189 . 103 SER H H 10.072 0.000 1 1190 . 103 SER N N 119.958 0.000 1 1191 . 103 SER CA C 57.951 0.000 1 1192 . 103 SER HA H 5.643 0.000 1 1193 . 103 SER C C 171.748 0.000 1 1194 . 103 SER CB C 67.511 0.000 1 1195 . 103 SER HB2 H 3.427 0.000 1 1196 . 103 SER HB3 H 3.301 0.000 1 1197 . 104 SER H H 8.704 0.000 1 1198 . 104 SER N N 115.846 0.000 1 1199 . 104 SER CA C 56.311 0.000 1 1200 . 104 SER HA H 4.910 0.000 1 1201 . 104 SER C C 174.106 0.000 1 1202 . 104 SER CB C 65.704 0.000 1 1203 . 104 SER HB2 H 4.503 0.000 1 1204 . 104 SER HB3 H 3.330 0.000 1 1205 . 105 PHE H H 10.252 0.000 1 1206 . 105 PHE N N 124.303 0.000 1 1207 . 105 PHE CA C 61.665 0.000 1 1208 . 105 PHE HA H 4.116 0.000 1 1209 . 105 PHE C C 175.982 0.000 1 1210 . 105 PHE CB C 39.553 0.000 1 1211 . 105 PHE HB2 H 3.122 0.000 1 1212 . 105 PHE HB3 H 2.861 0.000 1 1213 . 105 PHE CD1 C 132.444 0.000 1 1214 . 105 PHE HD1 H 7.396 0.000 1 1215 . 105 PHE CD2 C 132.444 0.000 1 1216 . 105 PHE HD2 H 7.396 0.000 1 1217 . 105 PHE CE1 C 130.707 0.000 1 1218 . 105 PHE HE1 H 6.571 0.000 1 1219 . 105 PHE CE2 C 130.707 0.000 1 1220 . 105 PHE HE2 H 6.571 0.000 1 1221 . 105 PHE CZ C 129.424 0.000 1 1222 . 105 PHE HZ H 6.711 0.000 1 1223 . 106 TYR H H 8.520 0.000 1 1224 . 106 TYR N N 116.669 0.000 1 1225 . 106 TYR CA C 56.174 0.000 1 1226 . 106 TYR HA H 4.764 0.000 1 1227 . 106 TYR CB C 40.637 0.000 1 1228 . 106 TYR HB2 H 3.070 0.000 1 1229 . 106 TYR HB3 H 2.713 0.000 1 1230 . 106 TYR CD1 C 133.727 0.000 1 1231 . 106 TYR HD1 H 7.307 0.000 1 1232 . 106 TYR CD2 C 133.727 0.000 1 1233 . 106 TYR HD2 H 7.307 0.000 1 1234 . 106 TYR CE1 C 118.202 0.000 1 1235 . 106 TYR HE1 H 6.868 0.000 1 1236 . 106 TYR CE2 C 118.202 0.000 1 1237 . 106 TYR HE2 H 6.868 0.000 1 1238 . 107 PRO CA C 66.544 0.000 1 1239 . 107 PRO HA H 4.022 0.000 1 1240 . 107 PRO C C 178.738 0.000 1 1241 . 107 PRO CB C 32.287 0.000 1 1242 . 107 PRO HB2 H 2.487 0.000 1 1243 . 107 PRO HB3 H 2.021 0.000 1 1244 . 107 PRO CG C 27.083 0.000 1 1245 . 107 PRO HG2 H 2.032 0.000 1 1246 . 107 PRO HG3 H 1.645 0.000 1 1247 . 107 PRO CD C 49.026 0.000 1 1248 . 107 PRO HD2 H 3.711 0.000 1 1249 . 107 PRO HD3 H 3.412 0.000 1 1250 . 108 SER H H 8.709 0.000 1 1251 . 108 SER N N 111.847 0.000 1 1252 . 108 SER CA C 61.499 0.000 1 1253 . 108 SER HA H 4.293 0.000 1 1254 . 108 SER C C 176.284 0.000 1 1255 . 108 SER CB C 62.195 0.000 1 1256 . 108 SER HB2 H 3.995 0.000 1 1257 . 108 SER HB3 H 3.995 0.000 1 1258 . 109 LEU H H 7.602 0.000 1 1259 . 109 LEU N N 121.893 0.000 1 1260 . 109 LEU CA C 56.659 0.000 1 1261 . 109 LEU HA H 4.458 0.000 1 1262 . 109 LEU C C 179.627 0.000 1 1263 . 109 LEU CB C 42.135 0.000 1 1264 . 109 LEU HB2 H 1.969 0.000 1 1265 . 109 LEU HB3 H 1.793 0.000 1 1266 . 109 LEU CG C 27.446 0.000 1 1267 . 109 LEU CD1 C 22.923 0.000 1 1268 . 109 LEU HD1 H 0.842 0.000 1 1269 . 109 LEU CD2 C 24.630 0.000 1 1270 . 109 LEU HD2 H 0.791 0.000 1 1271 . 109 LEU HG H 1.737 0.000 1 1272 . 110 THR H H 8.528 0.000 1 1273 . 110 THR N N 117.965 0.000 1 1274 . 110 THR CA C 68.056 0.000 1 1275 . 110 THR HA H 4.011 0.050 1 1276 . 110 THR C C 176.406 0.000 1 1277 . 110 THR CB C 68.795 0.000 1 1278 . 110 THR HB H 4.120 0.000 1 1279 . 110 THR CG2 C 24.363 0.000 1 1280 . 110 THR HG2 H 1.450 0.000 1 1281 . 111 VAL H H 8.195 0.000 1 1282 . 111 VAL N N 121.130 0.000 1 1283 . 111 VAL CA C 65.663 0.000 1 1284 . 111 VAL HA H 3.758 0.000 1 1285 . 111 VAL C C 177.302 0.000 1 1286 . 111 VAL CB C 31.193 0.000 1 1287 . 111 VAL HB H 2.195 0.000 1 1288 . 111 VAL CG1 C 20.338 0.000 1 1289 . 111 VAL HG1 H 1.023 0.000 1 1290 . 111 VAL CG2 C 22.300 0.000 1 1291 . 111 VAL HG2 H 0.875 0.000 1 1292 . 112 VAL H H 6.742 0.000 1 1293 . 112 VAL N N 121.159 0.000 1 1294 . 112 VAL CA C 65.471 0.000 1 1295 . 112 VAL HA H 3.786 0.000 1 1296 . 112 VAL C C 177.314 0.000 1 1297 . 112 VAL CB C 32.537 0.000 1 1298 . 112 VAL HB H 2.122 0.000 1 1299 . 112 VAL CG1 C 22.655 0.000 1 1300 . 112 VAL HG1 H 1.127 0.000 1 1301 . 112 VAL CG2 C 21.366 0.000 1 1302 . 112 VAL HG2 H 0.964 0.000 1 1303 . 113 GLN H H 7.883 0.000 1 1304 . 113 GLN N N 116.640 0.000 1 1305 . 113 GLN CA C 57.530 0.000 1 1306 . 113 GLN HA H 3.989 0.000 1 1307 . 113 GLN C C 176.972 0.000 1 1308 . 113 GLN CB C 30.115 0.000 1 1309 . 113 GLN HB2 H 1.819 0.000 1 1310 . 113 GLN HB3 H 1.481 0.000 1 1311 . 113 GLN CG C 33.621 0.000 1 1312 . 113 GLN HG2 H 2.181 0.000 1 1313 . 113 GLN HG3 H 1.821 0.000 1 1314 . 113 GLN NE2 N 112.109 0.000 1 1315 . 113 GLN HE21 H 7.406 0.000 1 1316 . 113 GLN HE22 H 6.726 0.000 1 1317 . 114 HIS H H 8.369 0.000 1 1318 . 114 HIS N N 112.063 0.000 1 1319 . 114 HIS CA C 55.964 0.000 1 1320 . 114 HIS HA H 4.737 0.000 1 1321 . 114 HIS C C 176.406 0.000 1 1322 . 114 HIS CB C 33.157 0.000 1 1323 . 114 HIS HB2 H 2.967 0.000 1 1324 . 114 HIS HB3 H 2.675 0.000 1 1325 . 114 HIS CD2 C 118.297 0.000 1 1326 . 114 HIS HD2 H 6.976 0.000 1 1327 . 114 HIS CE1 C 139.266 0.000 1 1328 . 114 HIS HE1 H 7.608 0.000 1 1329 . 115 GLY H H 7.469 0.000 1 1330 . 115 GLY N N 107.824 0.000 1 1331 . 115 GLY CA C 46.301 0.000 1 1332 . 115 GLY HA2 H 3.980 0.000 1 1333 . 115 GLY HA3 H 3.980 0.000 1 1334 . 115 GLY C C 173.353 0.000 1 1335 . 116 ILE H H 6.128 0.000 1 1336 . 116 ILE N N 117.490 0.000 1 1337 . 116 ILE CA C 57.612 0.000 1 1338 . 116 ILE HA H 4.368 0.000 1 1339 . 116 ILE CB C 41.480 0.000 1 1340 . 116 ILE HB H 0.969 0.000 1 1341 . 116 ILE CG2 C 17.109 0.000 1 1342 . 116 ILE HG2 H 0.215 0.000 1 1343 . 116 ILE CG1 C 25.782 0.000 1 1344 . 116 ILE HG12 H 1.100 0.000 1 1345 . 116 ILE HG13 H 0.356 0.000 1 1346 . 116 ILE CD1 C 12.599 0.000 1 1347 . 116 ILE HD1 H -0.255 0.000 1 1348 . 117 PRO CA C 62.439 0.000 1 1349 . 117 PRO HA H 4.482 0.000 1 1350 . 117 PRO C C 176.702 0.000 1 1351 . 117 PRO CB C 31.577 0.000 1 1352 . 117 PRO HB2 H 2.253 0.000 1 1353 . 117 PRO HB3 H 1.966 0.000 1 1354 . 117 PRO CG C 27.355 0.000 1 1355 . 117 PRO HG2 H 2.209 0.000 1 1356 . 117 PRO HG3 H 1.940 0.000 1 1357 . 117 PRO CD C 50.665 0.000 1 1358 . 117 PRO HD2 H 3.975 0.000 1 1359 . 117 PRO HD3 H 3.675 0.000 1 1360 . 118 CYS H H 8.441 0.000 1 1361 . 118 CYS N N 120.033 0.000 1 1362 . 118 CYS CA C 58.392 0.000 1 1363 . 118 CYS HA H 5.045 0.000 1 1364 . 118 CYS C C 174.598 0.000 1 1365 . 118 CYS CB C 32.558 0.000 1 1366 . 118 CYS HB2 H 2.837 0.000 1 1367 . 118 CYS HB3 H 2.646 0.000 1 1368 . 119 CYS H H 8.596 0.000 1 1369 . 119 CYS N N 118.995 0.000 1 1370 . 119 CYS CA C 56.918 0.000 1 1371 . 119 CYS HA H 4.765 0.000 1 1372 . 119 CYS C C 173.555 0.000 1 1373 . 119 CYS CB C 29.157 0.000 1 1374 . 119 CYS HB2 H 2.995 0.000 1 1375 . 119 CYS HB3 H 2.939 0.000 1 1376 . 120 GLU H H 8.486 0.000 1 1377 . 120 GLU N N 120.491 0.000 1 1378 . 120 GLU CA C 56.541 0.000 1 1379 . 120 GLU HA H 4.563 0.000 1 1380 . 120 GLU C C 175.910 0.000 1 1381 . 120 GLU CB C 30.383 0.000 1 1382 . 120 GLU HB2 H 1.847 0.000 1 1383 . 120 GLU HB3 H 1.847 0.000 1 1384 . 120 GLU CG C 36.497 0.000 1 1385 . 120 GLU HG2 H 2.212 0.000 1 1386 . 120 GLU HG3 H 2.212 0.000 1 1387 . 121 ILE H H 7.082 0.000 1 1388 . 121 ILE N N 125.584 0.000 1 1389 . 121 ILE CA C 60.476 0.000 1 1390 . 121 ILE HA H 3.824 0.000 1 1391 . 121 ILE C C 171.284 0.000 1 1392 . 121 ILE CB C 39.961 0.000 1 1393 . 121 ILE HB H 0.729 0.000 1 1394 . 121 ILE CG2 C 15.164 0.000 1 1395 . 121 ILE HG2 H 0.292 0.000 1 1396 . 121 ILE CG1 C 29.703 0.000 1 1397 . 121 ILE HG12 H 1.663 0.000 1 1398 . 121 ILE HG13 H 0.621 0.000 1 1399 . 121 ILE CD1 C 13.380 0.000 1 1400 . 121 ILE HD1 H -0.729 0.000 1 1401 . 122 HIS H H 8.372 0.000 1 1402 . 122 HIS N N 122.808 0.000 1 1403 . 122 HIS CA C 54.203 0.000 1 1404 . 122 HIS HA H 4.842 0.000 1 1405 . 122 HIS C C 174.231 0.000 1 1406 . 122 HIS CB C 33.539 0.000 1 1407 . 122 HIS HB2 H 3.134 0.000 1 1408 . 122 HIS HB3 H 2.753 0.000 1 1409 . 122 HIS CD2 C 119.749 0.000 1 1410 . 122 HIS HD2 H 7.101 0.000 1 1411 . 122 HIS CE1 C 137.008 0.000 1 1412 . 122 HIS HE1 H 8.244 0.000 1 1413 . 123 ILE H H 8.545 0.000 1 1414 . 123 ILE N N 121.019 0.000 1 1415 . 123 ILE CA C 63.287 0.000 1 1416 . 123 ILE HA H 3.444 0.000 1 1417 . 123 ILE C C 177.139 0.000 1 1418 . 123 ILE CB C 36.587 0.000 1 1419 . 123 ILE HB H 1.851 0.000 1 1420 . 123 ILE CG2 C 18.019 0.000 1 1421 . 123 ILE HG2 H 0.975 0.000 1 1422 . 123 ILE CG1 C 28.544 0.000 1 1423 . 123 ILE HG12 H 1.697 0.000 1 1424 . 123 ILE HG13 H 1.332 0.000 1 1425 . 123 ILE CD1 C 11.596 0.000 1 1426 . 123 ILE HD1 H 0.912 0.000 1 1427 . 124 GLY H H 9.133 0.000 1 1428 . 124 GLY N N 117.857 0.000 1 1429 . 124 GLY CA C 44.778 0.000 1 1430 . 124 GLY HA2 H 4.545 0.000 1 1431 . 124 GLY HA3 H 3.434 0.000 1 1432 . 124 GLY C C 173.682 0.000 1 1433 . 125 ASP H H 8.031 0.000 1 1434 . 125 ASP N N 122.764 0.000 1 1435 . 125 ASP CA C 55.303 0.000 1 1436 . 125 ASP HA H 4.508 0.000 1 1437 . 125 ASP C C 175.204 0.000 1 1438 . 125 ASP CB C 41.261 0.000 1 1439 . 125 ASP HB2 H 2.799 0.000 1 1440 . 125 ASP HB3 H 2.528 0.000 1 1441 . 126 VAL H H 8.519 0.000 1 1442 . 126 VAL N N 122.124 0.000 1 1443 . 126 VAL CA C 62.509 0.000 1 1444 . 126 VAL HA H 4.320 0.000 1 1445 . 126 VAL C C 175.108 0.000 1 1446 . 126 VAL CB C 32.034 0.000 1 1447 . 126 VAL HB H 2.030 0.000 1 1448 . 126 VAL CG1 C 21.625 0.000 1 1449 . 126 VAL HG1 H 0.970 0.000 1 1450 . 126 VAL CG2 C 20.946 0.000 1 1451 . 126 VAL HG2 H 0.758 0.000 1 1452 . 127 CYS H H 9.218 0.000 1 1453 . 127 CYS N N 127.448 0.000 1 1454 . 127 CYS CA C 58.429 0.000 1 1455 . 127 CYS HA H 4.745 0.000 1 1456 . 127 CYS C C 175.469 0.000 1 1457 . 127 CYS CB C 27.868 0.000 1 1458 . 127 CYS HB2 H 2.955 0.000 1 1459 . 127 CYS HB3 H 2.955 0.000 1 1460 . 128 LEU H H 9.249 0.000 1 1461 . 128 LEU N N 124.630 0.000 1 1462 . 128 LEU CA C 52.148 0.000 1 1463 . 128 LEU HA H 4.477 0.000 1 1464 . 128 LEU CB C 42.348 0.000 1 1465 . 128 LEU HB2 H 1.600 0.000 1 1466 . 128 LEU HB3 H 1.063 0.000 1 1467 . 128 LEU CG C 26.129 0.000 1 1468 . 128 LEU CD1 C 25.522 0.000 1 1469 . 128 LEU HD1 H 0.551 0.000 1 1470 . 128 LEU CD2 C 20.318 0.000 1 1471 . 128 LEU HD2 H -0.032 0.000 1 1472 . 128 LEU HG H 1.660 0.000 1 1473 . 129 PRO CA C 60.586 0.000 1 1474 . 129 PRO HA H 4.053 0.000 1 1475 . 129 PRO CB C 28.621 0.000 1 1476 . 129 PRO HB2 H 1.491 0.000 1 1477 . 129 PRO HB3 H -0.121 0.000 1 1478 . 129 PRO CG C 26.201 0.000 1 1479 . 129 PRO HG2 H 1.844 0.000 1 1480 . 129 PRO HG3 H 1.844 0.000 1 1481 . 129 PRO CD C 49.438 0.000 1 1482 . 129 PRO HD2 H 3.375 0.000 1 1483 . 129 PRO HD3 H 3.232 0.000 1 1484 . 130 PRO CA C 62.833 0.000 1 1485 . 130 PRO HA H 3.431 0.000 1 1486 . 130 PRO C C 178.063 0.000 1 1487 . 130 PRO CB C 30.834 0.000 1 1488 . 130 PRO HB2 H 1.492 0.000 1 1489 . 130 PRO HB3 H 1.492 0.000 1 1490 . 130 PRO CG C 27.295 0.000 1 1491 . 130 PRO HG2 H 1.782 0.000 1 1492 . 130 PRO HG3 H 1.635 0.000 1 1493 . 130 PRO CD C 49.684 0.000 1 1494 . 130 PRO HD2 H 2.870 0.000 1 1495 . 130 PRO HD3 H 2.870 0.000 1 1496 . 131 GLY H H 8.950 0.000 1 1497 . 131 GLY N N 111.644 0.000 1 1498 . 131 GLY CA C 44.766 0.000 1 1499 . 131 GLY HA2 H 3.931 0.000 1 1500 . 131 GLY HA3 H 3.548 0.000 1 1501 . 131 GLY C C 173.964 0.000 1 1502 . 132 HIS H H 7.345 0.000 1 1503 . 132 HIS N N 123.207 0.000 1 1504 . 132 HIS CA C 56.571 0.000 1 1505 . 132 HIS HA H 4.417 0.000 1 1506 . 132 HIS CB C 32.287 0.000 1 1507 . 132 HIS HB2 H 2.997 0.000 1 1508 . 132 HIS HB3 H 2.720 0.000 1 1509 . 132 HIS CD2 C 118.390 0.000 1 1510 . 132 HIS HD2 H 7.523 0.000 1 1511 . 132 HIS CE1 C 139.520 0.000 1 1512 . 132 HIS HE1 H 8.085 0.000 1 1513 . 133 PRO CA C 65.080 0.000 1 1514 . 133 PRO HA H 4.191 0.000 1 1515 . 133 PRO C C 177.654 0.000 1 1516 . 133 PRO CB C 32.183 0.000 1 1517 . 133 PRO HB2 H 2.234 0.000 1 1518 . 133 PRO HB3 H 1.781 0.000 1 1519 . 133 PRO CG C 27.563 0.000 1 1520 . 133 PRO HG2 H 1.780 0.000 1 1521 . 133 PRO HG3 H 1.674 0.000 1 1522 . 133 PRO CD C 50.040 0.000 1 1523 . 133 PRO HD2 H 3.432 0.000 1 1524 . 133 PRO HD3 H 1.983 0.000 1 1525 . 134 ASP H H 11.012 0.000 1 1526 . 134 ASP N N 119.021 0.000 1 1527 . 134 ASP CA C 54.750 0.000 1 1528 . 134 ASP HA H 4.909 0.000 1 1529 . 134 ASP C C 176.017 0.000 1 1530 . 134 ASP CB C 41.351 0.000 1 1531 . 134 ASP HB2 H 2.916 0.000 1 1532 . 134 ASP HB3 H 2.752 0.000 1 1533 . 135 ALA H H 8.168 0.000 1 1534 . 135 ALA N N 125.894 0.000 1 1535 . 135 ALA CA C 50.339 0.000 1 1536 . 135 ALA HA H 4.088 0.000 1 1537 . 135 ALA C C 176.070 0.000 1 1538 . 135 ALA CB C 18.250 0.000 1 1539 . 135 ALA HB H 0.878 0.000 1 1540 . 136 ILE H H 6.790 0.000 1 1541 . 136 ILE N N 118.572 0.000 1 1542 . 136 ILE CA C 61.665 0.000 1 1543 . 136 ILE HA H 3.951 0.000 1 1544 . 136 ILE C C 176.127 0.000 1 1545 . 136 ILE CB C 38.445 0.000 1 1546 . 136 ILE HB H 1.816 0.000 1 1547 . 136 ILE CG2 C 17.531 0.000 1 1548 . 136 ILE HG2 H 0.872 0.000 1 1549 . 136 ILE CG1 C 27.384 0.000 1 1550 . 136 ILE HG12 H 1.432 0.000 1 1551 . 136 ILE HG13 H 1.128 0.000 1 1552 . 136 ILE CD1 C 12.934 0.000 1 1553 . 136 ILE HD1 H 0.869 0.000 1 1554 . 137 ASN H H 8.420 0.000 1 1555 . 137 ASN N N 120.919 0.000 1 1556 . 137 ASN CA C 53.341 0.000 1 1557 . 137 ASN HA H 4.725 0.000 1 1558 . 137 ASN C C 173.438 0.000 1 1559 . 137 ASN CB C 38.423 0.000 1 1560 . 137 ASN HB2 H 3.078 0.000 1 1561 . 137 ASN HB3 H 2.871 0.000 1 1562 . 137 ASN ND2 N 112.975 0.000 1 1563 . 137 ASN HD21 H 7.594 0.000 1 1564 . 137 ASN HD22 H 6.932 0.000 1 1565 . 138 PHE H H 7.397 0.000 1 1566 . 138 PHE N N 125.003 0.000 1 1567 . 138 PHE CA C 59.271 0.000 1 1568 . 138 PHE HA H 4.537 0.000 1 1569 . 138 PHE CB C 40.613 0.000 1 1570 . 138 PHE HB2 H 2.827 0.000 1 1571 . 138 PHE HB3 H 2.645 0.000 1 1572 . 138 PHE CD1 C 131.658 0.000 1 1573 . 138 PHE HD1 H 7.020 0.000 1 1574 . 138 PHE CD2 C 131.658 0.000 1 1575 . 138 PHE HD2 H 7.020 0.000 1 1576 . 138 PHE CE1 C 131.436 0.000 1 1577 . 138 PHE HE1 H 7.301 0.000 1 1578 . 138 PHE CE2 C 131.436 0.000 1 1579 . 138 PHE HE2 H 7.301 0.000 1 1580 . 138 PHE CZ C 129.107 0.000 1 1581 . 138 PHE HZ H 7.197 0.000 1 stop_ save_