data_5194 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Three-dimensional Structure of the Synaptotagmin 1 C2B-domain: Synaptotagmin 1 as a Phospholipid Binding Machine ; _BMRB_accession_number 5194 _BMRB_flat_file_name bmr5194.str _Entry_type original _Submission_date 2001-10-30 _Accession_date 2001-10-30 _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 Fernandez Imma . . 2 Arac Demet . . 3 Ubach Josep . . 4 Gerber Stefan H. . 5 Shin Ok-ho . . 6 Gao Yan . . 7 Anderson Richard G.W. . 8 Sudhof Thomas C. . 9 Rizo Josep . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 958 "13C chemical shifts" 715 "15N chemical shifts" 161 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2002-02-14 original author . stop_ _Original_release_date 2002-02-14 save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title ; Three-dimensional Structure of the Synaptotagmin 1 C2B-domain: Synaptotagmin 1 as a Phospholipid Binding Machine ; _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code 21630172 _PubMed_ID 11754837 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Fernandez Imma . . 2 Arac Demet . . 3 Ubach Josep . . 4 Gerber Stefan H. . 5 Shin Ok-ho . . 6 Gao Yan . . 7 Anderson Richard G.W. . 8 Sudhof Thomas C. . 9 Rizo Josep . . stop_ _Journal_abbreviation Neuron _Journal_volume 32 _Journal_issue 6 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 1057 _Page_last 1069 _Year 2001 _Details . loop_ _Keyword C2B-domain C2-domain 'synaptotagmin I' calcium-binding phospholipid-binding synapsis 'neurotransmitter release' 'synaptic vesicle exocytosis' stop_ save_ ################################## # Molecular system description # ################################## save_system_synaptotagmin _Saveframe_category molecular_system _Mol_system_name 'Synaptotagmin I' _Abbreviation_common synaptotagmin _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label 'Synaptotagmin I' $synaptotagmin 'CALCIUM ION, I' $CA 'CALCIUM ION, II' $CA stop_ _System_molecular_weight . _System_physical_state native _System_oligomer_state monomer _System_paramagnetic no _System_thiol_state 'all free' _Database_query_date . _Details . save_ ######################## # Monomeric polymers # ######################## save_synaptotagmin _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common synaptotagmin _Abbreviation_common synaptotagmin _Molecular_mass . _Mol_thiol_state 'all free' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 152 _Mol_residue_sequence ; QEKLGDICFSLRYVPTAGKL TVVILEAKNLKKMDVGGLSD PYVKIHLMQNGKRLKKKKTT IKKNTLNPYYNESFSFEVPF EQIQKVQVVVTVLDYDKIGK NDAIGKVFVGYNSTGAELRH WSDMLANPRRPIAQWHTLQV EEEVDAMLAVKK ; loop_ _Residue_seq_code _Residue_author_seq_code _Residue_label 1 270 GLN 2 271 GLU 3 272 LYS 4 273 LEU 5 274 GLY 6 275 ASP 7 276 ILE 8 277 CYS 9 278 PHE 10 279 SER 11 280 LEU 12 281 ARG 13 282 TYR 14 283 VAL 15 284 PRO 16 285 THR 17 286 ALA 18 287 GLY 19 288 LYS 20 289 LEU 21 290 THR 22 291 VAL 23 292 VAL 24 293 ILE 25 294 LEU 26 295 GLU 27 296 ALA 28 297 LYS 29 298 ASN 30 299 LEU 31 300 LYS 32 301 LYS 33 302 MET 34 303 ASP 35 304 VAL 36 305 GLY 37 306 GLY 38 307 LEU 39 308 SER 40 309 ASP 41 310 PRO 42 311 TYR 43 312 VAL 44 313 LYS 45 314 ILE 46 315 HIS 47 316 LEU 48 317 MET 49 318 GLN 50 319 ASN 51 320 GLY 52 321 LYS 53 322 ARG 54 323 LEU 55 324 LYS 56 325 LYS 57 326 LYS 58 327 LYS 59 328 THR 60 329 THR 61 330 ILE 62 331 LYS 63 332 LYS 64 333 ASN 65 334 THR 66 335 LEU 67 336 ASN 68 337 PRO 69 338 TYR 70 339 TYR 71 340 ASN 72 341 GLU 73 342 SER 74 343 PHE 75 344 SER 76 345 PHE 77 346 GLU 78 347 VAL 79 348 PRO 80 349 PHE 81 350 GLU 82 351 GLN 83 352 ILE 84 353 GLN 85 354 LYS 86 355 VAL 87 356 GLN 88 357 VAL 89 358 VAL 90 359 VAL 91 360 THR 92 361 VAL 93 362 LEU 94 363 ASP 95 364 TYR 96 365 ASP 97 366 LYS 98 367 ILE 99 368 GLY 100 369 LYS 101 370 ASN 102 371 ASP 103 372 ALA 104 373 ILE 105 374 GLY 106 375 LYS 107 376 VAL 108 377 PHE 109 378 VAL 110 379 GLY 111 380 TYR 112 381 ASN 113 382 SER 114 383 THR 115 384 GLY 116 385 ALA 117 386 GLU 118 387 LEU 119 388 ARG 120 389 HIS 121 390 TRP 122 391 SER 123 392 ASP 124 393 MET 125 394 LEU 126 395 ALA 127 396 ASN 128 397 PRO 129 398 ARG 130 399 ARG 131 400 PRO 132 401 ILE 133 402 ALA 134 403 GLN 135 404 TRP 136 405 HIS 137 406 THR 138 407 LEU 139 408 GLN 140 409 VAL 141 410 GLU 142 411 GLU 143 412 GLU 144 413 VAL 145 414 ASP 146 415 ALA 147 416 MET 148 417 LEU 149 418 ALA 150 419 VAL 151 420 LYS 152 421 LYS 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 BMRB 17838 entity_1 99.34 151 100.00 100.00 2.36e-106 PDB 1K5W "Three-Dimensional Structure Of The Synaptotagmin 1 C2b- Domain: Synaptotagmin 1 As A Phospholipid Binding Machine" 100.00 152 100.00 100.00 3.07e-107 PDB 1TJM "Crystallographic Identification Of Sr2+ Coordination Site In Synaptotagmin I C2b Domain" 99.34 159 100.00 100.00 3.42e-106 PDB 1TJX "Crystallographic Identification Of Ca2+ Coordination Sites In Synaptotagmin I C2b Domain" 99.34 159 100.00 100.00 3.42e-106 PDB 1UOV "Calcium Binding Domain C2b" 99.34 159 100.00 100.00 3.42e-106 PDB 1UOW "Calcium Binding Domain C2b" 99.34 159 100.00 100.00 3.42e-106 PDB 2LHA "Solution Structure Of C2b With Ip6" 99.34 151 100.00 100.00 2.36e-106 PDB 2YOA "Synaptotagmin-1 C2b Domain With Phosphoserine" 99.34 152 100.00 100.00 2.22e-106 GB ABA86948 "synaptotagmin I [Felis catus]" 75.66 169 100.00 100.00 2.45e-75 GB ELW70523 "Synaptotagmin-1 [Tupaia chinensis]" 100.00 178 100.00 100.00 6.10e-107 GB EPY85161 "synaptotagmin-1-like protein [Camelus ferus]" 74.34 114 100.00 100.00 5.98e-77 GB ETE67808 "Synaptotagmin-1 [Ophiophagus hannah]" 69.08 105 99.05 99.05 3.56e-69 GB KFO26676 "Synaptotagmin-1 [Fukomys damarensis]" 74.34 131 100.00 100.00 7.52e-77 REF XP_005955385 "PREDICTED: synaptotagmin-1 [Pantholops hodgsonii]" 100.00 207 100.00 100.00 4.09e-107 REF XP_007441326 "PREDICTED: synaptotagmin-1-like, partial [Python bivittatus]" 73.68 112 99.11 99.11 5.36e-75 REF XP_008933885 "PREDICTED: synaptotagmin-1, partial [Merops nubicus]" 100.00 152 99.34 99.34 3.59e-106 REF XP_009505833 "PREDICTED: synaptotagmin-1 [Phalacrocorax carbo]" 100.00 174 98.68 99.34 3.34e-106 REF XP_009699931 "PREDICTED: synaptotagmin-1-like, partial [Cariama cristata]" 73.68 112 98.21 99.11 8.56e-75 stop_ save_ ############# # Ligands # ############# save_CA _Saveframe_category ligand _Mol_type non-polymer _Name_common "CA (CALCIUM ION)" _BMRB_code . _PDB_code CA _Molecular_mass 40.078 _Mol_charge 2 _Mol_paramagnetic . _Mol_aromatic no _Details ; Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Mon Jun 20 11:33:06 2011 ; loop_ _Atom_name _PDB_atom_name _Atom_type _Atom_chirality _Atom_charge _Atom_oxidation_number _Atom_unpaired_electrons CA CA CA . 2 . ? stop_ _Mol_thiol_state . _Sequence_homology_query_date . save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species $synaptotagmin 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 $synaptotagmin 'recombinant technology' 'E. coli' . . . . 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 $synaptotagmin 1.3 mM '[U-15N; U-13C]' NaCl 150 mM . DTT 2 mM . MES 50 mM . CaCl2 20 mM . D2O 5 % . H2O 95 % . stop_ save_ save_sample_2 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $synaptotagmin 1.3 mM [U-15N] NaCl 150 mM . DTT 2 mM . MES 50 mM . CaCl2 20 mM . D2O 5 % . H2O 95 % . stop_ save_ save_sample_3 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $synaptotagmin 0.4 mM [U-15N] NaCl 150 mM . DTT 2 mM . MES 50 mM . EDTA 0.5 mM . D2O 5 % . H2O 95 % . stop_ save_ save_sample_4 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $synaptotagmin 1 mM '[U-10% 13C]' NaCl 150 mM . DTT 2 mM . MES 50 mM . CaCl2 20 mM . D2O 5 % . H2O 95 % . stop_ save_ ############################ # Computer software used # ############################ save_NMRPipe _Saveframe_category software _Name NMRPipe _Version 1.8 loop_ _Task processing stop_ _Details 'DeLaglio et al.' save_ save_VNMR _Saveframe_category software _Name VNMR _Version 6.1 loop_ _Task collection stop_ _Details Varian save_ save_NMRVIEW _Saveframe_category software _Name NMRVIEW _Version 4.12 loop_ _Task 'data analysis' stop_ _Details 'Johnson, Blevins' save_ save_CNS _Saveframe_category software _Name CNS _Version 0.9 loop_ _Task refinement stop_ _Details 'Brunger et al.' save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer _Saveframe_category NMR_spectrometer _Manufacturer Varian _Model INOVA _Field_strength 600 _Details . save_ ############################# # NMR applied experiments # ############################# save_3D_15N-separated_NOESY_1 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 15N-separated NOESY' _Sample_label . save_ save_3D-13C_15N-SEPARATED_NOESY_2 _Saveframe_category NMR_applied_experiment _Experiment_name '3D-13C 15N-SEPARATED NOESY' _Sample_label . save_ save_HNHA_3 _Saveframe_category NMR_applied_experiment _Experiment_name HNHA _Sample_label . save_ save_1H/13C-HSQC_4 _Saveframe_category NMR_applied_experiment _Experiment_name 1H/13C-HSQC _Sample_label . save_ save_NMR_spec_expt__0_1 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 15N-separated NOESY' _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_2 _Saveframe_category NMR_applied_experiment _Experiment_name '3D-13C 15N-SEPARATED NOESY' _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_3 _Saveframe_category NMR_applied_experiment _Experiment_name HNHA _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_4 _Saveframe_category NMR_applied_experiment _Experiment_name 1H/13C-HSQC _BMRB_pulse_sequence_accession_number . _Details . save_ ####################### # Sample conditions # ####################### save_sample_cond_1 _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units pH 6.3 . n/a temperature 303 . K 'ionic strength' 150 . mM pressure 1 . atm 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_citation_label _Correction_value_citation_label DSS H 1 'methyl protons' ppm 0.0 external direct . . . $entry_citation $entry_citation nitromethane N 15 nitrogen ppm -379.6 external direct . . . $entry_citation $entry_citation DSS C 13 'methyl protons' ppm 0.0 external direct . . . $entry_citation $entry_citation stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_chemical_shift_set_1 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Sample_label $sample_1 stop_ _Sample_conditions_label $sample_cond_1 _Chem_shift_reference_set_label $chemical_shift_reference _Mol_system_component_name 'Synaptotagmin I' _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 . 2 GLU N N 123.640 0.2 1 2 . 2 GLU H H 8.400 0.03 1 3 . 2 GLU CA C 56.210 0.3 1 4 . 2 GLU HA H 4.270 0.03 1 5 . 2 GLU CB C 30.535 0.3 1 6 . 2 GLU HB3 H 1.950 0.03 1 7 . 2 GLU HB2 H 1.950 0.03 1 8 . 2 GLU CG C 36.000 0.3 1 9 . 2 GLU HG3 H 2.200 0.03 1 10 . 2 GLU HG2 H 2.200 0.03 1 11 . 2 GLU C C 176.370 0.1 1 12 . 3 LYS N N 123.788 0.2 1 13 . 3 LYS H H 8.429 0.03 1 14 . 3 LYS CA C 56.088 0.3 1 15 . 3 LYS HA H 4.333 0.03 1 16 . 3 LYS CB C 32.157 0.3 1 17 . 3 LYS HB3 H 1.850 0.03 2 18 . 3 LYS HB2 H 1.790 0.03 2 19 . 3 LYS CG C 24.857 0.3 1 20 . 3 LYS HG3 H 1.500 0.03 2 21 . 3 LYS HG2 H 1.420 0.03 2 22 . 3 LYS CD C 28.935 0.3 1 23 . 3 LYS HD3 H 1.690 0.03 1 24 . 3 LYS HD2 H 1.690 0.03 1 25 . 3 LYS CE C 42.168 0.3 1 26 . 3 LYS HE3 H 2.980 0.03 1 27 . 3 LYS HE2 H 2.980 0.03 1 28 . 3 LYS C C 175.919 0.1 1 29 . 4 LEU N N 124.665 0.2 1 30 . 4 LEU H H 8.644 0.03 1 31 . 4 LEU CA C 56.013 0.3 1 32 . 4 LEU HA H 4.310 0.03 1 33 . 4 LEU CB C 43.171 0.3 1 34 . 4 LEU HB3 H 1.660 0.03 2 35 . 4 LEU HB2 H 1.380 0.03 2 36 . 4 LEU CG C 26.942 0.3 1 37 . 4 LEU HG H 1.710 0.03 1 38 . 4 LEU CD1 C 24.746 0.3 1 39 . 4 LEU HD1 H 0.910 0.03 1 40 . 4 LEU CD2 C 22.412 0.3 1 41 . 4 LEU HD2 H 0.860 0.03 1 42 . 4 LEU C C 175.225 0.1 1 43 . 5 GLY N N 102.130 0.2 1 44 . 5 GLY H H 7.203 0.03 1 45 . 5 GLY CA C 44.300 0.3 1 46 . 5 GLY HA3 H 4.510 0.03 2 47 . 5 GLY HA2 H 3.650 0.03 2 48 . 5 GLY C C 171.556 0.1 1 49 . 6 ASP N N 116.687 0.2 1 50 . 6 ASP H H 8.564 0.03 1 51 . 6 ASP CA C 53.091 0.3 1 52 . 6 ASP HA H 5.874 0.03 1 53 . 6 ASP CB C 45.884 0.3 1 54 . 6 ASP HB3 H 2.402 0.03 2 55 . 6 ASP HB2 H 2.852 0.03 2 56 . 6 ASP C C 174.993 0.1 1 57 . 7 ILE N N 118.813 0.2 1 58 . 7 ILE H H 9.981 0.03 1 59 . 7 ILE CA C 58.773 0.3 1 60 . 7 ILE HA H 5.330 0.03 1 61 . 7 ILE CB C 43.584 0.3 1 62 . 7 ILE HB H 1.580 0.03 1 63 . 7 ILE CG1 C 29.780 0.3 1 64 . 7 ILE HG13 H 1.870 0.03 1 65 . 7 ILE HG12 H 1.190 0.03 1 66 . 7 ILE CD1 C 15.474 0.3 1 67 . 7 ILE HD1 H 0.850 0.03 1 68 . 7 ILE CG2 C 16.640 0.3 1 69 . 7 ILE HG2 H 1.110 0.03 1 70 . 7 ILE C C 170.170 0.1 1 71 . 8 CYS N N 128.719 0.2 1 72 . 8 CYS H H 8.981 0.03 1 73 . 8 CYS CA C 56.303 0.3 1 74 . 8 CYS HA H 4.610 0.03 1 75 . 8 CYS CB C 25.921 0.3 1 76 . 8 CYS HB3 H 1.610 0.03 2 77 . 8 CYS HB2 H -0.250 0.03 2 78 . 8 CYS C C 173.962 0.1 1 79 . 9 PHE N N 121.431 0.2 1 80 . 9 PHE H H 7.710 0.03 1 81 . 9 PHE CA C 54.635 0.3 1 82 . 9 PHE HA H 5.490 0.03 1 83 . 9 PHE CB C 42.900 0.3 1 84 . 9 PHE HB3 H 3.360 0.03 2 85 . 9 PHE HB2 H 3.030 0.03 2 86 . 9 PHE CD1 C 131.800 0.3 1 87 . 9 PHE HD1 H 6.880 0.03 1 88 . 9 PHE CE1 C 130.100 0.3 1 89 . 9 PHE HE1 H 6.850 0.03 1 90 . 9 PHE CZ C 129.400 0.3 1 91 . 9 PHE HZ H 6.470 0.03 1 92 . 9 PHE CE2 C 130.100 0.3 1 93 . 9 PHE HE2 H 6.850 0.03 1 94 . 9 PHE CD2 C 131.800 0.3 1 95 . 9 PHE HD2 H 6.880 0.03 1 96 . 9 PHE C C 173.211 0.1 1 97 . 10 SER N N 116.272 0.2 1 98 . 10 SER H H 9.959 0.03 1 99 . 10 SER CA C 54.936 0.3 1 100 . 10 SER HA H 5.971 0.03 1 101 . 10 SER CB C 66.282 0.3 1 102 . 10 SER HB3 H 3.687 0.03 1 103 . 10 SER HB2 H 3.687 0.03 1 104 . 10 SER C C 172.943 0.1 1 105 . 11 LEU N N 121.640 0.2 1 106 . 11 LEU H H 8.340 0.03 1 107 . 11 LEU CA C 52.948 0.3 1 108 . 11 LEU HA H 5.218 0.03 1 109 . 11 LEU CB C 46.805 0.3 1 110 . 11 LEU HB3 H 1.423 0.03 2 111 . 11 LEU HB2 H 1.816 0.03 2 112 . 11 LEU CG C 27.708 0.3 1 113 . 11 LEU HG H 1.430 0.03 1 114 . 11 LEU CD1 C 24.660 0.3 1 115 . 11 LEU HD1 H 0.540 0.03 1 116 . 11 LEU CD2 C 23.990 0.3 1 117 . 11 LEU HD2 H 1.090 0.03 1 118 . 11 LEU C C 174.968 0.1 1 119 . 12 ARG N N 120.564 0.2 1 120 . 12 ARG H H 8.295 0.03 1 121 . 12 ARG CA C 54.794 0.3 1 122 . 12 ARG HA H 4.817 0.03 1 123 . 12 ARG CB C 34.588 0.3 1 124 . 12 ARG HB3 H 1.580 0.03 2 125 . 12 ARG HB2 H 1.630 0.03 2 126 . 12 ARG CG C 27.818 0.3 1 127 . 12 ARG HG3 H 1.110 0.03 1 128 . 12 ARG HG2 H 1.110 0.03 1 129 . 12 ARG CD C 44.034 0.3 1 130 . 12 ARG HD3 H 2.920 0.03 2 131 . 12 ARG HD2 H 2.880 0.03 2 132 . 12 ARG C C 173.478 0.1 1 133 . 13 TYR N N 127.604 0.2 1 134 . 13 TYR H H 9.448 0.03 1 135 . 13 TYR CA C 56.327 0.3 1 136 . 13 TYR HA H 5.595 0.03 1 137 . 13 TYR CB C 39.803 0.3 1 138 . 13 TYR HB3 H 2.676 0.03 2 139 . 13 TYR HB2 H 3.191 0.03 2 140 . 13 TYR CD1 C 131.800 0.3 1 141 . 13 TYR HD1 H 6.930 0.03 1 142 . 13 TYR CE1 C 116.900 0.3 1 143 . 13 TYR HE1 H 6.750 0.03 1 144 . 13 TYR CE2 C 116.900 0.3 1 145 . 13 TYR HE2 H 6.750 0.03 1 146 . 13 TYR CD2 C 131.800 0.3 1 147 . 13 TYR HD2 H 6.930 0.03 1 148 . 13 TYR C C 174.333 0.1 1 149 . 14 VAL N N 127.664 0.2 1 150 . 14 VAL H H 7.544 0.03 1 151 . 14 VAL CA C 58.520 0.3 1 152 . 14 VAL HA H 4.350 0.03 1 153 . 14 VAL CB C 32.480 0.3 1 154 . 14 VAL HB H 1.960 0.03 1 155 . 14 VAL CG2 C 20.200 0.3 1 156 . 14 VAL HG2 H 0.850 0.03 1 157 . 14 VAL CG1 C 22.200 0.3 1 158 . 14 VAL HG1 H 0.900 0.03 1 159 . 14 VAL C C 174.520 0.1 1 160 . 15 PRO CA C 65.562 0.3 1 161 . 15 PRO HA H 3.900 0.03 1 162 . 15 PRO CB C 32.295 0.3 1 163 . 15 PRO HB3 H 1.860 0.03 2 164 . 15 PRO HB2 H 2.070 0.03 2 165 . 15 PRO CG C 27.138 0.3 1 166 . 15 PRO HG3 H 2.040 0.03 2 167 . 15 PRO HG2 H 2.110 0.03 2 168 . 15 PRO CD C 51.464 0.3 1 169 . 15 PRO HD3 H 3.650 0.03 2 170 . 15 PRO HD2 H 4.050 0.03 2 171 . 15 PRO C C 178.199 0.1 1 172 . 16 THR N N 108.346 0.2 1 173 . 16 THR H H 7.758 0.03 1 174 . 16 THR CA C 64.451 0.3 1 175 . 16 THR HA H 3.950 0.03 1 176 . 16 THR CB C 68.156 0.3 1 177 . 16 THR HB H 4.170 0.03 1 178 . 16 THR CG2 C 22.389 0.3 1 179 . 16 THR HG2 H 1.226 0.03 1 180 . 16 THR C C 174.935 0.1 1 181 . 17 ALA N N 119.887 0.2 1 182 . 17 ALA H H 6.582 0.03 1 183 . 17 ALA CA C 51.200 0.3 1 184 . 17 ALA HA H 4.480 0.03 1 185 . 17 ALA CB C 20.255 0.3 1 186 . 17 ALA HB H 1.290 0.03 1 187 . 17 ALA C C 177.109 0.1 1 188 . 18 GLY N N 108.838 0.2 1 189 . 18 GLY H H 7.769 0.03 1 190 . 18 GLY CA C 47.116 0.3 1 191 . 18 GLY HA3 H 3.860 0.03 1 192 . 18 GLY HA2 H 3.860 0.03 1 193 . 18 GLY C C 174.088 0.1 1 194 . 19 LYS N N 117.207 0.2 1 195 . 19 LYS H H 6.705 0.03 1 196 . 19 LYS CA C 55.005 0.3 1 197 . 19 LYS HA H 5.018 0.03 1 198 . 19 LYS CB C 35.526 0.3 1 199 . 19 LYS HB3 H 1.440 0.03 2 200 . 19 LYS HB2 H 1.577 0.03 2 201 . 19 LYS CG C 24.496 0.3 1 202 . 19 LYS HG3 H 1.300 0.03 2 203 . 19 LYS HG2 H 1.200 0.03 2 204 . 19 LYS CD C 28.934 0.3 1 205 . 19 LYS HD3 H 1.580 0.03 2 206 . 19 LYS HD2 H 1.510 0.03 2 207 . 19 LYS CE C 41.785 0.3 1 208 . 19 LYS HE3 H 2.870 0.03 1 209 . 19 LYS HE2 H 2.870 0.03 1 210 . 19 LYS C C 173.948 0.1 1 211 . 20 LEU N N 131.876 0.2 1 212 . 20 LEU H H 9.323 0.03 1 213 . 20 LEU CA C 53.545 0.3 1 214 . 20 LEU HA H 5.580 0.03 1 215 . 20 LEU CB C 46.025 0.3 1 216 . 20 LEU HB3 H 1.460 0.03 2 217 . 20 LEU HB2 H 2.180 0.03 2 218 . 20 LEU CG C 28.374 0.3 1 219 . 20 LEU HG H 1.600 0.03 1 220 . 20 LEU CD1 C 25.100 0.3 1 221 . 20 LEU HD1 H 0.930 0.03 1 222 . 20 LEU CD2 C 26.490 0.3 1 223 . 20 LEU HD2 H 0.770 0.03 1 224 . 20 LEU C C 174.820 0.1 1 225 . 21 THR N N 124.264 0.2 1 226 . 21 THR H H 9.812 0.03 1 227 . 21 THR CA C 62.106 0.3 1 228 . 21 THR HA H 5.377 0.03 1 229 . 21 THR CB C 70.700 0.3 1 230 . 21 THR HB H 3.802 0.03 1 231 . 21 THR CG2 C 21.979 0.3 1 232 . 21 THR HG2 H 1.054 0.03 1 233 . 21 THR C C 173.680 0.1 1 234 . 22 VAL N N 129.970 0.2 1 235 . 22 VAL H H 9.560 0.03 1 236 . 22 VAL CA C 59.852 0.3 1 237 . 22 VAL HA H 5.156 0.03 1 238 . 22 VAL CB C 34.860 0.3 1 239 . 22 VAL HB H 2.116 0.03 1 240 . 22 VAL CG2 C 20.370 0.3 1 241 . 22 VAL HG2 H 0.910 0.03 1 242 . 22 VAL CG1 C 20.080 0.3 1 243 . 22 VAL HG1 H 0.740 0.03 1 244 . 22 VAL C C 174.585 0.1 1 245 . 23 VAL N N 125.960 0.2 1 246 . 23 VAL H H 8.708 0.03 1 247 . 23 VAL CA C 60.339 0.3 1 248 . 23 VAL HA H 4.934 0.03 1 249 . 23 VAL CB C 32.300 0.3 1 250 . 23 VAL HB H 2.292 0.03 1 251 . 23 VAL CG2 C 20.450 0.3 1 252 . 23 VAL HG2 H 0.800 0.03 1 253 . 23 VAL CG1 C 20.917 0.3 1 254 . 23 VAL HG1 H 0.570 0.03 1 255 . 23 VAL C C 177.658 0.1 1 256 . 24 ILE N N 125.762 0.2 1 257 . 24 ILE H H 9.163 0.03 1 258 . 24 ILE CA C 58.464 0.3 1 259 . 24 ILE HA H 4.110 0.03 1 260 . 24 ILE CB C 34.550 0.3 1 261 . 24 ILE HB H 2.152 0.03 1 262 . 24 ILE CG1 C 25.700 0.3 1 263 . 24 ILE HG13 H 0.940 0.03 1 264 . 24 ILE HG12 H 1.780 0.03 1 265 . 24 ILE CD1 C 8.360 0.3 1 266 . 24 ILE HD1 H 0.370 0.03 1 267 . 24 ILE CG2 C 17.500 0.3 1 268 . 24 ILE HG2 H 0.590 0.03 1 269 . 24 ILE C C 175.199 0.1 1 270 . 25 LEU N N 130.652 0.2 1 271 . 25 LEU H H 8.333 0.03 1 272 . 25 LEU CA C 58.140 0.3 1 273 . 25 LEU HA H 4.200 0.03 1 274 . 25 LEU CB C 41.502 0.3 1 275 . 25 LEU HB3 H 1.520 0.03 2 276 . 25 LEU HB2 H 1.400 0.03 2 277 . 25 LEU CG C 25.900 0.3 1 278 . 25 LEU HG H 1.600 0.03 1 279 . 25 LEU CD1 C 26.200 0.3 1 280 . 25 LEU HD1 H 0.770 0.03 1 281 . 25 LEU CD2 C 23.500 0.3 1 282 . 25 LEU HD2 H 0.800 0.03 1 283 . 25 LEU C C 175.350 0.1 1 284 . 26 GLU N N 112.265 0.2 1 285 . 26 GLU H H 7.546 0.03 1 286 . 26 GLU CA C 54.937 0.3 1 287 . 26 GLU HA H 5.153 0.03 1 288 . 26 GLU CB C 33.045 0.3 1 289 . 26 GLU HB3 H 2.390 0.03 1 290 . 26 GLU HB2 H 2.390 0.03 1 291 . 26 GLU CG C 35.178 0.3 1 292 . 26 GLU HG3 H 1.900 0.03 2 293 . 26 GLU HG2 H 2.060 0.03 2 294 . 26 GLU C C 172.341 0.1 1 295 . 27 ALA N N 121.728 0.2 1 296 . 27 ALA H H 9.230 0.03 1 297 . 27 ALA CA C 50.727 0.3 1 298 . 27 ALA HA H 5.650 0.03 1 299 . 27 ALA CB C 22.610 0.3 1 300 . 27 ALA HB H 1.590 0.03 1 301 . 27 ALA C C 174.564 0.1 1 302 . 28 LYS N N 116.892 0.2 1 303 . 28 LYS H H 9.256 0.03 1 304 . 28 LYS CA C 54.987 0.3 1 305 . 28 LYS HA H 5.470 0.03 1 306 . 28 LYS CB C 37.783 0.3 1 307 . 28 LYS HB3 H 1.830 0.03 2 308 . 28 LYS HB2 H 1.730 0.03 2 309 . 28 LYS CG C 24.392 0.3 1 310 . 28 LYS HG3 H 1.350 0.03 1 311 . 28 LYS HG2 H 1.350 0.03 1 312 . 28 LYS CD C 29.610 0.3 1 313 . 28 LYS HD3 H 1.300 0.03 2 314 . 28 LYS HD2 H 1.200 0.03 2 315 . 28 LYS CE C 41.399 0.3 1 316 . 28 LYS HE3 H 2.300 0.03 2 317 . 28 LYS HE2 H 1.960 0.03 2 318 . 28 LYS C C 174.283 0.1 1 319 . 29 ASN N N 115.705 0.2 1 320 . 29 ASN H H 8.700 0.03 1 321 . 29 ASN CA C 53.710 0.3 1 322 . 29 ASN HA H 4.250 0.03 1 323 . 29 ASN CB C 36.990 0.3 1 324 . 29 ASN HB3 H 2.880 0.03 1 325 . 29 ASN HB2 H 2.880 0.03 1 326 . 29 ASN ND2 N 114.500 0.2 1 327 . 29 ASN HD21 H 7.810 0.03 2 328 . 29 ASN HD22 H 6.860 0.03 2 329 . 29 ASN C C 173.880 0.1 1 330 . 30 LEU N N 114.605 0.2 1 331 . 30 LEU H H 8.243 0.03 1 332 . 30 LEU CA C 54.923 0.3 1 333 . 30 LEU HA H 4.580 0.03 1 334 . 30 LEU CB C 42.748 0.3 1 335 . 30 LEU HB3 H 1.370 0.03 2 336 . 30 LEU HB2 H 1.720 0.03 2 337 . 30 LEU CG C 26.300 0.3 1 338 . 30 LEU HG H 1.770 0.03 1 339 . 30 LEU CD1 C 26.980 0.3 1 340 . 30 LEU HD1 H 0.700 0.03 1 341 . 30 LEU CD2 C 22.900 0.3 1 342 . 30 LEU HD2 H 0.930 0.03 1 343 . 30 LEU C C 176.732 0.1 1 344 . 31 LYS N N 119.726 0.2 1 345 . 31 LYS H H 6.904 0.03 1 346 . 31 LYS CA C 56.546 0.3 1 347 . 31 LYS HA H 4.012 0.03 1 348 . 31 LYS CB C 35.083 0.3 1 349 . 31 LYS HB3 H 1.620 0.03 2 350 . 31 LYS HB2 H 1.860 0.03 2 351 . 31 LYS CG C 25.146 0.3 1 352 . 31 LYS HG3 H 1.270 0.03 2 353 . 31 LYS HG2 H 1.470 0.03 2 354 . 31 LYS CD C 30.686 0.3 1 355 . 31 LYS HD3 H 1.634 0.03 1 356 . 31 LYS HD2 H 1.634 0.03 1 357 . 31 LYS CE C 42.402 0.3 1 358 . 31 LYS HE3 H 3.015 0.03 1 359 . 31 LYS HE2 H 3.015 0.03 1 360 . 31 LYS C C 175.457 0.1 1 361 . 32 LYS N N 124.491 0.2 1 362 . 32 LYS H H 8.108 0.03 1 363 . 32 LYS CA C 56.933 0.3 1 364 . 32 LYS HA H 3.837 0.03 1 365 . 32 LYS CB C 32.921 0.3 1 366 . 32 LYS HB3 H 1.820 0.03 2 367 . 32 LYS HB2 H 1.760 0.03 2 368 . 32 LYS CG C 25.689 0.3 1 369 . 32 LYS HG3 H 1.700 0.03 2 370 . 32 LYS HG2 H 1.410 0.03 2 371 . 32 LYS CD C 29.913 0.3 1 372 . 32 LYS HD3 H 1.870 0.03 2 373 . 32 LYS HD2 H 1.830 0.03 2 374 . 32 LYS CE C 42.050 0.3 1 375 . 32 LYS HE3 H 3.079 0.03 1 376 . 32 LYS HE2 H 3.079 0.03 1 377 . 32 LYS C C 176.839 0.1 1 378 . 33 MET N N 122.775 0.2 1 379 . 33 MET H H 7.998 0.03 1 380 . 33 MET CA C 53.726 0.3 1 381 . 33 MET HA H 4.858 0.03 1 382 . 33 MET CB C 32.582 0.3 1 383 . 33 MET HB3 H 2.550 0.03 2 384 . 33 MET HB2 H 1.610 0.03 2 385 . 33 MET CG C 32.859 0.3 1 386 . 33 MET HG3 H 2.220 0.03 2 387 . 33 MET HG2 H 2.390 0.03 2 388 . 33 MET CE C 17.000 0.3 1 389 . 33 MET HE H 1.960 0.03 1 390 . 33 MET C C 176.262 0.1 1 391 . 34 ASP N N 125.368 0.2 1 392 . 34 ASP H H 8.138 0.03 1 393 . 34 ASP CA C 52.652 0.3 1 394 . 34 ASP HA H 5.180 0.03 1 395 . 34 ASP CB C 41.929 0.3 1 396 . 34 ASP HB3 H 2.453 0.03 2 397 . 34 ASP HB2 H 2.589 0.03 2 398 . 34 ASP C C 175.150 0.1 1 399 . 35 VAL N N 126.079 0.2 1 400 . 35 VAL H H 8.760 0.03 1 401 . 35 VAL CA C 64.570 0.3 1 402 . 35 VAL HA H 3.760 0.03 1 403 . 35 VAL CB C 31.180 0.3 1 404 . 35 VAL HB H 1.980 0.03 1 405 . 35 VAL CG2 C 21.500 0.3 1 406 . 35 VAL HG2 H 1.030 0.03 1 407 . 35 VAL CG1 C 20.700 0.3 1 408 . 35 VAL HG1 H 0.930 0.03 1 409 . 35 VAL C C 177.840 0.1 1 410 . 36 GLY N N 115.850 0.2 1 411 . 36 GLY H H 8.890 0.03 1 412 . 36 GLY CA C 45.392 0.3 1 413 . 36 GLY HA3 H 3.900 0.03 2 414 . 36 GLY HA2 H 4.020 0.03 2 415 . 36 GLY C C 173.989 0.1 1 416 . 37 GLY N N 109.277 0.2 1 417 . 37 GLY H H 7.725 0.03 1 418 . 37 GLY CA C 44.986 0.3 1 419 . 37 GLY HA3 H 3.598 0.03 2 420 . 37 GLY HA2 H 4.420 0.03 2 421 . 37 GLY C C 172.378 0.1 1 422 . 38 LEU N N 125.062 0.2 1 423 . 38 LEU H H 8.495 0.03 1 424 . 38 LEU CA C 53.446 0.3 1 425 . 38 LEU HA H 4.720 0.03 1 426 . 38 LEU CB C 42.131 0.3 1 427 . 38 LEU HB3 H 1.210 0.03 2 428 . 38 LEU HB2 H 1.650 0.03 2 429 . 38 LEU CG C 26.301 0.3 1 430 . 38 LEU HG H 1.580 0.03 1 431 . 38 LEU CD1 C 26.100 0.3 1 432 . 38 LEU HD1 H 0.830 0.03 1 433 . 38 LEU CD2 C 22.900 0.3 1 434 . 38 LEU HD2 H 0.910 0.03 1 435 . 38 LEU C C 172.559 0.1 1 436 . 39 SER N N 115.448 0.2 1 437 . 39 SER H H 7.163 0.03 1 438 . 39 SER CA C 57.259 0.3 1 439 . 39 SER HA H 4.491 0.03 1 440 . 39 SER CB C 68.556 0.3 1 441 . 39 SER HB3 H 3.625 0.03 1 442 . 39 SER HB2 H 3.625 0.03 1 443 . 39 SER C C 170.125 0.1 1 444 . 40 ASP N N 121.332 0.2 1 445 . 40 ASP H H 9.289 0.03 1 446 . 40 ASP CA C 51.860 0.3 1 447 . 40 ASP HA H 6.020 0.03 1 448 . 40 ASP CB C 42.490 0.3 1 449 . 40 ASP HB3 H 2.580 0.03 2 450 . 40 ASP HB2 H 3.710 0.03 2 451 . 40 ASP C C 173.590 0.1 1 452 . 41 PRO CA C 62.942 0.3 1 453 . 41 PRO HA H 5.755 0.03 1 454 . 41 PRO CB C 32.786 0.3 1 455 . 41 PRO HB3 H 1.670 0.03 2 456 . 41 PRO HB2 H 1.910 0.03 2 457 . 41 PRO CG C 28.591 0.3 1 458 . 41 PRO HG3 H 1.650 0.03 2 459 . 41 PRO HG2 H 1.950 0.03 2 460 . 41 PRO CD C 51.149 0.3 1 461 . 41 PRO HD3 H 3.440 0.03 2 462 . 41 PRO HD2 H 4.060 0.03 2 463 . 41 PRO C C 179.060 0.1 1 464 . 42 TYR N N 122.751 0.2 1 465 . 42 TYR H H 9.219 0.03 1 466 . 42 TYR CA C 55.547 0.3 1 467 . 42 TYR HA H 4.848 0.03 1 468 . 42 TYR CB C 41.980 0.3 1 469 . 42 TYR HB3 H 2.708 0.03 2 470 . 42 TYR HB2 H 3.003 0.03 2 471 . 42 TYR CD1 C 133.500 0.3 1 472 . 42 TYR HD1 H 6.990 0.03 1 473 . 42 TYR CE1 C 117.700 0.3 1 474 . 42 TYR HE1 H 6.530 0.03 1 475 . 42 TYR CE2 C 117.700 0.3 1 476 . 42 TYR HE2 H 6.530 0.03 1 477 . 42 TYR CD2 C 133.500 0.3 1 478 . 42 TYR HD2 H 6.990 0.03 1 479 . 42 TYR C C 171.015 0.1 1 480 . 43 VAL N N 120.590 0.2 1 481 . 43 VAL H H 8.622 0.03 1 482 . 43 VAL CA C 60.081 0.3 1 483 . 43 VAL HA H 4.932 0.03 1 484 . 43 VAL CB C 33.549 0.3 1 485 . 43 VAL HB H 1.628 0.03 1 486 . 43 VAL CG2 C 21.481 0.3 1 487 . 43 VAL HG2 H 0.460 0.03 1 488 . 43 VAL CG1 C 22.400 0.3 1 489 . 43 VAL HG1 H 0.510 0.03 1 490 . 43 VAL C C 174.845 0.1 1 491 . 44 LYS N N 125.017 0.2 1 492 . 44 LYS H H 9.060 0.03 1 493 . 44 LYS CA C 54.647 0.3 1 494 . 44 LYS HA H 4.880 0.03 1 495 . 44 LYS CB C 35.998 0.3 1 496 . 44 LYS HB3 H 1.510 0.03 2 497 . 44 LYS HB2 H 1.350 0.03 2 498 . 44 LYS CG C 25.480 0.3 1 499 . 44 LYS HG3 H 1.290 0.03 1 500 . 44 LYS HG2 H 1.290 0.03 1 501 . 44 LYS CD C 30.191 0.3 1 502 . 44 LYS HD3 H 1.670 0.03 2 503 . 44 LYS HD2 H 1.760 0.03 2 504 . 44 LYS CE C 42.040 0.3 1 505 . 44 LYS HE3 H 2.950 0.03 1 506 . 44 LYS HE2 H 2.950 0.03 1 507 . 44 LYS C C 174.802 0.1 1 508 . 45 ILE N N 123.183 0.2 1 509 . 45 ILE H H 8.672 0.03 1 510 . 45 ILE CA C 60.077 0.3 1 511 . 45 ILE HA H 4.800 0.03 1 512 . 45 ILE CB C 41.288 0.3 1 513 . 45 ILE HB H 1.210 0.03 1 514 . 45 ILE CG1 C 29.000 0.3 1 515 . 45 ILE HG13 H 0.480 0.03 1 516 . 45 ILE HG12 H 1.000 0.03 1 517 . 45 ILE CD1 C 16.370 0.3 1 518 . 45 ILE HD1 H 0.110 0.03 1 519 . 45 ILE CG2 C 20.260 0.3 1 520 . 45 ILE HG2 H 0.490 0.03 1 521 . 45 ILE C C 174.571 0.1 1 522 . 46 HIS N N 123.369 0.2 1 523 . 46 HIS H H 9.130 0.03 1 524 . 46 HIS CA C 54.064 0.3 1 525 . 46 HIS HA H 5.460 0.03 1 526 . 46 HIS CB C 34.334 0.3 1 527 . 46 HIS HB3 H 2.810 0.03 2 528 . 46 HIS HB2 H 2.716 0.03 2 529 . 46 HIS CD2 C 117.200 0.3 1 530 . 46 HIS HD2 H 6.840 0.03 1 531 . 46 HIS CE1 C 138.900 0.3 1 532 . 46 HIS HE1 H 7.700 0.03 1 533 . 46 HIS C C 173.541 0.1 1 534 . 47 LEU N N 124.573 0.2 1 535 . 47 LEU H H 8.380 0.03 1 536 . 47 LEU CA C 53.392 0.3 1 537 . 47 LEU HA H 4.851 0.03 1 538 . 47 LEU CB C 44.025 0.3 1 539 . 47 LEU HB3 H 0.520 0.03 2 540 . 47 LEU HB2 H 1.550 0.03 2 541 . 47 LEU CG C 27.400 0.3 1 542 . 47 LEU HG H 1.230 0.03 1 543 . 47 LEU CD1 C 23.700 0.3 1 544 . 47 LEU HD1 H 0.440 0.03 1 545 . 47 LEU CD2 C 26.100 0.3 1 546 . 47 LEU HD2 H 0.660 0.03 1 547 . 47 LEU C C 175.409 0.1 1 548 . 48 MET N N 125.305 0.2 1 549 . 48 MET H H 9.264 0.03 1 550 . 48 MET CA C 53.597 0.3 1 551 . 48 MET HA H 5.430 0.03 1 552 . 48 MET CB C 35.907 0.3 1 553 . 48 MET HB3 H 1.880 0.03 1 554 . 48 MET HB2 H 1.880 0.03 1 555 . 48 MET CG C 32.214 0.3 1 556 . 48 MET HG3 H 2.200 0.03 1 557 . 48 MET HG2 H 2.200 0.03 1 558 . 48 MET CE C 16.100 0.3 1 559 . 48 MET HE H 1.680 0.03 1 560 . 48 MET C C 174.664 0.1 1 561 . 49 GLN N N 118.561 0.2 1 562 . 49 GLN H H 8.518 0.03 1 563 . 49 GLN CA C 55.900 0.3 1 564 . 49 GLN HA H 4.467 0.03 1 565 . 49 GLN CB C 32.162 0.3 1 566 . 49 GLN HB3 H 1.890 0.03 1 567 . 49 GLN HB2 H 1.890 0.03 1 568 . 49 GLN CG C 33.835 0.3 1 569 . 49 GLN HG3 H 2.040 0.03 2 570 . 49 GLN HG2 H 2.180 0.03 2 571 . 49 GLN NE2 N 108.800 0.2 1 572 . 49 GLN HE21 H 6.860 0.03 2 573 . 49 GLN HE22 H 6.780 0.03 2 574 . 49 GLN C C 175.823 0.1 1 575 . 50 ASN N N 127.504 0.2 1 576 . 50 ASN H H 9.488 0.03 1 577 . 50 ASN CA C 54.049 0.3 1 578 . 50 ASN HA H 4.343 0.03 1 579 . 50 ASN CB C 37.691 0.3 1 580 . 50 ASN HB3 H 2.610 0.03 2 581 . 50 ASN HB2 H 3.088 0.03 2 582 . 50 ASN ND2 N 112.000 0.2 1 583 . 50 ASN HD21 H 7.540 0.03 2 584 . 50 ASN HD22 H 6.860 0.03 2 585 . 50 ASN C C 174.724 0.1 1 586 . 51 GLY N N 104.240 0.2 1 587 . 51 GLY H H 8.976 0.03 1 588 . 51 GLY CA C 45.423 0.3 1 589 . 51 GLY HA3 H 3.564 0.03 2 590 . 51 GLY HA2 H 4.030 0.03 2 591 . 51 GLY C C 173.233 0.1 1 592 . 52 LYS N N 120.531 0.2 1 593 . 52 LYS H H 7.748 0.03 1 594 . 52 LYS CA C 54.342 0.3 1 595 . 52 LYS HA H 4.505 0.03 1 596 . 52 LYS CB C 34.090 0.3 1 597 . 52 LYS HB3 H 1.770 0.03 1 598 . 52 LYS HB2 H 1.770 0.03 1 599 . 52 LYS CG C 24.755 0.3 1 600 . 52 LYS HG3 H 1.300 0.03 2 601 . 52 LYS HG2 H 1.400 0.03 2 602 . 52 LYS CD C 28.958 0.3 1 603 . 52 LYS HD3 H 1.640 0.03 1 604 . 52 LYS HD2 H 1.640 0.03 1 605 . 52 LYS CE C 42.235 0.3 1 606 . 52 LYS HE3 H 2.970 0.03 1 607 . 52 LYS HE2 H 2.970 0.03 1 608 . 52 LYS C C 175.537 0.1 1 609 . 53 ARG N N 123.524 0.2 1 610 . 53 ARG H H 8.696 0.03 1 611 . 53 ARG CA C 56.391 0.3 1 612 . 53 ARG HA H 4.403 0.03 1 613 . 53 ARG CB C 29.652 0.3 1 614 . 53 ARG HB3 H 1.570 0.03 2 615 . 53 ARG HB2 H 1.690 0.03 2 616 . 53 ARG CG C 27.792 0.3 1 617 . 53 ARG HG3 H 1.216 0.03 2 618 . 53 ARG HG2 H 1.500 0.03 2 619 . 53 ARG CD C 43.369 0.3 1 620 . 53 ARG HD3 H 2.820 0.03 2 621 . 53 ARG HD2 H 2.770 0.03 2 622 . 53 ARG C C 175.584 0.1 1 623 . 54 LEU N N 126.825 0.2 1 624 . 54 LEU H H 9.122 0.03 1 625 . 54 LEU CA C 56.210 0.3 1 626 . 54 LEU HA H 4.414 0.03 1 627 . 54 LEU CB C 43.091 0.3 1 628 . 54 LEU HB3 H 1.570 0.03 2 629 . 54 LEU HB2 H 1.640 0.03 2 630 . 54 LEU CG C 27.243 0.3 1 631 . 54 LEU HG H 1.630 0.03 1 632 . 54 LEU CD1 C 25.250 0.3 1 633 . 54 LEU HD1 H 0.840 0.03 1 634 . 54 LEU CD2 C 22.650 0.3 1 635 . 54 LEU HD2 H 0.810 0.03 1 636 . 54 LEU C C 177.313 0.1 1 637 . 55 LYS N N 115.450 0.2 1 638 . 55 LYS H H 7.461 0.03 1 639 . 55 LYS CA C 54.460 0.3 1 640 . 55 LYS HA H 4.760 0.03 1 641 . 55 LYS CB C 37.159 0.3 1 642 . 55 LYS HB3 H 1.920 0.03 2 643 . 55 LYS HB2 H 1.980 0.03 2 644 . 55 LYS CG C 25.108 0.3 1 645 . 55 LYS HG3 H 1.600 0.03 2 646 . 55 LYS HG2 H 1.720 0.03 2 647 . 55 LYS CD C 28.790 0.3 1 648 . 55 LYS HD3 H 1.960 0.03 2 649 . 55 LYS HD2 H 2.100 0.03 2 650 . 55 LYS CE C 42.409 0.3 1 651 . 55 LYS HE3 H 3.200 0.03 2 652 . 55 LYS HE2 H 3.140 0.03 2 653 . 55 LYS C C 174.373 0.1 1 654 . 56 LYS N N 121.591 0.2 1 655 . 56 LYS H H 8.526 0.03 1 656 . 56 LYS CA C 55.000 0.3 1 657 . 56 LYS HA H 5.359 0.03 1 658 . 56 LYS CB C 35.390 0.3 1 659 . 56 LYS HB3 H 1.680 0.03 1 660 . 56 LYS HB2 H 1.680 0.03 1 661 . 56 LYS CG C 23.500 0.3 1 662 . 56 LYS HG3 H 1.210 0.03 2 663 . 56 LYS HG2 H 1.060 0.03 2 664 . 56 LYS CD C 29.700 0.3 1 665 . 56 LYS HD3 H 1.550 0.03 1 666 . 56 LYS HD2 H 1.550 0.03 1 667 . 56 LYS CE C 41.900 0.3 1 668 . 56 LYS HE3 H 2.910 0.03 1 669 . 56 LYS HE2 H 2.910 0.03 1 670 . 56 LYS C C 174.745 0.1 1 671 . 57 LYS N N 121.960 0.2 1 672 . 57 LYS H H 8.910 0.03 1 673 . 57 LYS CA C 53.512 0.3 1 674 . 57 LYS HA H 4.770 0.03 1 675 . 57 LYS CB C 37.835 0.3 1 676 . 57 LYS HB3 H 1.580 0.03 2 677 . 57 LYS HB2 H 1.120 0.03 2 678 . 57 LYS CG C 26.270 0.3 1 679 . 57 LYS HG3 H 1.320 0.03 2 680 . 57 LYS HG2 H 1.200 0.03 2 681 . 57 LYS CD C 28.830 0.3 1 682 . 57 LYS HD3 H 1.650 0.03 2 683 . 57 LYS HD2 H 2.080 0.03 2 684 . 57 LYS CE C 42.680 0.3 1 685 . 57 LYS HE3 H 2.840 0.03 2 686 . 57 LYS HE2 H 2.750 0.03 2 687 . 57 LYS C C 174.780 0.1 1 688 . 58 LYS N N 118.768 0.2 1 689 . 58 LYS H H 8.398 0.03 1 690 . 58 LYS CA C 55.021 0.3 1 691 . 58 LYS HA H 5.390 0.03 1 692 . 58 LYS CB C 36.509 0.3 1 693 . 58 LYS HB3 H 1.820 0.03 2 694 . 58 LYS HB2 H 1.900 0.03 2 695 . 58 LYS CG C 23.373 0.3 1 696 . 58 LYS HG3 H 1.550 0.03 2 697 . 58 LYS HG2 H 1.380 0.03 2 698 . 58 LYS CD C 30.014 0.3 1 699 . 58 LYS HD3 H 1.670 0.03 1 700 . 58 LYS HD2 H 1.670 0.03 1 701 . 58 LYS CE C 42.195 0.3 1 702 . 58 LYS HE3 H 2.920 0.03 1 703 . 58 LYS HE2 H 2.920 0.03 1 704 . 58 LYS C C 174.835 0.1 1 705 . 59 THR N N 110.742 0.2 1 706 . 59 THR H H 8.705 0.03 1 707 . 59 THR CA C 60.943 0.3 1 708 . 59 THR HA H 4.970 0.03 1 709 . 59 THR CB C 73.145 0.3 1 710 . 59 THR HB H 4.820 0.03 1 711 . 59 THR CG2 C 20.400 0.3 1 712 . 59 THR HG2 H 0.890 0.03 1 713 . 59 THR HG1 H 5.720 0.03 1 714 . 59 THR C C 175.698 0.1 1 715 . 60 THR N N 110.101 0.2 1 716 . 60 THR H H 9.521 0.03 1 717 . 60 THR CA C 62.773 0.3 1 718 . 60 THR HA H 4.290 0.03 1 719 . 60 THR CB C 70.868 0.3 1 720 . 60 THR HB H 4.350 0.03 1 721 . 60 THR CG2 C 22.180 0.3 1 722 . 60 THR HG2 H 1.433 0.03 1 723 . 60 THR C C 173.755 0.1 1 724 . 61 ILE N N 119.223 0.2 1 725 . 61 ILE H H 8.082 0.03 1 726 . 61 ILE CA C 61.069 0.3 1 727 . 61 ILE HA H 4.331 0.03 1 728 . 61 ILE CB C 40.121 0.3 1 729 . 61 ILE HB H 1.310 0.03 1 730 . 61 ILE CG1 C 28.340 0.3 1 731 . 61 ILE HG13 H 1.260 0.03 1 732 . 61 ILE HG12 H 0.370 0.03 1 733 . 61 ILE CD1 C 14.089 0.3 1 734 . 61 ILE HD1 H 0.000 0.03 1 735 . 61 ILE CG2 C 18.110 0.3 1 736 . 61 ILE HG2 H 0.520 0.03 1 737 . 61 ILE C C 176.847 0.1 1 738 . 62 LYS N N 127.408 0.2 1 739 . 62 LYS H H 7.989 0.03 1 740 . 62 LYS CA C 52.097 0.3 1 741 . 62 LYS HA H 4.710 0.03 1 742 . 62 LYS CB C 31.702 0.3 1 743 . 62 LYS HB3 H 1.680 0.03 1 744 . 62 LYS HB2 H 1.680 0.03 1 745 . 62 LYS CG C 24.840 0.3 1 746 . 62 LYS HG3 H 0.820 0.03 2 747 . 62 LYS HG2 H 1.190 0.03 2 748 . 62 LYS CD C 27.659 0.3 1 749 . 62 LYS HD3 H 1.500 0.03 2 750 . 62 LYS HD2 H 1.590 0.03 2 751 . 62 LYS CE C 42.500 0.3 1 752 . 62 LYS HE3 H 2.760 0.03 2 753 . 62 LYS HE2 H 2.920 0.03 2 754 . 62 LYS C C 174.100 0.1 1 755 . 63 LYS N N 118.475 0.2 1 756 . 63 LYS H H 8.035 0.03 1 757 . 63 LYS CA C 55.312 0.3 1 758 . 63 LYS HA H 4.760 0.03 1 759 . 63 LYS CB C 33.632 0.3 1 760 . 63 LYS HB3 H 1.730 0.03 1 761 . 63 LYS HB2 H 1.730 0.03 1 762 . 63 LYS CG C 25.247 0.3 1 763 . 63 LYS HG3 H 1.510 0.03 2 764 . 63 LYS HG2 H 1.303 0.03 2 765 . 63 LYS CD C 28.918 0.3 1 766 . 63 LYS HD3 H 1.660 0.03 1 767 . 63 LYS HD2 H 1.660 0.03 1 768 . 63 LYS CE C 42.068 0.3 1 769 . 63 LYS HE3 H 2.930 0.03 1 770 . 63 LYS HE2 H 2.930 0.03 1 771 . 63 LYS C C 177.473 0.1 1 772 . 64 ASN N N 122.993 0.2 1 773 . 64 ASN H H 9.757 0.03 1 774 . 64 ASN CA C 53.800 0.3 1 775 . 64 ASN HA H 4.300 0.03 1 776 . 64 ASN CB C 38.180 0.3 1 777 . 64 ASN HB3 H 3.070 0.03 2 778 . 64 ASN HB2 H 2.590 0.03 2 779 . 64 ASN ND2 N 112.000 0.2 1 780 . 64 ASN HD21 H 7.540 0.03 2 781 . 64 ASN HD22 H 6.710 0.03 2 782 . 64 ASN C C 173.369 0.1 1 783 . 65 THR N N 112.050 0.2 1 784 . 65 THR H H 8.690 0.03 1 785 . 65 THR CA C 60.574 0.3 1 786 . 65 THR HA H 4.678 0.03 1 787 . 65 THR CB C 68.633 0.3 1 788 . 65 THR HB H 4.198 0.03 1 789 . 65 THR CG2 C 20.449 0.3 1 790 . 65 THR HG2 H 0.809 0.03 1 791 . 65 THR C C 170.016 0.1 1 792 . 66 LEU N N 121.971 0.2 1 793 . 66 LEU H H 8.581 0.03 1 794 . 66 LEU CA C 52.692 0.3 1 795 . 66 LEU HA H 4.570 0.03 1 796 . 66 LEU CB C 40.529 0.3 1 797 . 66 LEU HB3 H 1.600 0.03 2 798 . 66 LEU HB2 H 2.070 0.03 2 799 . 66 LEU CG C 27.000 0.3 1 800 . 66 LEU HG H 1.690 0.03 1 801 . 66 LEU CD1 C 24.800 0.3 1 802 . 66 LEU HD1 H 0.990 0.03 1 803 . 66 LEU CD2 C 21.400 0.3 1 804 . 66 LEU HD2 H 0.650 0.03 1 805 . 66 LEU C C 175.684 0.1 1 806 . 67 ASN N N 115.618 0.2 1 807 . 67 ASN H H 8.600 0.03 1 808 . 67 ASN CA C 50.980 0.3 1 809 . 67 ASN HA H 5.620 0.03 1 810 . 67 ASN CB C 40.960 0.3 1 811 . 67 ASN HB3 H 2.660 0.03 2 812 . 67 ASN HB2 H 2.780 0.03 2 813 . 67 ASN ND2 N 117.200 0.2 1 814 . 67 ASN HD21 H 7.640 0.03 2 815 . 67 ASN HD22 H 7.330 0.03 2 816 . 67 ASN C C 171.820 0.1 1 817 . 68 PRO CA C 62.511 0.3 1 818 . 68 PRO HA H 4.232 0.03 1 819 . 68 PRO CB C 32.665 0.3 1 820 . 68 PRO HB3 H 1.190 0.03 2 821 . 68 PRO HB2 H 1.620 0.03 2 822 . 68 PRO CG C 28.100 0.3 1 823 . 68 PRO HG3 H 1.870 0.03 2 824 . 68 PRO HG2 H 2.230 0.03 2 825 . 68 PRO CD C 49.788 0.3 1 826 . 68 PRO HD3 H 3.070 0.03 2 827 . 68 PRO HD2 H 3.420 0.03 2 828 . 68 PRO C C 173.560 0.1 1 829 . 69 TYR N N 120.650 0.2 1 830 . 69 TYR H H 8.089 0.03 1 831 . 69 TYR CA C 57.670 0.3 1 832 . 69 TYR HA H 4.574 0.03 1 833 . 69 TYR CB C 40.541 0.3 1 834 . 69 TYR HB3 H 2.875 0.03 2 835 . 69 TYR HB2 H 3.000 0.03 2 836 . 69 TYR CD1 C 132.700 0.3 1 837 . 69 TYR HD1 H 7.030 0.03 1 838 . 69 TYR CE1 C 117.900 0.3 1 839 . 69 TYR HE1 H 6.760 0.03 1 840 . 69 TYR CE2 C 117.900 0.3 1 841 . 69 TYR HE2 H 6.760 0.03 1 842 . 69 TYR CD2 C 132.700 0.3 1 843 . 69 TYR HD2 H 7.030 0.03 1 844 . 69 TYR C C 174.429 0.1 1 845 . 70 TYR N N 122.219 0.2 1 846 . 70 TYR H H 8.142 0.03 1 847 . 70 TYR CA C 59.065 0.3 1 848 . 70 TYR HA H 4.540 0.03 1 849 . 70 TYR CB C 40.394 0.3 1 850 . 70 TYR HB3 H 2.495 0.03 2 851 . 70 TYR HB2 H 2.760 0.03 2 852 . 70 TYR CD1 C 132.900 0.3 1 853 . 70 TYR HD1 H 7.030 0.03 1 854 . 70 TYR CE1 C 117.700 0.3 1 855 . 70 TYR HE1 H 6.480 0.03 1 856 . 70 TYR CE2 C 117.700 0.3 1 857 . 70 TYR HE2 H 6.480 0.03 1 858 . 70 TYR CD2 C 132.900 0.3 1 859 . 70 TYR HD2 H 7.030 0.03 1 860 . 70 TYR C C 175.285 0.1 1 861 . 71 ASN N N 120.343 0.2 1 862 . 71 ASN H H 8.201 0.03 1 863 . 71 ASN CA C 53.912 0.3 1 864 . 71 ASN HA H 4.170 0.03 1 865 . 71 ASN CB C 37.440 0.3 1 866 . 71 ASN HB3 H 2.290 0.03 2 867 . 71 ASN HB2 H 3.310 0.03 2 868 . 71 ASN ND2 N 108.800 0.2 1 869 . 71 ASN HD21 H 7.370 0.03 2 870 . 71 ASN HD22 H 6.540 0.03 2 871 . 71 ASN C C 173.588 0.1 1 872 . 72 GLU N N 117.452 0.2 1 873 . 72 GLU H H 7.581 0.03 1 874 . 72 GLU CA C 55.440 0.3 1 875 . 72 GLU HA H 4.430 0.03 1 876 . 72 GLU CB C 33.280 0.3 1 877 . 72 GLU HB3 H 1.480 0.03 2 878 . 72 GLU HB2 H 1.980 0.03 2 879 . 72 GLU CG C 36.830 0.3 1 880 . 72 GLU HG3 H 2.180 0.03 2 881 . 72 GLU HG2 H 2.270 0.03 2 882 . 72 GLU C C 173.140 0.1 1 883 . 73 SER N N 117.479 0.2 1 884 . 73 SER H H 8.066 0.03 1 885 . 73 SER CA C 56.697 0.3 1 886 . 73 SER HA H 4.836 0.03 1 887 . 73 SER CB C 64.658 0.3 1 888 . 73 SER HB3 H 3.470 0.03 1 889 . 73 SER HB2 H 3.470 0.03 1 890 . 73 SER C C 172.954 0.1 1 891 . 74 PHE N N 123.427 0.2 1 892 . 74 PHE H H 8.860 0.03 1 893 . 74 PHE CA C 57.040 0.3 1 894 . 74 PHE HA H 4.580 0.03 1 895 . 74 PHE CB C 42.900 0.3 1 896 . 74 PHE HB3 H 2.620 0.03 1 897 . 74 PHE HB2 H 2.620 0.03 1 898 . 74 PHE CD1 C 132.000 0.3 1 899 . 74 PHE HD1 H 7.080 0.03 1 900 . 74 PHE CE1 C 131.200 0.3 1 901 . 74 PHE HE1 H 7.030 0.03 1 902 . 74 PHE CZ C 129.700 0.3 1 903 . 74 PHE HZ H 7.010 0.03 1 904 . 74 PHE CE2 C 131.200 0.3 1 905 . 74 PHE HE2 H 7.030 0.03 1 906 . 74 PHE CD2 C 132.000 0.3 1 907 . 74 PHE HD2 H 7.080 0.03 1 908 . 74 PHE C C 173.559 0.1 1 909 . 75 SER N N 116.926 0.2 1 910 . 75 SER H H 8.458 0.03 1 911 . 75 SER CA C 57.214 0.3 1 912 . 75 SER HA H 5.578 0.03 1 913 . 75 SER CB C 65.921 0.3 1 914 . 75 SER HB3 H 3.620 0.03 2 915 . 75 SER HB2 H 3.602 0.03 2 916 . 75 SER C C 172.249 0.1 1 917 . 76 PHE N N 120.189 0.2 1 918 . 76 PHE H H 9.496 0.03 1 919 . 76 PHE CA C 56.018 0.3 1 920 . 76 PHE HA H 4.885 0.03 1 921 . 76 PHE CB C 43.487 0.3 1 922 . 76 PHE HB3 H 2.715 0.03 2 923 . 76 PHE HB2 H 3.070 0.03 2 924 . 76 PHE CD1 C 132.500 0.3 1 925 . 76 PHE HD1 H 7.160 0.03 1 926 . 76 PHE CE1 C 129.600 0.3 1 927 . 76 PHE HE1 H 6.870 0.03 1 928 . 76 PHE CZ C 128.800 0.3 1 929 . 76 PHE HZ H 6.640 0.03 1 930 . 76 PHE CE2 C 129.600 0.3 1 931 . 76 PHE HE2 H 6.870 0.03 1 932 . 76 PHE CD2 C 132.500 0.3 1 933 . 76 PHE HD2 H 7.160 0.03 1 934 . 76 PHE C C 174.502 0.1 1 935 . 77 GLU N N 124.373 0.2 1 936 . 77 GLU H H 9.021 0.03 1 937 . 77 GLU CA C 55.939 0.3 1 938 . 77 GLU HA H 4.960 0.03 1 939 . 77 GLU CB C 29.322 0.3 1 940 . 77 GLU HB3 H 2.090 0.03 1 941 . 77 GLU HB2 H 2.090 0.03 1 942 . 77 GLU CG C 36.562 0.3 1 943 . 77 GLU HG3 H 2.300 0.03 2 944 . 77 GLU HG2 H 2.270 0.03 2 945 . 77 GLU C C 175.592 0.1 1 946 . 78 VAL N N 125.286 0.2 1 947 . 78 VAL H H 8.512 0.03 1 948 . 78 VAL CA C 59.020 0.3 1 949 . 78 VAL HA H 4.490 0.03 1 950 . 78 VAL CB C 35.700 0.3 1 951 . 78 VAL HB H 2.020 0.03 1 952 . 78 VAL CG2 C 21.800 0.3 1 953 . 78 VAL HG2 H 0.840 0.03 1 954 . 78 VAL CG1 C 21.800 0.3 1 955 . 78 VAL HG1 H 0.840 0.03 1 956 . 78 VAL C C 171.900 0.1 1 957 . 79 PRO CA C 62.634 0.3 1 958 . 79 PRO HA H 4.634 0.03 1 959 . 79 PRO CB C 32.933 0.3 1 960 . 79 PRO HB3 H 1.980 0.03 2 961 . 79 PRO HB2 H 2.545 0.03 2 962 . 79 PRO CG C 27.626 0.3 1 963 . 79 PRO HG3 H 2.090 0.03 2 964 . 79 PRO HG2 H 2.000 0.03 2 965 . 79 PRO CD C 51.396 0.3 1 966 . 79 PRO HD3 H 3.710 0.03 1 967 . 79 PRO HD2 H 3.710 0.03 1 968 . 79 PRO C C 177.384 0.1 1 969 . 80 PHE N N 125.683 0.2 1 970 . 80 PHE H H 9.288 0.03 1 971 . 80 PHE CA C 60.833 0.3 1 972 . 80 PHE HA H 4.760 0.03 1 973 . 80 PHE CB C 38.893 0.3 1 974 . 80 PHE HB3 H 3.520 0.03 2 975 . 80 PHE HB2 H 3.060 0.03 2 976 . 80 PHE CD1 C 131.400 0.3 1 977 . 80 PHE HD1 H 7.370 0.03 3 978 . 80 PHE CE1 C 130.200 0.3 1 979 . 80 PHE HE1 H 7.390 0.03 3 980 . 80 PHE CZ C 130.200 0.3 1 981 . 80 PHE HZ H 7.350 0.03 1 982 . 80 PHE CE2 C 130.200 0.3 1 983 . 80 PHE HE2 H 7.370 0.03 3 984 . 80 PHE CD2 C 131.400 0.3 1 985 . 80 PHE HD2 H 7.390 0.03 3 986 . 80 PHE C C 177.649 0.1 1 987 . 81 GLU N N 116.361 0.2 1 988 . 81 GLU H H 9.172 0.03 1 989 . 81 GLU CA C 58.787 0.3 1 990 . 81 GLU HA H 3.970 0.03 1 991 . 81 GLU CB C 28.653 0.3 1 992 . 81 GLU HB3 H 2.020 0.03 1 993 . 81 GLU HB2 H 2.020 0.03 1 994 . 81 GLU CG C 36.639 0.3 1 995 . 81 GLU HG3 H 2.260 0.03 2 996 . 81 GLU HG2 H 2.300 0.03 2 997 . 81 GLU C C 177.011 0.1 1 998 . 82 GLN N N 116.481 0.2 1 999 . 82 GLN H H 8.120 0.03 1 1000 . 82 GLN CA C 55.039 0.3 1 1001 . 82 GLN HA H 4.364 0.03 1 1002 . 82 GLN CB C 30.221 0.3 1 1003 . 82 GLN HB3 H 1.700 0.03 2 1004 . 82 GLN HB2 H 2.240 0.03 2 1005 . 82 GLN CG C 33.502 0.3 1 1006 . 82 GLN HG3 H 2.230 0.03 2 1007 . 82 GLN HG2 H 2.310 0.03 2 1008 . 82 GLN NE2 N 110.300 0.2 1 1009 . 82 GLN HE21 H 7.440 0.03 2 1010 . 82 GLN HE22 H 6.580 0.03 2 1011 . 82 GLN C C 177.709 0.1 1 1012 . 83 ILE N N 120.481 0.2 1 1013 . 83 ILE H H 7.182 0.03 1 1014 . 83 ILE CA C 61.087 0.3 1 1015 . 83 ILE HA H 3.990 0.03 1 1016 . 83 ILE CB C 38.513 0.3 1 1017 . 83 ILE HB H 1.530 0.03 1 1018 . 83 ILE CG1 C 29.530 0.3 1 1019 . 83 ILE HG13 H 1.010 0.03 1 1020 . 83 ILE HG12 H 0.200 0.03 1 1021 . 83 ILE CD1 C 14.895 0.3 1 1022 . 83 ILE HD1 H 0.340 0.03 1 1023 . 83 ILE CG2 C 19.470 0.3 1 1024 . 83 ILE HG2 H 0.840 0.03 1 1025 . 83 ILE C C 174.875 0.1 1 1026 . 84 GLN N N 116.286 0.2 1 1027 . 84 GLN H H 8.118 0.03 1 1028 . 84 GLN CA C 56.990 0.3 1 1029 . 84 GLN HA H 4.540 0.03 1 1030 . 84 GLN CB C 27.944 0.3 1 1031 . 84 GLN HB3 H 2.270 0.03 2 1032 . 84 GLN HB2 H 1.820 0.03 2 1033 . 84 GLN CG C 34.269 0.3 1 1034 . 84 GLN HG3 H 2.190 0.03 2 1035 . 84 GLN HG2 H 2.370 0.03 2 1036 . 84 GLN NE2 N 111.300 0.2 1 1037 . 84 GLN HE21 H 7.410 0.03 2 1038 . 84 GLN HE22 H 6.700 0.03 2 1039 . 84 GLN C C 176.512 0.1 1 1040 . 85 LYS N N 114.985 0.2 1 1041 . 85 LYS H H 7.793 0.03 1 1042 . 85 LYS CA C 55.024 0.3 1 1043 . 85 LYS HA H 4.090 0.03 1 1044 . 85 LYS CB C 33.544 0.3 1 1045 . 85 LYS HB3 H 1.800 0.03 2 1046 . 85 LYS HB2 H 1.580 0.03 2 1047 . 85 LYS CG C 24.798 0.3 1 1048 . 85 LYS HG3 H 1.180 0.03 2 1049 . 85 LYS HG2 H 0.960 0.03 2 1050 . 85 LYS CD C 28.789 0.3 1 1051 . 85 LYS HD3 H 1.340 0.03 2 1052 . 85 LYS HD2 H 1.360 0.03 2 1053 . 85 LYS CE C 42.212 0.3 1 1054 . 85 LYS HE3 H 2.820 0.03 1 1055 . 85 LYS HE2 H 2.820 0.03 1 1056 . 85 LYS C C 175.939 0.1 1 1057 . 86 VAL N N 113.392 0.2 1 1058 . 86 VAL H H 6.982 0.03 1 1059 . 86 VAL CA C 60.502 0.3 1 1060 . 86 VAL HA H 4.870 0.03 1 1061 . 86 VAL CB C 34.087 0.3 1 1062 . 86 VAL HB H 2.240 0.03 1 1063 . 86 VAL CG2 C 20.010 0.3 1 1064 . 86 VAL HG2 H 1.010 0.03 1 1065 . 86 VAL CG1 C 21.700 0.3 1 1066 . 86 VAL HG1 H 0.880 0.03 1 1067 . 86 VAL C C 174.900 0.1 1 1068 . 87 GLN N N 118.396 0.2 1 1069 . 87 GLN H H 8.552 0.03 1 1070 . 87 GLN CA C 54.358 0.3 1 1071 . 87 GLN HA H 4.615 0.03 1 1072 . 87 GLN CB C 30.973 0.3 1 1073 . 87 GLN HB3 H 1.310 0.03 2 1074 . 87 GLN HB2 H 1.800 0.03 2 1075 . 87 GLN CG C 34.099 0.3 1 1076 . 87 GLN HG3 H 1.980 0.03 1 1077 . 87 GLN HG2 H 1.980 0.03 1 1078 . 87 GLN NE2 N 110.300 0.2 1 1079 . 87 GLN HE21 H 7.260 0.03 2 1080 . 87 GLN HE22 H 6.640 0.03 2 1081 . 87 GLN C C 174.500 0.1 1 1082 . 88 VAL N N 121.990 0.2 1 1083 . 88 VAL H H 8.377 0.03 1 1084 . 88 VAL CA C 61.546 0.3 1 1085 . 88 VAL HA H 4.373 0.03 1 1086 . 88 VAL CB C 32.170 0.3 1 1087 . 88 VAL HB H 1.770 0.03 1 1088 . 88 VAL CG2 C 21.500 0.3 1 1089 . 88 VAL HG2 H 0.640 0.03 1 1090 . 88 VAL CG1 C 20.640 0.3 1 1091 . 88 VAL HG1 H 0.380 0.03 1 1092 . 88 VAL C C 173.999 0.1 1 1093 . 89 VAL N N 127.696 0.2 1 1094 . 89 VAL H H 9.022 0.03 1 1095 . 89 VAL CA C 61.146 0.3 1 1096 . 89 VAL HA H 4.362 0.03 1 1097 . 89 VAL CB C 33.124 0.3 1 1098 . 89 VAL HB H 1.835 0.03 1 1099 . 89 VAL CG2 C 21.300 0.3 1 1100 . 89 VAL HG2 H 0.670 0.03 1 1101 . 89 VAL CG1 C 22.120 0.3 1 1102 . 89 VAL HG1 H 0.790 0.03 1 1103 . 89 VAL C C 174.933 0.1 1 1104 . 90 VAL N N 130.085 0.2 1 1105 . 90 VAL H H 9.144 0.03 1 1106 . 90 VAL CA C 61.186 0.3 1 1107 . 90 VAL HA H 4.587 0.03 1 1108 . 90 VAL CB C 33.532 0.3 1 1109 . 90 VAL HB H 1.690 0.03 1 1110 . 90 VAL CG2 C 19.500 0.3 1 1111 . 90 VAL HG2 H 0.051 0.03 1 1112 . 90 VAL CG1 C 21.600 0.3 1 1113 . 90 VAL HG1 H 0.447 0.03 1 1114 . 90 VAL C C 173.673 0.1 1 1115 . 91 THR N N 122.204 0.2 1 1116 . 91 THR H H 8.793 0.03 1 1117 . 91 THR CA C 61.354 0.3 1 1118 . 91 THR HA H 4.820 0.03 1 1119 . 91 THR CB C 70.568 0.3 1 1120 . 91 THR HB H 3.703 0.03 1 1121 . 91 THR CG2 C 21.600 0.3 1 1122 . 91 THR HG2 H 1.080 0.03 1 1123 . 91 THR C C 173.021 0.1 1 1124 . 92 VAL N N 125.396 0.2 1 1125 . 92 VAL H H 8.712 0.03 1 1126 . 92 VAL CA C 61.063 0.3 1 1127 . 92 VAL HA H 4.653 0.03 1 1128 . 92 VAL CB C 32.010 0.3 1 1129 . 92 VAL HB H 1.821 0.03 1 1130 . 92 VAL CG2 C 23.360 0.3 1 1131 . 92 VAL HG2 H 0.850 0.03 1 1132 . 92 VAL CG1 C 21.860 0.3 1 1133 . 92 VAL HG1 H 0.910 0.03 1 1134 . 92 VAL C C 174.397 0.1 1 1135 . 93 LEU N N 127.909 0.2 1 1136 . 93 LEU H H 9.003 0.03 1 1137 . 93 LEU CA C 55.152 0.3 1 1138 . 93 LEU HA H 4.890 0.03 1 1139 . 93 LEU CB C 44.804 0.3 1 1140 . 93 LEU HB3 H 1.090 0.03 2 1141 . 93 LEU HB2 H 0.450 0.03 2 1142 . 93 LEU CG C 28.590 0.3 1 1143 . 93 LEU HG H 1.180 0.03 1 1144 . 93 LEU CD1 C 26.800 0.3 1 1145 . 93 LEU HD1 H 0.460 0.03 1 1146 . 93 LEU CD2 C 26.100 0.3 1 1147 . 93 LEU HD2 H 0.710 0.03 1 1148 . 93 LEU C C 173.442 0.1 1 1149 . 94 ASP N N 116.654 0.2 1 1150 . 94 ASP H H 8.360 0.03 1 1151 . 94 ASP CA C 51.901 0.3 1 1152 . 94 ASP HA H 4.781 0.03 1 1153 . 94 ASP CB C 44.018 0.3 1 1154 . 94 ASP HB3 H 2.350 0.03 2 1155 . 94 ASP HB2 H 2.633 0.03 2 1156 . 94 ASP C C 175.014 0.1 1 1157 . 95 TYR N N 128.253 0.2 1 1158 . 95 TYR H H 9.520 0.03 1 1159 . 95 TYR CA C 60.021 0.3 1 1160 . 95 TYR HA H 4.471 0.03 1 1161 . 95 TYR CB C 39.236 0.3 1 1162 . 95 TYR HB3 H 3.095 0.03 1 1163 . 95 TYR HB2 H 3.095 0.03 1 1164 . 95 TYR CD1 C 132.700 0.3 1 1165 . 95 TYR HD1 H 6.920 0.03 1 1166 . 95 TYR CE1 C 118.000 0.3 1 1167 . 95 TYR HE1 H 6.660 0.03 1 1168 . 95 TYR CE2 C 118.000 0.3 1 1169 . 95 TYR HE2 H 6.660 0.03 1 1170 . 95 TYR CD2 C 132.700 0.3 1 1171 . 95 TYR HD2 H 6.920 0.03 1 1172 . 95 TYR C C 175.366 0.1 1 1173 . 96 ASP N N 130.803 0.2 1 1174 . 96 ASP H H 7.500 0.03 1 1175 . 96 ASP CA C 53.168 0.3 1 1176 . 96 ASP HA H 4.732 0.03 1 1177 . 96 ASP CB C 42.323 0.3 1 1178 . 96 ASP HB3 H 2.438 0.03 2 1179 . 96 ASP HB2 H 2.664 0.03 2 1180 . 96 ASP C C 173.315 0.1 1 1181 . 97 LYS N N 120.318 0.2 1 1182 . 97 LYS H H 8.117 0.03 1 1183 . 97 LYS CA C 57.571 0.3 1 1184 . 97 LYS HA H 3.930 0.03 1 1185 . 97 LYS CB C 33.445 0.3 1 1186 . 97 LYS HB3 H 1.810 0.03 1 1187 . 97 LYS HB2 H 1.810 0.03 1 1188 . 97 LYS CG C 24.557 0.3 1 1189 . 97 LYS HG3 H 1.360 0.03 1 1190 . 97 LYS HG2 H 1.360 0.03 1 1191 . 97 LYS CD C 29.499 0.3 1 1192 . 97 LYS HD3 H 1.690 0.03 1 1193 . 97 LYS HD2 H 1.690 0.03 1 1194 . 97 LYS CE C 42.230 0.3 1 1195 . 97 LYS HE3 H 3.000 0.03 1 1196 . 97 LYS HE2 H 3.000 0.03 1 1197 . 97 LYS C C 175.728 0.1 1 1198 . 98 ILE N N 117.498 0.2 1 1199 . 98 ILE H H 7.779 0.03 1 1200 . 98 ILE CA C 60.939 0.3 1 1201 . 98 ILE HA H 4.160 0.03 1 1202 . 98 ILE CB C 38.609 0.3 1 1203 . 98 ILE HB H 1.780 0.03 1 1204 . 98 ILE CG1 C 27.540 0.3 1 1205 . 98 ILE HG13 H 1.470 0.03 1 1206 . 98 ILE HG12 H 1.160 0.03 1 1207 . 98 ILE CD1 C 12.872 0.3 1 1208 . 98 ILE HD1 H 0.860 0.03 1 1209 . 98 ILE CG2 C 17.380 0.3 1 1210 . 98 ILE HG2 H 0.860 0.03 1 1211 . 98 ILE C C 176.195 0.1 1 1212 . 99 GLY N N 113.408 0.2 1 1213 . 99 GLY H H 8.323 0.03 1 1214 . 99 GLY CA C 44.439 0.3 1 1215 . 99 GLY HA3 H 3.738 0.03 2 1216 . 99 GLY HA2 H 4.192 0.03 2 1217 . 99 GLY C C 173.102 0.1 1 1218 . 100 LYS N N 121.422 0.2 1 1219 . 100 LYS H H 8.147 0.03 1 1220 . 100 LYS CA C 56.122 0.3 1 1221 . 100 LYS HA H 4.320 0.03 1 1222 . 100 LYS CB C 33.416 0.3 1 1223 . 100 LYS HB3 H 1.700 0.03 1 1224 . 100 LYS HB2 H 1.700 0.03 1 1225 . 100 LYS CG C 24.739 0.3 1 1226 . 100 LYS HG3 H 1.330 0.03 2 1227 . 100 LYS HG2 H 1.380 0.03 2 1228 . 100 LYS CD C 29.274 0.3 1 1229 . 100 LYS HD3 H 1.650 0.03 1 1230 . 100 LYS HD2 H 1.650 0.03 1 1231 . 100 LYS CE C 42.231 0.3 1 1232 . 100 LYS HE3 H 2.990 0.03 1 1233 . 100 LYS HE2 H 2.990 0.03 1 1234 . 100 LYS C C 175.352 0.1 1 1235 . 101 ASN N N 123.464 0.2 1 1236 . 101 ASN H H 8.580 0.03 1 1237 . 101 ASN CA C 52.091 0.3 1 1238 . 101 ASN HA H 5.070 0.03 1 1239 . 101 ASN CB C 39.971 0.3 1 1240 . 101 ASN HB3 H 2.800 0.03 1 1241 . 101 ASN HB2 H 2.800 0.03 1 1242 . 101 ASN ND2 N 113.400 0.2 1 1243 . 101 ASN HD21 H 7.560 0.03 2 1244 . 101 ASN HD22 H 6.920 0.03 2 1245 . 101 ASN C C 173.602 0.1 1 1246 . 102 ASP N N 123.216 0.2 1 1247 . 102 ASP H H 8.900 0.03 1 1248 . 102 ASP CA C 53.930 0.3 1 1249 . 102 ASP HA H 4.703 0.03 1 1250 . 102 ASP CB C 43.000 0.3 1 1251 . 102 ASP HB3 H 2.560 0.03 2 1252 . 102 ASP HB2 H 2.590 0.03 2 1253 . 102 ASP C C 175.197 0.1 1 1254 . 103 ALA N N 124.331 0.2 1 1255 . 103 ALA H H 8.920 0.03 1 1256 . 103 ALA CA C 52.546 0.3 1 1257 . 103 ALA HA H 4.308 0.03 1 1258 . 103 ALA CB C 17.865 0.3 1 1259 . 103 ALA HB H 1.183 0.03 1 1260 . 103 ALA C C 177.107 0.1 1 1261 . 104 ILE N N 122.995 0.2 1 1262 . 104 ILE H H 9.462 0.03 1 1263 . 104 ILE CA C 64.487 0.3 1 1264 . 104 ILE HA H 3.926 0.03 1 1265 . 104 ILE CB C 38.789 0.3 1 1266 . 104 ILE HB H 1.463 0.03 1 1267 . 104 ILE CG1 C 28.540 0.3 1 1268 . 104 ILE HG13 H 1.155 0.03 1 1269 . 104 ILE HG12 H 1.645 0.03 1 1270 . 104 ILE CD1 C 14.085 0.3 1 1271 . 104 ILE HD1 H 0.844 0.03 1 1272 . 104 ILE CG2 C 19.260 0.3 1 1273 . 104 ILE HG2 H 1.000 0.03 1 1274 . 104 ILE C C 176.161 0.1 1 1275 . 105 GLY N N 99.180 0.2 1 1276 . 105 GLY H H 7.378 0.03 1 1277 . 105 GLY CA C 46.133 0.3 1 1278 . 105 GLY HA3 H 4.147 0.03 2 1279 . 105 GLY HA2 H 3.960 0.03 2 1280 . 105 GLY C C 170.265 0.1 1 1281 . 106 LYS N N 120.162 0.2 1 1282 . 106 LYS H H 9.686 0.03 1 1283 . 106 LYS CA C 55.006 0.3 1 1284 . 106 LYS HA H 5.600 0.03 1 1285 . 106 LYS CB C 39.028 0.3 1 1286 . 106 LYS HB3 H 1.670 0.03 1 1287 . 106 LYS HB2 H 1.670 0.03 1 1288 . 106 LYS CG C 24.219 0.3 1 1289 . 106 LYS HG3 H 1.320 0.03 1 1290 . 106 LYS HG2 H 1.320 0.03 1 1291 . 106 LYS CD C 31.408 0.3 1 1292 . 106 LYS HD3 H 1.450 0.03 2 1293 . 106 LYS HD2 H 1.630 0.03 2 1294 . 106 LYS CE C 41.300 0.3 1 1295 . 106 LYS HE3 H 2.760 0.03 2 1296 . 106 LYS HE2 H 2.510 0.03 2 1297 . 106 LYS C C 173.604 0.1 1 1298 . 107 VAL N N 117.161 0.2 1 1299 . 107 VAL H H 8.967 0.03 1 1300 . 107 VAL CA C 60.720 0.3 1 1301 . 107 VAL HA H 4.710 0.03 1 1302 . 107 VAL CB C 35.450 0.3 1 1303 . 107 VAL HB H 2.260 0.03 1 1304 . 107 VAL CG2 C 21.300 0.3 1 1305 . 107 VAL HG2 H 0.860 0.03 1 1306 . 107 VAL CG1 C 21.400 0.3 1 1307 . 107 VAL HG1 H 0.950 0.03 1 1308 . 107 VAL C C 172.140 0.1 1 1309 . 108 PHE N N 121.330 0.2 1 1310 . 108 PHE H H 8.590 0.03 1 1311 . 108 PHE CA C 55.350 0.3 1 1312 . 108 PHE HA H 5.750 0.03 1 1313 . 108 PHE CB C 44.400 0.3 1 1314 . 108 PHE HB3 H 2.630 0.03 2 1315 . 108 PHE HB2 H 2.860 0.03 2 1316 . 108 PHE CD1 C 131.400 0.3 1 1317 . 108 PHE HD1 H 6.700 0.03 1 1318 . 108 PHE CE1 C 131.400 0.3 1 1319 . 108 PHE HE1 H 7.160 0.03 1 1320 . 108 PHE CZ C 129.500 0.3 1 1321 . 108 PHE HZ H 6.930 0.03 1 1322 . 108 PHE CE2 C 131.400 0.3 1 1323 . 108 PHE HE2 H 7.160 0.03 1 1324 . 108 PHE CD2 C 131.400 0.3 1 1325 . 108 PHE HD2 H 6.700 0.03 1 1326 . 108 PHE C C 171.610 0.1 1 1327 . 109 VAL N N 108.900 0.2 1 1328 . 109 VAL H H 8.360 0.03 1 1329 . 109 VAL CA C 58.100 0.3 1 1330 . 109 VAL HA H 4.160 0.03 1 1331 . 109 VAL CB C 35.100 0.3 1 1332 . 109 VAL HB H 2.170 0.03 1 1333 . 109 VAL CG2 C 19.800 0.3 1 1334 . 109 VAL HG2 H 0.920 0.03 1 1335 . 109 VAL CG1 C 21.800 0.3 1 1336 . 109 VAL HG1 H 0.940 0.03 1 1337 . 109 VAL C C 173.300 0.1 1 1338 . 110 GLY N N 104.400 0.2 1 1339 . 110 GLY H H 5.890 0.03 1 1340 . 110 GLY CA C 41.900 0.3 1 1341 . 110 GLY HA3 H 3.570 0.03 1 1342 . 110 GLY HA2 H 3.570 0.03 1 1343 . 111 TYR N N 126.100 0.2 1 1344 . 111 TYR H H 8.240 0.03 1 1345 . 111 TYR CA C 59.600 0.3 1 1346 . 111 TYR HA H 4.120 0.03 1 1347 . 111 TYR CB C 38.000 0.3 1 1348 . 111 TYR HB3 H 3.060 0.03 1 1349 . 111 TYR HB2 H 3.060 0.03 1 1350 . 111 TYR CD1 C 132.700 0.3 1 1351 . 111 TYR HD1 H 7.060 0.03 1 1352 . 111 TYR CE1 C 118.200 0.3 1 1353 . 111 TYR HE1 H 6.770 0.03 1 1354 . 111 TYR CE2 C 118.200 0.3 1 1355 . 111 TYR HE2 H 6.770 0.03 1 1356 . 111 TYR CD2 C 132.700 0.3 1 1357 . 111 TYR HD2 H 7.060 0.03 1 1358 . 111 TYR C C 175.350 0.1 1 1359 . 112 ASN CA C 53.800 0.3 1 1360 . 112 ASN HA H 4.230 0.03 1 1361 . 112 ASN CB C 36.900 0.3 1 1362 . 112 ASN HB3 H 2.470 0.03 2 1363 . 112 ASN HB2 H 2.850 0.03 2 1364 . 112 ASN ND2 N 110.280 0.2 1 1365 . 112 ASN HD21 H 7.290 0.03 2 1366 . 112 ASN HD22 H 6.330 0.03 2 1367 . 113 SER CA C 58.600 0.3 1 1368 . 113 SER HA H 4.130 0.03 1 1369 . 113 SER CB C 64.860 0.3 1 1370 . 113 SER HB3 H 3.080 0.03 2 1371 . 113 SER HB2 H 3.640 0.03 2 1372 . 113 SER C C 172.634 0.1 1 1373 . 114 THR N N 106.570 0.2 1 1374 . 114 THR H H 7.780 0.03 1 1375 . 114 THR CA C 60.032 0.3 1 1376 . 114 THR HA H 4.810 0.03 1 1377 . 114 THR CB C 72.685 0.3 1 1378 . 114 THR HB H 4.280 0.03 1 1379 . 114 THR CG2 C 21.513 0.3 1 1380 . 114 THR HG2 H 1.130 0.03 1 1381 . 114 THR C C 176.021 0.1 1 1382 . 115 GLY N N 108.575 0.2 1 1383 . 115 GLY H H 8.861 0.03 1 1384 . 115 GLY CA C 47.078 0.3 1 1385 . 115 GLY HA3 H 3.862 0.03 2 1386 . 115 GLY HA2 H 4.070 0.03 2 1387 . 115 GLY C C 175.953 0.1 1 1388 . 116 ALA N N 129.579 0.2 1 1389 . 116 ALA H H 9.343 0.03 1 1390 . 116 ALA CA C 54.240 0.3 1 1391 . 116 ALA HA H 4.182 0.03 1 1392 . 116 ALA CB C 18.156 0.3 1 1393 . 116 ALA HB H 1.556 0.03 1 1394 . 116 ALA C C 179.734 0.1 1 1395 . 117 GLU N N 121.733 0.2 1 1396 . 117 GLU H H 8.222 0.03 1 1397 . 117 GLU CA C 62.452 0.3 1 1398 . 117 GLU HA H 4.184 0.03 1 1399 . 117 GLU CB C 29.777 0.3 1 1400 . 117 GLU HB3 H 2.460 0.03 2 1401 . 117 GLU HB2 H 2.910 0.03 2 1402 . 117 GLU CG C 40.579 0.3 1 1403 . 117 GLU HG3 H 1.690 0.03 1 1404 . 117 GLU HG2 H 1.690 0.03 1 1405 . 117 GLU C C 176.054 0.1 1 1406 . 118 LEU N N 122.885 0.2 1 1407 . 118 LEU H H 6.640 0.03 1 1408 . 118 LEU CA C 56.810 0.3 1 1409 . 118 LEU HA H 4.253 0.03 1 1410 . 118 LEU CB C 40.250 0.3 1 1411 . 118 LEU HB3 H 1.270 0.03 2 1412 . 118 LEU HB2 H 1.600 0.03 2 1413 . 118 LEU CG C 27.000 0.3 1 1414 . 118 LEU HG H 1.540 0.03 1 1415 . 118 LEU CD1 C 21.800 0.3 1 1416 . 118 LEU HD1 H 0.960 0.03 1 1417 . 118 LEU CD2 C 25.300 0.3 1 1418 . 118 LEU HD2 H 0.990 0.03 1 1419 . 118 LEU C C 179.642 0.1 1 1420 . 119 ARG N N 120.062 0.2 1 1421 . 119 ARG H H 8.191 0.03 1 1422 . 119 ARG CA C 59.190 0.3 1 1423 . 119 ARG HA H 4.040 0.03 1 1424 . 119 ARG CB C 30.002 0.3 1 1425 . 119 ARG HB3 H 1.910 0.03 2 1426 . 119 ARG HB2 H 1.970 0.03 2 1427 . 119 ARG CG C 26.993 0.3 1 1428 . 119 ARG HG3 H 1.700 0.03 1 1429 . 119 ARG HG2 H 1.700 0.03 1 1430 . 119 ARG CD C 43.351 0.3 1 1431 . 119 ARG HD3 H 3.250 0.03 1 1432 . 119 ARG HD2 H 3.250 0.03 1 1433 . 119 ARG NE N 112.500 0.2 1 1434 . 119 ARG HE H 7.400 0.03 1 1435 . 119 ARG C C 177.294 0.1 1 1436 . 120 HIS N N 118.280 0.2 1 1437 . 120 HIS H H 7.597 0.03 1 1438 . 120 HIS CA C 57.354 0.3 1 1439 . 120 HIS HA H 4.640 0.03 1 1440 . 120 HIS CB C 32.875 0.3 1 1441 . 120 HIS HB3 H 3.380 0.03 1 1442 . 120 HIS HB2 H 3.380 0.03 1 1443 . 120 HIS CD2 C 117.000 0.3 1 1444 . 120 HIS HD2 H 7.210 0.03 1 1445 . 120 HIS NE2 N 164.100 0.2 1 1446 . 120 HIS HE2 H 11.800 0.03 1 1447 . 120 HIS CE1 C 138.600 0.3 1 1448 . 120 HIS HE1 H 7.900 0.03 1 1449 . 120 HIS C C 177.255 0.1 1 1450 . 121 TRP N N 118.741 0.2 1 1451 . 121 TRP H H 7.702 0.03 1 1452 . 121 TRP CA C 60.159 0.3 1 1453 . 121 TRP HA H 4.120 0.03 1 1454 . 121 TRP CB C 30.776 0.3 1 1455 . 121 TRP HB3 H 3.530 0.03 2 1456 . 121 TRP HB2 H 3.130 0.03 2 1457 . 121 TRP CD1 C 126.700 0.3 4 1458 . 121 TRP HD1 H 7.090 0.03 1 1459 . 121 TRP NE1 N 128.300 0.2 1 1460 . 121 TRP HE1 H 9.640 0.03 4 1461 . 121 TRP CZ2 C 116.000 0.3 4 1462 . 121 TRP HZ2 H 7.720 0.03 4 1463 . 121 TRP CH2 C 123.700 0.3 1 1464 . 121 TRP HH2 H 6.630 0.03 1 1465 . 121 TRP CZ3 C 120.300 0.3 4 1466 . 121 TRP HZ3 H 6.560 0.03 4 1467 . 121 TRP CE3 C 120.100 0.3 4 1468 . 121 TRP HE3 H 7.070 0.03 4 1469 . 121 TRP C C 176.941 0.1 1 1470 . 122 SER N N 113.200 0.2 1 1471 . 122 SER H H 9.106 0.03 1 1472 . 122 SER CA C 61.900 0.3 1 1473 . 122 SER HA H 4.110 0.03 1 1474 . 122 SER CB C 62.700 0.3 1 1475 . 122 SER HB3 H 4.000 0.03 2 1476 . 122 SER HB2 H 4.110 0.03 2 1477 . 122 SER C C 177.500 0.1 1 1478 . 123 ASP N N 124.070 0.2 1 1479 . 123 ASP H H 8.920 0.03 1 1480 . 123 ASP CA C 57.575 0.3 1 1481 . 123 ASP HA H 4.460 0.03 1 1482 . 123 ASP CB C 40.047 0.3 1 1483 . 123 ASP HB3 H 2.580 0.03 2 1484 . 123 ASP HB2 H 3.090 0.03 2 1485 . 123 ASP C C 178.900 0.1 1 1486 . 124 MET N N 121.975 0.2 1 1487 . 124 MET H H 8.012 0.03 1 1488 . 124 MET CA C 59.200 0.3 1 1489 . 124 MET HA H 4.000 0.03 1 1490 . 124 MET CB C 32.210 0.3 1 1491 . 124 MET HB3 H 1.760 0.03 2 1492 . 124 MET HB2 H 2.300 0.03 2 1493 . 124 MET CG C 31.190 0.3 1 1494 . 124 MET HG3 H 1.700 0.03 2 1495 . 124 MET HG2 H 2.280 0.03 2 1496 . 124 MET CE C 17.200 0.3 1 1497 . 124 MET HE H 1.880 0.03 1 1498 . 124 MET C C 178.930 0.1 1 1499 . 125 LEU N N 118.563 0.2 1 1500 . 125 LEU H H 7.651 0.03 1 1501 . 125 LEU CA C 56.805 0.3 1 1502 . 125 LEU HA H 3.970 0.03 1 1503 . 125 LEU CB C 41.568 0.3 1 1504 . 125 LEU HB3 H 1.390 0.03 2 1505 . 125 LEU HB2 H 1.760 0.03 2 1506 . 125 LEU CG C 25.920 0.3 1 1507 . 125 LEU HG H 1.120 0.03 1 1508 . 125 LEU CD1 C 25.700 0.3 1 1509 . 125 LEU HD1 H 0.670 0.03 1 1510 . 125 LEU CD2 C 22.900 0.3 1 1511 . 125 LEU HD2 H 0.470 0.03 1 1512 . 125 LEU C C 178.248 0.1 1 1513 . 126 ALA N N 118.723 0.2 1 1514 . 126 ALA H H 7.916 0.03 1 1515 . 126 ALA CA C 52.723 0.3 1 1516 . 126 ALA HA H 4.320 0.03 1 1517 . 126 ALA CB C 19.412 0.3 1 1518 . 126 ALA HB H 1.530 0.03 1 1519 . 126 ALA C C 176.821 0.1 1 1520 . 127 ASN N N 116.007 0.2 1 1521 . 127 ASN H H 7.228 0.03 1 1522 . 127 ASN CA C 50.960 0.3 1 1523 . 127 ASN HA H 5.220 0.03 1 1524 . 127 ASN CB C 40.700 0.3 1 1525 . 127 ASN HB3 H 2.570 0.03 2 1526 . 127 ASN HB2 H 2.790 0.03 2 1527 . 127 ASN ND2 N 116.600 0.2 1 1528 . 127 ASN HD21 H 8.260 0.03 2 1529 . 127 ASN HD22 H 7.190 0.03 2 1530 . 127 ASN C C 170.700 0.1 1 1531 . 128 PRO CA C 63.901 0.3 1 1532 . 128 PRO HA H 4.730 0.03 1 1533 . 128 PRO CB C 32.238 0.3 1 1534 . 128 PRO HB3 H 2.010 0.03 2 1535 . 128 PRO HB2 H 2.340 0.03 2 1536 . 128 PRO CG C 27.568 0.3 1 1537 . 128 PRO HG3 H 2.050 0.03 2 1538 . 128 PRO HG2 H 2.120 0.03 2 1539 . 128 PRO CD C 50.390 0.3 1 1540 . 128 PRO HD3 H 3.490 0.03 2 1541 . 128 PRO HD2 H 3.680 0.03 2 1542 . 128 PRO C C 177.416 0.1 1 1543 . 129 ARG N N 111.807 0.2 1 1544 . 129 ARG H H 8.381 0.03 1 1545 . 129 ARG CA C 58.720 0.3 1 1546 . 129 ARG HA H 3.570 0.03 1 1547 . 129 ARG CB C 28.919 0.3 1 1548 . 129 ARG HB3 H 2.350 0.03 2 1549 . 129 ARG HB2 H 2.070 0.03 2 1550 . 129 ARG CG C 28.500 0.3 1 1551 . 129 ARG HG3 H 1.630 0.03 1 1552 . 129 ARG HG2 H 1.630 0.03 1 1553 . 129 ARG CD C 43.250 0.3 1 1554 . 129 ARG HD3 H 3.240 0.03 2 1555 . 129 ARG HD2 H 3.350 0.03 2 1556 . 129 ARG C C 174.910 0.1 1 1557 . 130 ARG N N 121.099 0.2 1 1558 . 130 ARG H H 8.060 0.03 1 1559 . 130 ARG CA C 52.920 0.3 1 1560 . 130 ARG HA H 4.920 0.03 1 1561 . 130 ARG CB C 31.700 0.3 1 1562 . 130 ARG HB3 H 1.790 0.03 2 1563 . 130 ARG HB2 H 1.880 0.03 2 1564 . 130 ARG CG C 26.400 0.3 1 1565 . 130 ARG HG3 H 1.560 0.03 2 1566 . 130 ARG HG2 H 1.632 0.03 2 1567 . 130 ARG CD C 43.400 0.3 1 1568 . 130 ARG HD3 H 3.140 0.03 1 1569 . 130 ARG HD2 H 3.140 0.03 1 1570 . 130 ARG C C 173.100 0.1 1 1571 . 131 PRO CA C 61.469 0.3 1 1572 . 131 PRO HA H 4.887 0.03 1 1573 . 131 PRO CB C 31.152 0.3 1 1574 . 131 PRO HB3 H 2.020 0.03 2 1575 . 131 PRO HB2 H 1.840 0.03 2 1576 . 131 PRO CG C 27.287 0.3 1 1577 . 131 PRO HG3 H 2.050 0.03 2 1578 . 131 PRO HG2 H 2.290 0.03 2 1579 . 131 PRO CD C 50.048 0.3 1 1580 . 131 PRO HD3 H 3.790 0.03 1 1581 . 131 PRO HD2 H 3.790 0.03 1 1582 . 131 PRO C C 176.646 0.1 1 1583 . 132 ILE N N 123.988 0.2 1 1584 . 132 ILE H H 9.064 0.03 1 1585 . 132 ILE CA C 58.279 0.3 1 1586 . 132 ILE HA H 4.560 0.03 1 1587 . 132 ILE CB C 39.130 0.3 1 1588 . 132 ILE HB H 2.140 0.03 1 1589 . 132 ILE CG1 C 26.000 0.3 1 1590 . 132 ILE HG13 H 1.330 0.03 1 1591 . 132 ILE HG12 H 1.770 0.03 1 1592 . 132 ILE CD1 C 11.040 0.3 1 1593 . 132 ILE HD1 H 0.780 0.03 1 1594 . 132 ILE CG2 C 18.000 0.3 1 1595 . 132 ILE HG2 H 1.040 0.03 1 1596 . 132 ILE C C 176.507 0.1 1 1597 . 133 ALA N N 137.945 0.2 1 1598 . 133 ALA H H 9.590 0.03 1 1599 . 133 ALA CA C 50.900 0.3 1 1600 . 133 ALA HA H 5.054 0.03 1 1601 . 133 ALA CB C 20.292 0.3 1 1602 . 133 ALA HB H 1.109 0.03 1 1603 . 133 ALA C C 175.282 0.1 1 1604 . 134 GLN N N 119.758 0.2 1 1605 . 134 GLN H H 7.661 0.03 1 1606 . 134 GLN CA C 54.954 0.3 1 1607 . 134 GLN HA H 4.122 0.03 1 1608 . 134 GLN CB C 32.602 0.3 1 1609 . 134 GLN HB3 H 0.720 0.03 2 1610 . 134 GLN HB2 H 0.810 0.03 2 1611 . 134 GLN CG C 34.027 0.3 1 1612 . 134 GLN HG3 H 1.875 0.03 2 1613 . 134 GLN HG2 H 2.161 0.03 2 1614 . 134 GLN NE2 N 108.800 0.2 1 1615 . 134 GLN HE21 H 6.650 0.03 2 1616 . 134 GLN HE22 H 6.500 0.03 2 1617 . 134 GLN C C 173.749 0.1 1 1618 . 135 TRP N N 123.467 0.2 1 1619 . 135 TRP H H 8.336 0.03 1 1620 . 135 TRP CA C 57.930 0.3 1 1621 . 135 TRP HA H 4.650 0.03 1 1622 . 135 TRP CB C 30.183 0.3 1 1623 . 135 TRP HB3 H 3.210 0.03 2 1624 . 135 TRP HB2 H 2.860 0.03 2 1625 . 135 TRP CD1 C 127.800 0.3 4 1626 . 135 TRP HD1 H 7.290 0.03 1 1627 . 135 TRP NE1 N 131.100 0.2 1 1628 . 135 TRP HE1 H 10.300 0.03 4 1629 . 135 TRP CZ2 C 115.200 0.3 4 1630 . 135 TRP HZ2 H 7.480 0.03 4 1631 . 135 TRP CH2 C 124.200 0.3 1 1632 . 135 TRP HH2 H 6.860 0.03 1 1633 . 135 TRP CZ3 C 120.300 0.3 4 1634 . 135 TRP HZ3 H 6.790 0.03 4 1635 . 135 TRP CE3 C 120.500 0.3 4 1636 . 135 TRP HE3 H 7.280 0.03 4 1637 . 135 TRP C C 176.298 0.1 1 1638 . 136 HIS N N 117.360 0.2 1 1639 . 136 HIS H H 9.520 0.03 1 1640 . 136 HIS CA C 55.001 0.3 1 1641 . 136 HIS HA H 4.876 0.03 1 1642 . 136 HIS CB C 33.378 0.3 1 1643 . 136 HIS HB3 H 2.823 0.03 2 1644 . 136 HIS HB2 H 3.157 0.03 2 1645 . 136 HIS CD2 C 121.700 0.3 1 1646 . 136 HIS HD2 H 6.270 0.03 1 1647 . 136 HIS CE1 C 134.100 0.3 1 1648 . 136 HIS HE1 H 8.290 0.03 1 1649 . 136 HIS C C 173.596 0.1 1 1650 . 137 THR N N 122.757 0.2 1 1651 . 137 THR H H 9.467 0.03 1 1652 . 137 THR CA C 62.500 0.3 1 1653 . 137 THR HA H 4.986 0.03 1 1654 . 137 THR CB C 70.300 0.3 1 1655 . 137 THR HB H 4.029 0.03 1 1656 . 137 THR CG2 C 22.591 0.3 1 1657 . 137 THR HG2 H 1.441 0.03 1 1658 . 137 THR C C 174.400 0.1 1 1659 . 138 LEU N N 124.966 0.2 1 1660 . 138 LEU H H 8.790 0.03 1 1661 . 138 LEU CA C 55.663 0.3 1 1662 . 138 LEU HA H 4.015 0.03 1 1663 . 138 LEU CB C 42.935 0.3 1 1664 . 138 LEU HB3 H 1.890 0.03 2 1665 . 138 LEU HB2 H 0.940 0.03 2 1666 . 138 LEU CG C 27.056 0.3 1 1667 . 138 LEU HG H 1.510 0.03 1 1668 . 138 LEU CD1 C 25.515 0.3 1 1669 . 138 LEU HD1 H 0.520 0.03 1 1670 . 138 LEU CD2 C 22.242 0.3 1 1671 . 138 LEU HD2 H 0.630 0.03 1 1672 . 138 LEU C C 175.476 0.1 1 1673 . 139 GLN N N 119.594 0.2 1 1674 . 139 GLN H H 8.538 0.03 1 1675 . 139 GLN CA C 53.737 0.3 1 1676 . 139 GLN HA H 4.737 0.03 1 1677 . 139 GLN CB C 31.875 0.3 1 1678 . 139 GLN HB3 H 2.010 0.03 2 1679 . 139 GLN HB2 H 2.220 0.03 2 1680 . 139 GLN CG C 33.873 0.3 1 1681 . 139 GLN HG3 H 2.470 0.03 1 1682 . 139 GLN HG2 H 2.470 0.03 1 1683 . 139 GLN NE2 N 111.300 0.2 1 1684 . 139 GLN HE21 H 7.690 0.03 2 1685 . 139 GLN HE22 H 6.700 0.03 2 1686 . 139 GLN C C 175.208 0.1 1 1687 . 140 VAL N N 120.013 0.2 1 1688 . 140 VAL H H 8.470 0.03 1 1689 . 140 VAL CA C 63.005 0.3 1 1690 . 140 VAL HA H 3.944 0.03 1 1691 . 140 VAL CB C 32.391 0.3 1 1692 . 140 VAL HB H 2.101 0.03 1 1693 . 140 VAL CG2 C 22.310 0.3 2 1694 . 140 VAL HG2 H 1.200 0.03 2 1695 . 140 VAL CG1 C 22.314 0.3 2 1696 . 140 VAL HG1 H 1.194 0.03 2 1697 . 140 VAL C C 178.099 0.1 1 1698 . 141 GLU N N 127.132 0.2 1 1699 . 141 GLU H H 8.974 0.03 1 1700 . 141 GLU CA C 60.601 0.3 1 1701 . 141 GLU HA H 3.600 0.03 1 1702 . 141 GLU CB C 29.994 0.3 1 1703 . 141 GLU HB3 H 1.830 0.03 2 1704 . 141 GLU HB2 H 2.020 0.03 2 1705 . 141 GLU CG C 36.068 0.3 1 1706 . 141 GLU HG3 H 2.030 0.03 1 1707 . 141 GLU HG2 H 2.030 0.03 1 1708 . 141 GLU C C 176.883 0.1 1 1709 . 142 GLU N N 116.036 0.2 1 1710 . 142 GLU H H 9.113 0.03 1 1711 . 142 GLU CA C 59.886 0.3 1 1712 . 142 GLU HA H 4.060 0.03 1 1713 . 142 GLU CB C 29.041 0.3 1 1714 . 142 GLU HB3 H 2.000 0.03 1 1715 . 142 GLU HB2 H 2.000 0.03 1 1716 . 142 GLU CG C 36.520 0.3 1 1717 . 142 GLU HG3 H 2.330 0.03 2 1718 . 142 GLU HG2 H 2.360 0.03 2 1719 . 142 GLU C C 179.109 0.1 1 1720 . 143 GLU N N 118.600 0.2 1 1721 . 143 GLU H H 7.171 0.03 1 1722 . 143 GLU CA C 58.449 0.3 1 1723 . 143 GLU HA H 4.144 0.03 1 1724 . 143 GLU CB C 29.431 0.3 1 1725 . 143 GLU HB3 H 2.150 0.03 1 1726 . 143 GLU HB2 H 2.150 0.03 1 1727 . 143 GLU CG C 36.429 0.3 1 1728 . 143 GLU HG3 H 2.290 0.03 1 1729 . 143 GLU HG2 H 2.290 0.03 1 1730 . 143 GLU C C 178.857 0.1 1 1731 . 144 VAL N N 121.117 0.2 1 1732 . 144 VAL H H 7.603 0.03 1 1733 . 144 VAL CA C 65.980 0.3 1 1734 . 144 VAL HA H 3.764 0.03 1 1735 . 144 VAL CB C 31.607 0.3 1 1736 . 144 VAL HB H 1.801 0.03 1 1737 . 144 VAL CG2 C 23.600 0.3 1 1738 . 144 VAL HG2 H 1.000 0.03 1 1739 . 144 VAL CG1 C 22.000 0.3 1 1740 . 144 VAL HG1 H 0.910 0.03 1 1741 . 144 VAL C C 177.983 0.1 1 1742 . 145 ASP N N 120.250 0.2 1 1743 . 145 ASP H H 8.702 0.03 1 1744 . 145 ASP CA C 57.439 0.3 1 1745 . 145 ASP HA H 4.179 0.03 1 1746 . 145 ASP CB C 38.953 0.3 1 1747 . 145 ASP HB2 H 2.459 0.03 2 1748 . 145 ASP C C 178.950 0.1 1 1749 . 146 ALA N N 121.123 0.2 1 1750 . 146 ALA H H 7.337 0.03 1 1751 . 146 ALA CA C 54.594 0.3 1 1752 . 146 ALA HA H 4.130 0.03 1 1753 . 146 ALA CB C 18.000 0.3 1 1754 . 146 ALA HB H 1.470 0.03 1 1755 . 146 ALA C C 179.895 0.1 1 1756 . 147 MET N N 117.129 0.2 1 1757 . 147 MET H H 7.510 0.03 1 1758 . 147 MET CA C 57.389 0.3 1 1759 . 147 MET HA H 4.260 0.03 1 1760 . 147 MET CB C 32.981 0.3 1 1761 . 147 MET HB3 H 2.400 0.03 2 1762 . 147 MET HB2 H 2.220 0.03 2 1763 . 147 MET CG C 32.200 0.3 1 1764 . 147 MET HG3 H 2.880 0.03 2 1765 . 147 MET HG2 H 2.700 0.03 2 1766 . 147 MET CE C 17.200 0.3 1 1767 . 147 MET HE H 2.200 0.03 1 1768 . 147 MET C C 177.989 0.1 1 1769 . 148 LEU N N 118.594 0.2 1 1770 . 148 LEU H H 7.600 0.03 1 1771 . 148 LEU CA C 55.539 0.3 1 1772 . 148 LEU HA H 3.660 0.03 1 1773 . 148 LEU CB C 42.605 0.3 1 1774 . 148 LEU HB3 H 1.500 0.03 2 1775 . 148 LEU HB2 H 1.110 0.03 2 1776 . 148 LEU CG C 26.214 0.3 1 1777 . 148 LEU HG H 1.090 0.03 1 1778 . 148 LEU CD1 C 25.900 0.3 1 1779 . 148 LEU HD1 H 0.430 0.03 1 1780 . 148 LEU CD2 C 21.180 0.3 1 1781 . 148 LEU HD2 H -0.380 0.03 1 1782 . 148 LEU C C 176.924 0.1 1 1783 . 149 ALA N N 120.378 0.2 1 1784 . 149 ALA H H 7.150 0.03 1 1785 . 149 ALA CA C 52.226 0.3 1 1786 . 149 ALA HA H 4.130 0.03 1 1787 . 149 ALA CB C 18.733 0.3 1 1788 . 149 ALA HB H 1.310 0.03 1 1789 . 149 ALA C C 177.084 0.1 1 1790 . 150 VAL N N 118.851 0.2 1 1791 . 150 VAL H H 7.591 0.03 1 1792 . 150 VAL CA C 62.667 0.3 1 1793 . 150 VAL HA H 3.903 0.03 1 1794 . 150 VAL CB C 32.390 0.3 1 1795 . 150 VAL HB H 1.970 0.03 1 1796 . 150 VAL CG2 C 20.900 0.3 1 1797 . 150 VAL HG2 H 0.910 0.03 1 1798 . 150 VAL CG1 C 21.188 0.3 1 1799 . 150 VAL HG1 H 0.870 0.03 1 1800 . 150 VAL C C 175.795 0.1 1 1801 . 151 LYS N N 126.540 0.2 1 1802 . 151 LYS H H 8.306 0.03 1 1803 . 151 LYS CA C 55.877 0.3 1 1804 . 151 LYS HA H 4.352 0.03 1 1805 . 151 LYS CB C 32.997 0.3 1 1806 . 151 LYS HB3 H 1.710 0.03 2 1807 . 151 LYS HB2 H 1.820 0.03 2 1808 . 151 LYS CG C 24.630 0.3 1 1809 . 151 LYS HG3 H 1.410 0.03 1 1810 . 151 LYS HG2 H 1.410 0.03 1 1811 . 151 LYS CD C 29.042 0.3 1 1812 . 151 LYS HD3 H 1.660 0.03 1 1813 . 151 LYS HD2 H 1.660 0.03 1 1814 . 151 LYS CE C 42.248 0.3 1 1815 . 151 LYS HE3 H 2.980 0.03 1 1816 . 151 LYS HE2 H 2.980 0.03 1 1817 . 151 LYS C C 175.254 0.1 1 1818 . 152 LYS N N 128.540 0.2 1 1819 . 152 LYS H H 7.932 0.03 1 1820 . 152 LYS CA C 57.490 0.3 1 1821 . 152 LYS HA H 4.130 0.03 1 1822 . 152 LYS CB C 33.540 0.3 1 1823 . 152 LYS HB3 H 1.670 0.03 2 1824 . 152 LYS HB2 H 1.770 0.03 2 1825 . 152 LYS CG C 24.800 0.3 1 1826 . 152 LYS HG3 H 1.350 0.03 1 1827 . 152 LYS HG2 H 1.350 0.03 1 1828 . 152 LYS CD C 29.000 0.3 1 1829 . 152 LYS HD3 H 1.630 0.03 1 1830 . 152 LYS HD2 H 1.630 0.03 1 1831 . 152 LYS CE C 42.300 0.3 1 1832 . 152 LYS HE3 H 2.940 0.03 1 1833 . 152 LYS HE2 H 2.940 0.03 1 1834 . 152 LYS C C 181.590 0.1 1 stop_ save_