data_4791 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Sequence-specific 1H, 15N and 13C Resonance Assignments for an Engineered Arginine-rich Domain of the Hepatitis C Virus NS3 RNA Helicase ; _BMRB_accession_number 4791 _BMRB_flat_file_name bmr4791.str _Entry_type original _Submission_date 2000-07-21 _Accession_date 2000-07-21 _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 Liu Dingjiang . . 2 Wyss Daniel F . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 772 "13C chemical shifts" 577 "15N chemical shifts" 143 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2001-05-03 original author . stop_ _Original_release_date 2001-05-03 save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title ; Letter to the Editor: Sequence-specific 1H, 15N and 13C Resonance Assignments for an Engineered Arginine-rich Domain of the Hepatitis C Virus NS3 RNA Helicase ; _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code 21022127 _PubMed_ID ? loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Liu Dingjiang . . 2 Wyss Daniel F. . stop_ _Journal_abbreviation 'J. Biomol. NMR' _Journal_name_full 'Journal of Biomolecular NMR' _Journal_volume 18 _Journal_issue 3 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 279 _Page_last 280 _Year 2000 _Details . loop_ _Keyword HCV helicase 'NMR assignments' stop_ save_ ################################## # Molecular system description # ################################## save_HCV_helicase _Saveframe_category molecular_system _Mol_system_name 'HCV NS3 RNA helicase' _Abbreviation_common 'HCV helicase' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label 'HCV NS3 RNA helicase domain 2' $d2-HCVh stop_ _System_molecular_weight . _System_physical_state native _System_oligomer_state monomer _System_paramagnetic no _System_thiol_state 'not reported' loop_ _Biological_function NTPase 'RNA helicase' stop_ _Database_query_date . _Details . save_ ######################## # Monomeric polymers # ######################## save_d2-HCVh _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common 'HCV helicase' _Name_variant 'domain 2 of the HCV RNA helicase' _Abbreviation_common d2-HCVh _Molecular_mass . _Mol_thiol_state 'not reported' _Details ; The N-terminal GSHM sequence is an artifact of the cloning and is not considered part of the native sequence. Residues 431-451 were replaced with an engineered beta-hairpin of four residues with amino acid sequence SDGK and the corresponding author specific sequence numbers i1, i2, i3, i4. ; ############################## # Polymer residue sequence # ############################## _Residue_count 142 _Mol_residue_sequence ; GSHMGSVTVPHPNIEEVALS TTGEIPFYGKAIPLEVIKGG RHLIFCHSKKKCDELAAKLV ALGINAVAYYRGLDVSVIPT NGDVVVVATDALMTGFTGDF DSVIDCNTSDGKPQDAVSRT QRRGRTGRGKPGIYRFVAPG ER ; loop_ _Residue_seq_code _Residue_author_seq_code _Residue_label 1 n1 GLY 2 n2 SER 3 n3 HIS 4 n4 MET 5 327 GLY 6 328 SER 7 329 VAL 8 330 THR 9 331 VAL 10 332 PRO 11 333 HIS 12 334 PRO 13 335 ASN 14 336 ILE 15 337 GLU 16 338 GLU 17 339 VAL 18 340 ALA 19 341 LEU 20 342 SER 21 343 THR 22 344 THR 23 345 GLY 24 346 GLU 25 347 ILE 26 348 PRO 27 349 PHE 28 350 TYR 29 351 GLY 30 352 LYS 31 353 ALA 32 354 ILE 33 355 PRO 34 356 LEU 35 357 GLU 36 358 VAL 37 359 ILE 38 360 LYS 39 361 GLY 40 362 GLY 41 363 ARG 42 364 HIS 43 365 LEU 44 366 ILE 45 367 PHE 46 368 CYS 47 369 HIS 48 370 SER 49 371 LYS 50 372 LYS 51 373 LYS 52 374 CYS 53 375 ASP 54 376 GLU 55 377 LEU 56 378 ALA 57 379 ALA 58 380 LYS 59 381 LEU 60 382 VAL 61 383 ALA 62 384 LEU 63 385 GLY 64 386 ILE 65 387 ASN 66 388 ALA 67 389 VAL 68 390 ALA 69 391 TYR 70 392 TYR 71 393 ARG 72 394 GLY 73 395 LEU 74 396 ASP 75 397 VAL 76 398 SER 77 399 VAL 78 400 ILE 79 401 PRO 80 402 THR 81 403 ASN 82 404 GLY 83 405 ASP 84 406 VAL 85 407 VAL 86 408 VAL 87 409 VAL 88 410 ALA 89 411 THR 90 412 ASP 91 413 ALA 92 414 LEU 93 415 MET 94 416 THR 95 417 GLY 96 418 PHE 97 419 THR 98 420 GLY 99 421 ASP 100 422 PHE 101 423 ASP 102 424 SER 103 425 VAL 104 426 ILE 105 427 ASP 106 428 CYS 107 429 ASN 108 430 THR 109 i1 SER 110 i2 ASP 111 i3 GLY 112 i4 LYS 113 452 PRO 114 453 GLN 115 454 ASP 116 455 ALA 117 456 VAL 118 457 SER 119 458 ARG 120 459 THR 121 460 GLN 122 461 ARG 123 462 ARG 124 463 GLY 125 464 ARG 126 465 THR 127 466 GLY 128 467 ARG 129 468 GLY 130 469 LYS 131 470 PRO 132 471 GLY 133 472 ILE 134 473 TYR 135 474 ARG 136 475 PHE 137 476 VAL 138 477 ALA 139 478 PRO 140 479 GLY 141 480 GLU 142 481 ARG stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2015-01-29 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 1JR6 "Solution Structure Of An Engineered Arginine-Rich Subdomain 2 Of The Hepatitis C Virus Ns3 Rna Helicase" 100.00 142 100.00 100.00 4.84e-98 PDB 1ONB "Solution Structure Of An Engineered Arginine-Rich Subdomain 2 Of The Hepatitis C Virus Ns3 Rna Helicase" 100.00 142 100.00 100.00 4.84e-98 GB AAU44826 "NS3 [Hepatitis C virus]" 52.82 75 97.33 100.00 7.12e-44 GB AAU44828 "NS3 [Hepatitis C virus]" 52.82 75 97.33 100.00 7.12e-44 GB AAU44832 "NS3 [Hepatitis C virus]" 52.82 75 97.33 100.00 1.28e-43 GB AAU44836 "NS3 [Hepatitis C virus]" 52.82 75 97.33 100.00 1.28e-43 GB AAU44841 "NS3 [Hepatitis C virus]" 52.82 75 97.33 100.00 7.12e-44 stop_ save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species _Strain $d2-HCVh 'hepatitis C virus' 11103 viruses . 'hepatitis C virus' 'hepatitis C virus' 1a 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 $d2-HCVh '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 _Concentration_min_value _Concentration_max_value _Isotopic_labeling $d2-HCVh . mM 0.2 1.0 '[U-15N; U-13C]' KPO4 75 mM . . . DTT 5 mM . . [U-2H] D2O 99 % . . . AEBSF 0.4 mM . . . NaN3 0.015 % . . . stop_ save_ save_sample-2 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Concentration_min_value _Concentration_max_value _Isotopic_labeling $d2-HCVh . mM 0.2 1.0 '[U-15N; U-13C]' KPO4 75 mM . . . DTT 5 mM . . [U-2H] D2O 5 % . . . AEBSF 0.4 mM . . . NaN3 0.015 % . . . stop_ save_ ############################ # Computer software used # ############################ save_FELIX _Saveframe_category software _Name FELIX _Version 98.0 loop_ _Task 'data processing' stop_ _Details . save_ save_NMRView _Saveframe_category software _Name NMRView _Version 4.0.3 loop_ _Task 'data analysis' stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Varian _Model INOVA _Field_strength 500 _Details . save_ save_NMR_spectrometer_2 _Saveframe_category NMR_spectrometer _Manufacturer Varian _Model INOVA _Field_strength 600 _Details . save_ ############################# # NMR applied experiments # ############################# save_1H-15N_HSQC_1 _Saveframe_category NMR_applied_experiment _Experiment_name '1H-15N HSQC' _Sample_label . save_ save_CBCA(CO)NH_2 _Saveframe_category NMR_applied_experiment _Experiment_name CBCA(CO)NH _Sample_label . save_ save_HNCACB_3 _Saveframe_category NMR_applied_experiment _Experiment_name HNCACB _Sample_label . save_ save_HNCO_4 _Saveframe_category NMR_applied_experiment _Experiment_name HNCO _Sample_label . save_ save_(H)CC(CO)NH-TOCSY_5 _Saveframe_category NMR_applied_experiment _Experiment_name (H)CC(CO)NH-TOCSY _Sample_label . save_ save_HCCH-TOCSY_6 _Saveframe_category NMR_applied_experiment _Experiment_name HCCH-TOCSY _Sample_label . save_ save_15N-edited_TOCSY-HSQC_7 _Saveframe_category NMR_applied_experiment _Experiment_name '15N-edited TOCSY-HSQC' _Sample_label . save_ save_NMR_spec_expt__0_1 _Saveframe_category NMR_applied_experiment _Experiment_name '1H-15N HSQC' _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_2 _Saveframe_category NMR_applied_experiment _Experiment_name CBCA(CO)NH _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_3 _Saveframe_category NMR_applied_experiment _Experiment_name HNCACB _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_4 _Saveframe_category NMR_applied_experiment _Experiment_name HNCO _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_5 _Saveframe_category NMR_applied_experiment _Experiment_name (H)CC(CO)NH-TOCSY _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_6 _Saveframe_category NMR_applied_experiment _Experiment_name HCCH-TOCSY _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_7 _Saveframe_category NMR_applied_experiment _Experiment_name '15N-edited TOCSY-HSQC' _BMRB_pulse_sequence_accession_number . _Details . save_ ####################### # Sample conditions # ####################### save_cond_set_1 _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units pH 6.5 0.2 n/a temperature 298 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 _Indirect_shift_ratio DSS C 13 . ppm 0.0 external indirect . . . 0.251449530 TSP H 1 'methyl protons' ppm 0.0 external direct . . . . DSS N 15 . ppm 0.0 external indirect . . . 0.101329118 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_shiftset_1 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Sample_label $sample-1 $sample-2 stop_ _Sample_conditions_label $cond_set_1 _Chem_shift_reference_set_label $chemical_shift_reference _Mol_system_component_name 'HCV NS3 RNA helicase domain 2' _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 . 5 GLY N N 110.358 . 1 2 . 5 GLY H H 8.419 . 1 3 . 5 GLY CA C 45.12 . 1 4 . 5 GLY HA2 H 3.97 . 1 5 . 5 GLY HA3 H 3.97 . 1 6 . 5 GLY C C 173.967 . 1 7 . 6 SER N N 115.825 . 1 8 . 6 SER H H 8.205 . 1 9 . 6 SER CA C 57.75 . 1 10 . 6 SER HA H 4.44 . 1 11 . 6 SER CB C 63.3 . 1 12 . 6 SER HB2 H 3.8 . 1 13 . 6 SER HB3 H 3.8 . 1 14 . 6 SER C C 174.506 . 1 15 . 7 VAL N N 121.565 . 1 16 . 7 VAL H H 8.166 . 1 17 . 7 VAL CA C 61.66 . 1 18 . 7 VAL HA H 4.17 . 1 19 . 7 VAL CB C 32.35 . 1 20 . 7 VAL HB H 2.05 . 1 21 . 7 VAL CG2 C 19.83 . 2 22 . 7 VAL HG2 H 0.88 . 4 23 . 7 VAL CG1 C 20.9 . 2 24 . 7 VAL HG1 H 0.86 . 4 25 . 7 VAL C C 176.202 . 1 26 . 8 THR N N 118.734 . 1 27 . 8 THR H H 8.231 . 1 28 . 8 THR CA C 61.3 . 1 29 . 8 THR HA H 4.32 . 1 30 . 8 THR CB C 68.6 . 1 31 . 8 THR HB H 4.07 . 1 32 . 8 THR CG2 C 21.13 . 1 33 . 8 THR HG2 H 1.13 . 1 34 . 8 THR C C 174.044 . 1 35 . 9 VAL N N 124.467 . 1 36 . 9 VAL H H 8.185 . 1 37 . 9 VAL CA C 59.07 . 1 38 . 9 VAL HA H 4.38 . 1 39 . 9 VAL CB C 32.11 . 1 40 . 9 VAL HB H 2 . 1 41 . 9 VAL CG2 C 20.1 . 1 42 . 9 VAL HG2 H 0.9 . 4 43 . 9 VAL CG1 C 20.1 . 1 44 . 9 VAL HG1 H 0.9 . 4 45 . 10 PRO CA C 62.91 . 1 46 . 10 PRO HA H 4.34 . 1 47 . 10 PRO CB C 31.69 . 1 48 . 10 PRO HB2 H 1.75 . 2 49 . 10 PRO HB3 H 2.2 . 2 50 . 10 PRO CG C 27 . 1 51 . 10 PRO HG2 H 1.93 . 1 52 . 10 PRO HG3 H 1.93 . 1 53 . 10 PRO CD C 50.2 . 1 54 . 10 PRO HD2 H 3.8 . 2 55 . 10 PRO HD3 H 3.64 . 2 56 . 10 PRO C C 176.15 . 1 57 . 11 HIS N N 120.9 . 1 58 . 11 HIS H H 8.62 . 1 59 . 11 HIS CA C 52.78 . 1 60 . 11 HIS HA H 4.89 . 1 61 . 11 HIS CB C 29.53 . 1 62 . 11 HIS HB2 H 3.14 . 2 63 . 11 HIS HB3 H 3.06 . 2 64 . 11 HIS CD2 C 119.3 . 5 65 . 11 HIS HD2 H 7.14 . 5 66 . 11 HIS CE1 C 136.64 . 5 67 . 11 HIS HE1 H 8.216 . 5 68 . 12 PRO CA C 62.91 . 1 69 . 12 PRO HA H 4.35 . 1 70 . 12 PRO CB C 31.58 . 1 71 . 12 PRO HB2 H 2.28 . 2 72 . 12 PRO HB3 H 1.81 . 2 73 . 12 PRO CG C 27.5 . 1 74 . 12 PRO HG2 H 2.05 . 2 75 . 12 PRO HG3 H 1.94 . 2 76 . 12 PRO CD C 50.21 . 1 77 . 12 PRO HD2 H 3.66 . 2 78 . 12 PRO HD3 H 3.41 . 2 79 . 12 PRO C C 176.49 . 1 80 . 13 ASN N N 120.138 . 1 81 . 13 ASN H H 9.006 . 1 82 . 13 ASN CA C 52.84 . 1 83 . 13 ASN HA H 4.74 . 1 84 . 13 ASN CB C 39.01 . 1 85 . 13 ASN HB2 H 2.74 . 2 86 . 13 ASN HB3 H 2.91 . 2 87 . 13 ASN ND2 N 112.68 . 1 88 . 13 ASN HD21 H 6.88 . 2 89 . 13 ASN HD22 H 7.54 . 2 90 . 13 ASN C C 174.044 . 1 91 . 14 ILE N N 119.436 . 1 92 . 14 ILE H H 7.801 . 1 93 . 14 ILE CA C 59.89 . 1 94 . 14 ILE HA H 4.46 . 1 95 . 14 ILE CB C 41.06 . 1 96 . 14 ILE HB H 1.6 . 1 97 . 14 ILE CG1 C 27.81 . 2 98 . 14 ILE HG12 H 1.48 . 1 99 . 14 ILE HG13 H 0.71 . 1 100 . 14 ILE CD1 C 13.9 . 1 101 . 14 ILE HD1 H 0.76 . 1 102 . 14 ILE CG2 C 17.69 . 2 103 . 14 ILE HG2 H 0.69 . 4 104 . 14 ILE C C 175.097 . 1 105 . 15 GLU N N 128.923 . 1 106 . 15 GLU H H 8.171 . 1 107 . 15 GLU CA C 54.71 . 1 108 . 15 GLU HA H 4.55 . 1 109 . 15 GLU CB C 30.94 . 1 110 . 15 GLU HB2 H 1.96 . 2 111 . 15 GLU HB3 H 2.06 . 2 112 . 15 GLU CG C 35.35 . 1 113 . 15 GLU HG2 H 2.29 . 2 114 . 15 GLU HG3 H 2.17 . 2 115 . 15 GLU C C 174.79 . 1 116 . 16 GLU N N 126.22 . 1 117 . 16 GLU H H 8.91 . 1 118 . 16 GLU CA C 54.71 . 1 119 . 16 GLU HA H 5.9 . 1 120 . 16 GLU CB C 30.11 . 1 121 . 16 GLU HB2 H 2.31 . 2 122 . 16 GLU HB3 H 2.25 . 2 123 . 16 GLU CG C 36.64 . 1 124 . 16 GLU HG2 H 2.52 . 2 125 . 16 GLU HG3 H 2.22 . 2 126 . 16 GLU C C 176.59 . 1 127 . 17 VAL N N 125.842 . 1 128 . 17 VAL H H 9.414 . 1 129 . 17 VAL CA C 60.01 . 1 130 . 17 VAL HA H 4.35 . 1 131 . 17 VAL CB C 34.82 . 1 132 . 17 VAL HB H 1.81 . 1 133 . 17 VAL CG2 C 20.27 . 2 134 . 17 VAL HG2 H 0.87 . 4 135 . 17 VAL CG1 C 26.01 . 2 136 . 17 VAL HG1 H 0.81 . 4 137 . 17 VAL C C 173.76 . 1 138 . 18 ALA N N 131.727 . 1 139 . 18 ALA H H 8.462 . 1 140 . 18 ALA CA C 51.18 . 1 141 . 18 ALA HA H 2.67 . 1 142 . 18 ALA CB C 18.22 . 1 143 . 18 ALA HB H 1.07 . 1 144 . 18 ALA C C 175.925 . 9 145 . 19 LEU N N 122.361 . 1 146 . 19 LEU H H 8.217 . 1 147 . 19 LEU CA C 54.84 . 1 148 . 19 LEU HA H 4.25 . 1 149 . 19 LEU CB C 42.71 . 1 150 . 19 LEU HB2 H 1.81 . 2 151 . 19 LEU HB3 H 1.51 . 2 152 . 19 LEU CG C 26.19 . 1 153 . 19 LEU HG H 1.42 . 1 154 . 19 LEU CD1 C 26.63 . 2 155 . 19 LEU HD1 H 0.69 . 4 156 . 19 LEU CD2 C 22.35 . 2 157 . 19 LEU HD2 H 0.9 . 4 158 . 19 LEU C C 176.82 . 1 159 . 20 SER N N 119.717 . 1 160 . 20 SER H H 9.078 . 1 161 . 20 SER CA C 55.19 . 1 162 . 20 SER HA H 4.97 . 1 163 . 20 SER CB C 64.96 . 1 164 . 20 SER HB2 H 3.93 . 2 165 . 20 SER HB3 H 4.29 . 2 166 . 20 SER C C 173.581 . 1 167 . 21 THR N N 105.889 . 1 168 . 21 THR H H 8.005 . 1 169 . 21 THR CA C 61.66 . 1 170 . 21 THR HA H 4.1 . 1 171 . 21 THR CB C 67.56 . 1 172 . 21 THR HB H 4.55 . 1 173 . 21 THR CG2 C 21.68 . 1 174 . 21 THR HG2 H 1.27 . 1 175 . 21 THR C C 174.404 . 1 176 . 22 THR N N 118.924 . 1 177 . 22 THR H H 8.124 . 1 178 . 22 THR CA C 61.54 . 1 179 . 22 THR HA H 4.25 . 1 180 . 22 THR CB C 67.6 . 1 181 . 22 THR HB H 3.91 . 1 182 . 22 THR CG2 C 20.92 . 1 183 . 22 THR HG2 H 1.1 . 1 184 . 22 THR C C 172.631 . 1 185 . 23 GLY N N 112.922 . 1 186 . 23 GLY H H 7.99 . 1 187 . 23 GLY CA C 43.41 . 1 188 . 23 GLY HA2 H 3.65 . 1 189 . 23 GLY HA3 H 3.65 . 1 190 . 23 GLY C C 172.25 . 1 191 . 24 GLU N N 120.237 . 1 192 . 24 GLU H H 8.965 . 1 193 . 24 GLU CA C 59.66 . 1 194 . 24 GLU HA H 4.06 . 1 195 . 24 GLU CB C 29.88 . 1 196 . 24 GLU HB2 H 2 . 2 197 . 24 GLU HB3 H 1.94 . 2 198 . 24 GLU CG C 37.28 . 1 199 . 24 GLU HG2 H 2.31 . 2 200 . 24 GLU HG3 H 2.56 . 2 201 . 24 GLU C C 176.716 . 1 202 . 25 ILE N N 118.166 . 1 203 . 25 ILE H H 7.701 . 1 204 . 25 ILE CA C 56.13 . 1 205 . 25 ILE HA H 4.48 . 1 206 . 25 ILE CB C 38.24 . 1 207 . 25 ILE HB H 2.09 . 1 208 . 25 ILE HG13 H 1.06 . 9 209 . 25 ILE CD1 C 12.38 . 1 210 . 25 ILE HD1 H 0.58 . 1 211 . 25 ILE CG2 C 17.36 . 2 212 . 25 ILE HG2 H 0.71 . 4 213 . 26 PRO CA C 62.91 . 1 214 . 26 PRO HA H 4.38 . 1 215 . 26 PRO CB C 31.69 . 1 216 . 26 PRO HB2 H 1.884 . 2 217 . 26 PRO HB3 H 2.27 . 2 218 . 26 PRO CG C 26.95 . 1 219 . 26 PRO HG2 H 2.7 . 1 220 . 26 PRO HG3 H 2.7 . 1 221 . 26 PRO CD C 51.021 . 1 222 . 26 PRO HD2 H 4.09 . 2 223 . 26 PRO HD3 H 3.6 . 2 224 . 26 PRO C C 176.844 . 1 225 . 27 PHE N N 124.868 . 1 226 . 27 PHE H H 8.486 . 1 227 . 27 PHE CA C 58.24 . 1 228 . 27 PHE HA H 4.46 . 1 229 . 27 PHE CB C 41.05 . 1 230 . 27 PHE HB2 H 2.54 . 2 231 . 27 PHE HB3 H 2.59 . 2 232 . 27 PHE CD1 C 130.2 . 1 233 . 27 PHE HD1 H 7 . 1 234 . 27 PHE HE1 H 7.15 . 1 235 . 27 PHE CZ C 131.69 . 1 236 . 27 PHE HZ H 7.52 . 1 237 . 27 PHE HE2 H 7.15 . 1 238 . 27 PHE CD2 C 130.2 . 1 239 . 27 PHE HD2 H 7 . 1 240 . 27 PHE C C 172.86 . 1 241 . 28 TYR N N 123.518 . 1 242 . 28 TYR H H 8.357 . 1 243 . 28 TYR CA C 59.6 . 1 244 . 28 TYR HA H 3.56 . 1 245 . 28 TYR CB C 35.56 . 1 246 . 28 TYR HB2 H 2.29 . 2 247 . 28 TYR HB3 H 3 . 2 248 . 28 TYR CD1 C 132.7 . 1 249 . 28 TYR HD1 H 6.88 . 1 250 . 28 TYR CE1 C 117.88 . 1 251 . 28 TYR HE1 H 6.6 . 1 252 . 28 TYR CE2 C 117.88 . 1 253 . 28 TYR HE2 H 6.6 . 1 254 . 28 TYR CD2 C 132.7 . 1 255 . 28 TYR HD2 H 6.88 . 1 256 . 28 TYR C C 174.917 . 1 257 . 29 GLY N N 104.747 . 1 258 . 29 GLY H H 8.21 . 1 259 . 29 GLY CA C 44.71 . 1 260 . 29 GLY HA2 H 4.25 . 2 261 . 29 GLY HA3 H 3.55 . 2 262 . 29 GLY C C 174.352 . 1 263 . 30 LYS N N 121.452 . 1 264 . 30 LYS H H 8.007 . 1 265 . 30 LYS CA C 52.13 . 1 266 . 30 LYS HA H 4.42 . 1 267 . 30 LYS CB C 32.11 . 1 268 . 30 LYS HB2 H 2.11 . 2 269 . 30 LYS HB3 H 1.83 . 2 270 . 30 LYS CG C 25.12 . 1 271 . 30 LYS HG2 H 1.5 . 2 272 . 30 LYS HG3 H 1.4 . 2 273 . 30 LYS CD C 27.16 . 1 274 . 30 LYS HD2 H 1.62 . 2 275 . 30 LYS HD3 H 1.33 . 2 276 . 30 LYS CE C 42.04 . 1 277 . 30 LYS HE2 H 3.17 . 2 278 . 30 LYS HE3 H 3.02 . 2 279 . 30 LYS C C 175.02 . 1 280 . 31 ALA N N 124.726 . 1 281 . 31 ALA H H 8.467 . 1 282 . 31 ALA CA C 51.07 . 1 283 . 31 ALA HA H 5.08 . 1 284 . 31 ALA CB C 21.05 . 1 285 . 31 ALA HB H 0.69 . 1 286 . 31 ALA C C 174.84 . 1 287 . 32 ILE N N 120.442 . 1 288 . 32 ILE H H 9.085 . 1 289 . 32 ILE CA C 57.18 . 1 290 . 32 ILE HA H 4.35 . 1 291 . 32 ILE CB C 41.3 . 1 292 . 32 ILE HB H 1.39 . 1 293 . 32 ILE CG1 C 27.5 . 2 294 . 32 ILE HG12 H 0.26 . 1 295 . 32 ILE HG13 H 1.23 . 9 296 . 32 ILE CD1 C 13.1 . 1 297 . 32 ILE HD1 H -0.06 . 1 298 . 32 ILE CG2 C 16.22 . 2 299 . 32 ILE HG2 H 0.41 . 4 300 . 33 PRO CA C 60.25 . 1 301 . 33 PRO HA H 4.74 . 1 302 . 33 PRO CB C 31.41 . 1 303 . 33 PRO HB2 H 2.49 . 2 304 . 33 PRO HB3 H 1.9 . 2 305 . 33 PRO CG C 26.74 . 1 306 . 33 PRO HG2 H 2.05 . 1 307 . 33 PRO HG3 H 2.05 . 1 308 . 33 PRO CD C 50.74 . 1 309 . 33 PRO HD2 H 3.42 . 2 310 . 33 PRO HD3 H 4.1 . 2 311 . 33 PRO C C 177.39 . 1 312 . 34 LEU N N 127.427 . 1 313 . 34 LEU H H 9.194 . 1 314 . 34 LEU CA C 56.83 . 1 315 . 34 LEU HA H 3.63 . 1 316 . 34 LEU CB C 41.41 . 1 317 . 34 LEU HB2 H 1.45 . 1 318 . 34 LEU HB3 H 1.45 . 1 319 . 34 LEU CG C 26.52 . 1 320 . 34 LEU HG H 1.55 . 1 321 . 34 LEU CD1 C 25.14 . 2 322 . 34 LEU HD1 H 0.86 . 4 323 . 34 LEU CD2 C 23.94 . 2 324 . 34 LEU HD2 H 0.79 . 4 325 . 34 LEU C C 178.7 . 1 326 . 35 GLU N N 113.113 . 1 327 . 35 GLU H H 8.768 . 1 328 . 35 GLU CA C 58.6 . 1 329 . 35 GLU HA H 3.87 . 1 330 . 35 GLU CB C 28.94 . 1 331 . 35 GLU HB2 H 2.03 . 2 332 . 35 GLU HB3 H 1.88 . 2 333 . 35 GLU CG C 35.32 . 1 334 . 35 GLU HG2 H 2.16 . 1 335 . 35 GLU HG3 H 2.16 . 1 336 . 35 GLU C C 178.308 . 1 337 . 36 VAL N N 107.777 . 1 338 . 36 VAL H H 7.028 . 1 339 . 36 VAL CA C 61.31 . 1 340 . 36 VAL HA H 4.29 . 1 341 . 36 VAL CB C 30.23 . 1 342 . 36 VAL HB H 2.18 . 1 343 . 36 VAL CG2 C 18.43 . 2 344 . 36 VAL HG2 H 0.79 . 4 345 . 36 VAL CG1 C 20.71 . 2 346 . 36 VAL HG1 H 0.79 . 4 347 . 36 VAL C C 176.484 . 1 348 . 37 ILE N N 111.16 . 1 349 . 37 ILE H H 7.108 . 1 350 . 37 ILE CA C 59.54 . 1 351 . 37 ILE HA H 3.7 . 1 352 . 37 ILE CB C 38.47 . 1 353 . 37 ILE HB H 1.87 . 1 354 . 37 ILE CG1 C 25.12 . 2 355 . 37 ILE HG13 H 1.16 . 9 356 . 37 ILE CD1 C 14.9 . 1 357 . 37 ILE HD1 H 0.56 . 1 358 . 37 ILE CG2 C 17.59 . 2 359 . 37 ILE HG2 H 0.12 . 4 360 . 37 ILE C C 173.684 . 1 361 . 38 LYS N N 121.823 . 1 362 . 38 LYS H H 6.931 . 1 363 . 38 LYS CA C 57.07 . 1 364 . 38 LYS HA H 3.96 . 1 365 . 38 LYS CB C 31.76 . 1 366 . 38 LYS HB2 H 1.54 . 2 367 . 38 LYS HB3 H 1.71 . 2 368 . 38 LYS CG C 24.26 . 1 369 . 38 LYS HG2 H 1.29 . 1 370 . 38 LYS HG3 H 1.29 . 1 371 . 38 LYS CD C 29 . 1 372 . 38 LYS HD2 H 1.55 . 1 373 . 38 LYS HD3 H 1.55 . 1 374 . 38 LYS CE C 41.38 . 1 375 . 38 LYS HE3 H 2.87 . 2 376 . 38 LYS C C 175.611 . 1 377 . 39 GLY N N 113.444 . 1 378 . 39 GLY H H 7.781 . 1 379 . 39 GLY CA C 43.89 . 1 380 . 39 GLY HA2 H 3.99 . 2 381 . 39 GLY HA3 H 4.02 . 2 382 . 39 GLY C C 173.864 . 1 383 . 40 GLY N N 111.666 . 1 384 . 40 GLY H H 8.243 . 1 385 . 40 GLY CA C 43.86 . 1 386 . 40 GLY HA2 H 3.66 . 2 387 . 40 GLY HA3 H 4.3 . 2 388 . 40 GLY C C 172.965 . 1 389 . 41 ARG N N 120.613 . 1 390 . 41 ARG H H 8.587 . 1 391 . 41 ARG CA C 54.24 . 1 392 . 41 ARG HA H 5.6 . 1 393 . 41 ARG CB C 31.29 . 1 394 . 41 ARG HB2 H 1.58 . 1 395 . 41 ARG HB3 H 1.58 . 1 396 . 41 ARG CG C 28.35 . 1 397 . 41 ARG HG2 H 1.57 . 2 398 . 41 ARG HG3 H 1.65 . 2 399 . 41 ARG CD C 42.67 . 1 400 . 41 ARG HD2 H 3.04 . 1 401 . 41 ARG HD3 H 3.04 . 1 402 . 41 ARG NE N 82.46 . 1 403 . 41 ARG HE H 6.97 . 1 404 . 41 ARG C C 174.97 . 1 405 . 42 HIS N N 123.222 . 1 406 . 42 HIS H H 8.896 . 1 407 . 42 HIS CA C 54.36 . 1 408 . 42 HIS HA H 5.34 . 1 409 . 42 HIS CB C 35.05 . 1 410 . 42 HIS HB2 H 2.6 . 2 411 . 42 HIS HB3 H 2.85 . 2 412 . 42 HIS CD2 C 117.9 . 1 413 . 42 HIS HD2 H 6.59 . 2 414 . 42 HIS CE1 C 138.3 . 1 415 . 42 HIS HE1 H 7.79 . 2 416 . 42 HIS C C 171.783 . 1 417 . 43 LEU N N 126.056 . 1 418 . 43 LEU H H 8.047 . 1 419 . 43 LEU CA C 52.24 . 1 420 . 43 LEU HA H 4.7 . 1 421 . 43 LEU CB C 43.3 . 1 422 . 43 LEU HB2 H -0.68 . 2 423 . 43 LEU HB3 H 1.18 . 2 424 . 43 LEU CG C 27.11 . 1 425 . 43 LEU HG H 0.5 . 1 426 . 43 LEU CD1 C 22.8 . 2 427 . 43 LEU HD1 H -0.02 . 4 428 . 43 LEU CD2 C 26.845 . 2 429 . 43 LEU HD2 H 0.4 . 4 430 . 43 LEU C C 173.07 . 1 431 . 44 ILE N N 126.115 . 1 432 . 44 ILE H H 9.348 . 1 433 . 44 ILE CA C 59.07 . 1 434 . 44 ILE HA H 4.89 . 1 435 . 44 ILE CB C 40.12 . 1 436 . 44 ILE HB H 1.6 . 1 437 . 44 ILE CG1 C 25.98 . 2 438 . 44 ILE HG12 H 1.33 . 1 439 . 44 ILE HG13 H 1.33 . 9 440 . 44 ILE CD1 C 14.8 . 1 441 . 44 ILE HD1 H 0.44 . 1 442 . 44 ILE CG2 C 18.3 . 2 443 . 44 ILE HG2 H 0.65 . 4 444 . 44 ILE C C 174.87 . 1 445 . 45 PHE N N 123.851 . 1 446 . 45 PHE H H 9.116 . 1 447 . 45 PHE CA C 56.95 . 1 448 . 45 PHE HA H 5.78 . 1 449 . 45 PHE CB C 41.78 . 1 450 . 45 PHE HB2 H 3.02 . 1 451 . 45 PHE HB3 H 3.02 . 1 452 . 45 PHE HD1 H 7.08 . 1 453 . 45 PHE CE1 C 130 . 1 454 . 45 PHE HE1 H 7.21 . 1 455 . 45 PHE CE2 C 130 . 1 456 . 45 PHE HE2 H 7.21 . 1 457 . 45 PHE CD2 C 132.06 . 2 458 . 45 PHE HD2 H 7.08 . 1 459 . 45 PHE C C 176.8 . 1 460 . 46 CYS N N 116.056 . 1 461 . 46 CYS H H 8.752 . 1 462 . 46 CYS CA C 56.95 . 1 463 . 46 CYS HA H 5.12 . 1 464 . 46 CYS CB C 31.53 . 1 465 . 46 CYS HB2 H 3.3 . 2 466 . 46 CYS HB3 H 3.16 . 2 467 . 46 CYS C C 175.74 . 1 468 . 47 HIS N N 116.963 . 1 469 . 47 HIS H H 8.454 . 1 470 . 47 HIS CA C 56.95 . 1 471 . 47 HIS HA H 4.47 . 1 472 . 47 HIS CB C 31.29 . 1 473 . 47 HIS HB2 H 3.25 . 2 474 . 47 HIS HB3 H 2.81 . 2 475 . 47 HIS CD2 C 118.57 . 1 476 . 47 HIS HD2 H 6.94 . 2 477 . 47 HIS CE1 C 138 . 1 478 . 47 HIS HE1 H 7.74 . 2 479 . 47 HIS C C 173.71 . 1 480 . 48 SER N N 112.051 . 1 481 . 48 SER H H 6.811 . 1 482 . 48 SER CA C 54.28 . 1 483 . 48 SER HA H 4.61 . 1 484 . 48 SER CB C 66.92 . 1 485 . 48 SER HB2 H 3.88 . 2 486 . 48 SER HB3 H 2.87 . 2 487 . 48 SER C C 173.59 . 1 488 . 49 LYS N N 124.102 . 1 489 . 49 LYS H H 8.781 . 1 490 . 49 LYS CA C 59.14 . 1 491 . 49 LYS HA H 3.45 . 1 492 . 49 LYS CB C 31.04 . 1 493 . 49 LYS HB2 H 1.04 . 1 494 . 49 LYS HB3 H 1.04 . 1 495 . 49 LYS CG C 22.64 . 1 496 . 49 LYS HG2 H 0.56 . 1 497 . 49 LYS HG3 H 0.56 . 1 498 . 49 LYS CD C 29.1 . 1 499 . 49 LYS HD2 H 1.24 . 1 500 . 49 LYS HD3 H 1.24 . 1 501 . 49 LYS CE C 41.27 . 1 502 . 49 LYS HE2 H 2.71 . 1 503 . 49 LYS HE3 H 2.71 . 1 504 . 49 LYS C C 176.844 . 1 505 . 50 LYS N N 118.399 . 1 506 . 50 LYS H H 7.873 . 1 507 . 50 LYS CA C 58.72 . 1 508 . 50 LYS HA H 3.93 . 1 509 . 50 LYS CB C 31.88 . 1 510 . 50 LYS HB2 H 1.7 . 2 511 . 50 LYS HB3 H 1.62 . 2 512 . 50 LYS CG C 24.26 . 1 513 . 50 LYS HG2 H 1.41 . 1 514 . 50 LYS HG3 H 1.41 . 1 515 . 50 LYS CD C 28.78 . 1 516 . 50 LYS HD2 H 1.6 . 1 517 . 50 LYS HD3 H 1.6 . 1 518 . 50 LYS CE C 41.27 . 1 519 . 50 LYS HE2 H 2.95 . 1 520 . 50 LYS HE3 H 2.95 . 1 521 . 50 LYS C C 179.207 . 1 522 . 51 LYS N N 118.386 . 1 523 . 51 LYS H H 7.532 . 1 524 . 51 LYS CA C 56.72 . 1 525 . 51 LYS HA H 4.12 . 1 526 . 51 LYS CB C 30.82 . 1 527 . 51 LYS HB2 H 1.79 . 1 528 . 51 LYS HB3 H 1.79 . 1 529 . 51 LYS CG C 23.51 . 1 530 . 51 LYS HG2 H 1.67 . 1 531 . 51 LYS HG3 H 1.67 . 1 532 . 51 LYS CD C 27.38 . 1 533 . 51 LYS HD2 H 1.55 . 1 534 . 51 LYS HD3 H 1.55 . 1 535 . 51 LYS CE C 41.27 . 1 536 . 51 LYS HE2 H 3.14 . 1 537 . 51 LYS HE3 H 3.14 . 1 538 . 51 LYS C C 178.694 . 1 539 . 52 CYS N N 117.615 . 1 540 . 52 CYS H H 7.681 . 1 541 . 52 CYS CA C 62.48 . 1 542 . 52 CYS HA H 4.33 . 1 543 . 52 CYS CB C 26.46 . 1 544 . 52 CYS HB2 H 3.57 . 2 545 . 52 CYS HB3 H 2.68 . 2 546 . 52 CYS C C 176.97 . 1 547 . 53 ASP N N 118.916 . 1 548 . 53 ASP H H 8.132 . 1 549 . 53 ASP CA C 56.95 . 1 550 . 53 ASP HA H 4.35 . 1 551 . 53 ASP CB C 39.64 . 1 552 . 53 ASP HB2 H 2.75 . 2 553 . 53 ASP HB3 H 2.61 . 2 554 . 53 ASP C C 179.541 . 1 555 . 54 GLU N N 120.901 . 1 556 . 54 GLU H H 8.129 . 1 557 . 54 GLU CA C 58.6 . 1 558 . 54 GLU HA H 3.98 . 1 559 . 54 GLU CB C 29.88 . 1 560 . 54 GLU HB2 H 2.17 . 2 561 . 54 GLU HB3 H 2.07 . 2 562 . 54 GLU CG C 36.28 . 1 563 . 54 GLU HG2 H 2.08 . 2 564 . 54 GLU HG3 H 2.46 . 2 565 . 54 GLU C C 179.34 . 1 566 . 55 LEU N N 121.417 . 1 567 . 55 LEU H H 8.756 . 1 568 . 55 LEU CA C 57.3 . 1 569 . 55 LEU HA H 4.19 . 1 570 . 55 LEU CB C 40.83 . 1 571 . 55 LEU HB2 H 1.79 . 2 572 . 55 LEU HB3 H 1.82 . 2 573 . 55 LEU CG C 26.38 . 1 574 . 55 LEU HG H 1.58 . 1 575 . 55 LEU CD1 C 24.22 . 2 576 . 55 LEU HD1 H 1.01 . 4 577 . 55 LEU CD2 C 26.25 . 2 578 . 55 LEU HD2 H 0.95 . 4 579 . 55 LEU C C 178.83 . 1 580 . 56 ALA N N 120.191 . 1 581 . 56 ALA H H 8.721 . 1 582 . 56 ALA CA C 55.66 . 1 583 . 56 ALA HA H 3.76 . 1 584 . 56 ALA CB C 16.46 . 1 585 . 56 ALA HB H 1.35 . 1 586 . 56 ALA C C 178.437 . 1 587 . 57 ALA N N 117.04 . 1 588 . 57 ALA H H 7.527 . 1 589 . 57 ALA CA C 54.6 . 1 590 . 57 ALA HA H 4.13 . 1 591 . 57 ALA CB C 17.17 . 1 592 . 57 ALA HB H 1.49 . 1 593 . 57 ALA C C 181.185 . 1 594 . 58 LYS N N 120.438 . 1 595 . 58 LYS H H 7.774 . 1 596 . 58 LYS CA C 58.36 . 1 597 . 58 LYS HA H 4.06 . 1 598 . 58 LYS CB C 31.88 . 1 599 . 58 LYS HB2 H 2.02 . 2 600 . 58 LYS HB3 H 1.96 . 2 601 . 58 LYS CG C 24.87 . 1 602 . 58 LYS HG2 H 1.58 . 2 603 . 58 LYS HG3 H 1.46 . 2 604 . 58 LYS CD C 29.17 . 1 605 . 58 LYS HD2 H 1.71 . 2 606 . 58 LYS HD3 H 1.72 . 2 607 . 58 LYS CE C 41.77 . 1 608 . 58 LYS HE2 H 2.95 . 1 609 . 58 LYS HE3 H 2.95 . 1 610 . 58 LYS C C 178.565 . 1 611 . 59 LEU N N 117.845 . 1 612 . 59 LEU H H 8.209 . 1 613 . 59 LEU CA C 57.42 . 1 614 . 59 LEU HA H 3.89 . 1 615 . 59 LEU CB C 40.47 . 1 616 . 59 LEU HB2 H 1.87 . 2 617 . 59 LEU HB3 H 1.04 . 2 618 . 59 LEU CG C 26.27 . 1 619 . 59 LEU HG H 1.01 . 1 620 . 59 LEU CD1 C 26.2 . 2 621 . 59 LEU HD1 H 0.55 . 4 622 . 59 LEU CD2 C 23.69 . 2 623 . 59 LEU HD2 H 0.6 . 4 624 . 59 LEU C C 179.57 . 1 625 . 60 VAL N N 122.107 . 1 626 . 60 VAL H H 8.587 . 1 627 . 60 VAL CA C 65.66 . 1 628 . 60 VAL HA H 4.33 . 1 629 . 60 VAL CB C 31.29 . 1 630 . 60 VAL HB H 2.17 . 1 631 . 60 VAL CG2 C 23.65 . 2 632 . 60 VAL HG2 H 1.31 . 4 633 . 60 VAL CG1 C 20.67 . 2 634 . 60 VAL HG1 H 1.02 . 4 635 . 60 VAL C C 181.262 . 1 636 . 61 ALA N N 123.271 . 1 637 . 61 ALA H H 7.713 . 1 638 . 61 ALA CA C 54.13 . 1 639 . 61 ALA HA H 4.19 . 1 640 . 61 ALA CB C 17.29 . 1 641 . 61 ALA HB H 1.54 . 1 642 . 61 ALA C C 178.951 . 1 643 . 62 LEU N N 117.827 . 1 644 . 62 LEU H H 7.417 . 1 645 . 62 LEU CA C 54.12 . 1 646 . 62 LEU HA H 4.38 . 1 647 . 62 LEU CB C 42.12 . 1 648 . 62 LEU HB2 H 1.8 . 1 649 . 62 LEU HB3 H 1.8 . 1 650 . 62 LEU CG C 26.37 . 1 651 . 62 LEU HG H 1.76 . 1 652 . 62 LEU CD1 C 26.36 . 2 653 . 62 LEU HD1 H 0.82 . 4 654 . 62 LEU CD2 C 22.39 . 2 655 . 62 LEU HD2 H 0.86 . 4 656 . 62 LEU C C 176.921 . 1 657 . 63 GLY N N 107.459 . 1 658 . 63 GLY H H 8.034 . 1 659 . 63 GLY CA C 45.06 . 1 660 . 63 GLY HA2 H 4.16 . 2 661 . 63 GLY HA3 H 3.74 . 2 662 . 63 GLY C C 174.018 . 1 663 . 64 ILE N N 122.755 . 1 664 . 64 ILE H H 7.909 . 1 665 . 64 ILE CA C 57.54 . 1 666 . 64 ILE HA H 4.1 . 1 667 . 64 ILE CB C 37.17 . 1 668 . 64 ILE HB H 1.68 . 1 669 . 64 ILE CG1 C 26.91 . 2 670 . 64 ILE HG13 H 1.2 . 9 671 . 64 ILE CD1 C 11.09 . 1 672 . 64 ILE HD1 H 0.64 . 1 673 . 64 ILE CG2 C 17.43 . 2 674 . 64 ILE HG2 H 0.71 . 4 675 . 64 ILE C C 175.51 . 1 676 . 65 ASN N N 125.454 . 1 677 . 65 ASN H H 8.725 . 1 678 . 65 ASN CA C 52.13 . 1 679 . 65 ASN HA H 4.76 . 1 680 . 65 ASN CB C 36.95 . 1 681 . 65 ASN HB2 H 2.74 . 2 682 . 65 ASN HB3 H 2.98 . 2 683 . 65 ASN ND2 N 111.1 . 1 684 . 65 ASN HD21 H 6.77 . 2 685 . 65 ASN HD22 H 7.3 . 2 686 . 65 ASN C C 172.939 . 1 687 . 66 ALA N N 127.459 . 1 688 . 66 ALA H H 7.157 . 1 689 . 66 ALA CA C 49.3 . 1 690 . 66 ALA HA H 5.86 . 1 691 . 66 ALA CB C 22.94 . 1 692 . 66 ALA HB H 1.28 . 1 693 . 66 ALA C C 176.64 . 1 694 . 67 VAL N N 118.843 . 1 695 . 67 VAL H H 8.72 . 1 696 . 67 VAL CA C 59.3 . 1 697 . 67 VAL HA H 4.3 . 1 698 . 67 VAL CB C 35.53 . 1 699 . 67 VAL HB H 1.87 . 1 700 . 67 VAL CG2 C 20.35 . 2 701 . 67 VAL HG2 H 0.84 . 4 702 . 67 VAL CG1 C 19.88 . 2 703 . 67 VAL HG1 H 0.85 . 4 704 . 67 VAL C C 172.84 . 1 705 . 68 ALA N N 127.666 . 1 706 . 68 ALA H H 8.329 . 1 707 . 68 ALA CA C 49.41 . 1 708 . 68 ALA HA H 5.56 . 1 709 . 68 ALA CB C 20.11 . 1 710 . 68 ALA HB H 1.22 . 1 711 . 68 ALA C C 176.28 . 1 712 . 69 TYR N N 117.932 . 1 713 . 69 TYR H H 8.656 . 1 714 . 69 TYR CA C 59.07 . 1 715 . 69 TYR HA H 4.04 . 1 716 . 69 TYR CB C 41.53 . 1 717 . 69 TYR HB2 H 2.44 . 2 718 . 69 TYR HB3 H 2.32 . 2 719 . 69 TYR CD1 C 132.07 . 1 720 . 69 TYR HD1 H 6.65 . 1 721 . 69 TYR CE1 C 117.5 . 1 722 . 69 TYR HE1 H 6.36 . 1 723 . 69 TYR CE2 C 117.5 . 1 724 . 69 TYR HE2 H 6.36 . 1 725 . 69 TYR CD2 C 132.07 . 1 726 . 69 TYR HD2 H 6.65 . 1 727 . 69 TYR C C 171.218 . 1 728 . 70 TYR N N 119.96 . 1 729 . 70 TYR H H 5.38 . 1 730 . 70 TYR CA C 52.95 . 1 731 . 70 TYR HA H 4.21 . 1 732 . 70 TYR CB C 38.77 . 1 733 . 70 TYR HB2 H 2.94 . 2 734 . 70 TYR HB3 H 3.46 . 2 735 . 70 TYR CD1 C 131.32 . 1 736 . 70 TYR HD1 H 6.78 . 1 737 . 70 TYR CE1 C 118.3 . 1 738 . 70 TYR HE1 H 6.66 . 1 739 . 70 TYR CE2 C 118.3 . 1 740 . 70 TYR HE2 H 6.66 . 1 741 . 70 TYR CD2 C 131.32 . 1 742 . 70 TYR HD2 H 6.78 . 1 743 . 70 TYR C C 173.607 . 1 744 . 71 ARG N N 117.555 . 1 745 . 71 ARG H H 8.17 . 1 746 . 71 ARG CA C 57.89 . 1 747 . 71 ARG HA H 3.94 . 1 748 . 71 ARG CB C 29.4 . 1 749 . 71 ARG HB2 H 1.76 . 1 750 . 71 ARG HB3 H 1.76 . 1 751 . 71 ARG CG C 26.8 . 1 752 . 71 ARG HG2 H 1.69 . 2 753 . 71 ARG HG3 H 1.64 . 2 754 . 71 ARG CD C 43.17 . 1 755 . 71 ARG HD2 H 3.21 . 1 756 . 71 ARG HD3 H 3.21 . 1 757 . 71 ARG NE N 85.007 . 1 758 . 71 ARG HE H 7.14 . 1 759 . 71 ARG C C 176.13 . 1 760 . 72 GLY N N 114.43 . 1 761 . 72 GLY H H 8.815 . 1 762 . 72 GLY CA C 44 . 1 763 . 72 GLY HA2 H 3.59 . 2 764 . 72 GLY HA3 H 4.42 . 2 765 . 72 GLY C C 174.635 . 1 766 . 73 LEU N N 120.385 . 1 767 . 73 LEU H H 7.526 . 1 768 . 73 LEU CA C 53.06 . 1 769 . 73 LEU HA H 4.59 . 1 770 . 73 LEU CB C 42.36 . 1 771 . 73 LEU HB2 H 1.36 . 2 772 . 73 LEU HB3 H 1.44 . 2 773 . 73 LEU CG C 25.84 . 1 774 . 73 LEU HG H 1.13 . 1 775 . 73 LEU CD1 C 25.8 . 2 776 . 73 LEU HD1 H 0.19 . 4 777 . 73 LEU CD2 C 22.2 . 2 778 . 73 LEU HD2 H 0.75 . 4 779 . 73 LEU C C 176.08 . 1 780 . 74 ASP N N 122.949 . 1 781 . 74 ASP H H 8.605 . 1 782 . 74 ASP CA C 53.19 . 1 783 . 74 ASP HA H 4.8 . 1 784 . 74 ASP CB C 42.83 . 1 785 . 74 ASP HB2 H 2.63 . 2 786 . 74 ASP HB3 H 2.75 . 2 787 . 74 ASP C C 177.03 . 1 788 . 75 VAL N N 123.131 . 1 789 . 75 VAL H H 8.491 . 1 790 . 75 VAL CA C 63.9 . 1 791 . 75 VAL HA H 3.78 . 1 792 . 75 VAL CB C 31.53 . 1 793 . 75 VAL HB H 2.16 . 1 794 . 75 VAL CG2 C 20.99 . 2 795 . 75 VAL HG2 H 0.95 . 4 796 . 75 VAL CG1 C 19.78 . 2 797 . 75 VAL HG1 H 0.95 . 4 798 . 75 VAL C C 176.972 . 1 799 . 76 SER N N 118.029 . 1 800 . 76 SER H H 8.682 . 1 801 . 76 SER CA C 59.78 . 1 802 . 76 SER HA H 4.23 . 1 803 . 76 SER CB C 62.25 . 1 804 . 76 SER HB2 H 3.93 . 1 805 . 76 SER HB3 H 3.93 . 1 806 . 76 SER C C 175.303 . 1 807 . 77 VAL N N 117.45 . 1 808 . 77 VAL H H 7.82 . 1 809 . 77 VAL CA C 62.95 . 1 810 . 77 VAL HA H 4.06 . 1 811 . 77 VAL CB C 31.4 . 1 812 . 77 VAL HB H 2.38 . 1 813 . 77 VAL CG2 C 19.27 . 2 814 . 77 VAL HG2 H 1.15 . 4 815 . 77 VAL CG1 C 20.99 . 2 816 . 77 VAL HG1 H 1.16 . 4 817 . 77 VAL C C 176.099 . 1 818 . 78 ILE N N 121.291 . 1 819 . 78 ILE H H 7.534 . 1 820 . 78 ILE CA C 58.6 . 1 821 . 78 ILE HA H 4 . 1 822 . 78 ILE CB C 37.76 . 1 823 . 78 ILE HB H 1.6 . 1 824 . 78 ILE CG1 C 27.16 . 2 825 . 78 ILE HG12 H 1.32 . 1 826 . 78 ILE HG13 H 0.44 . 9 827 . 78 ILE CD1 C 13.09 . 1 828 . 78 ILE HD1 H -0.002 . 1 829 . 78 ILE CG2 C 16.1 . 2 830 . 78 ILE HG2 H 0.31 . 4 831 . 79 PRO CA C 61.81 . 1 832 . 79 PRO HA H 4.61 . 1 833 . 79 PRO CB C 31.43 . 1 834 . 79 PRO HB2 H 2.345 . 2 835 . 79 PRO HB3 H 2.05 . 2 836 . 79 PRO CG C 27.56 . 1 837 . 79 PRO HG2 H 2.06 . 2 838 . 79 PRO HG3 H 1.9 . 2 839 . 79 PRO CD C 50.92 . 1 840 . 79 PRO HD2 H 4.24 . 2 841 . 79 PRO HD3 H 3.5 . 2 842 . 79 PRO C C 179 . 1 843 . 80 THR N N 117.705 . 1 844 . 80 THR H H 8.778 . 1 845 . 80 THR CA C 61.89 . 1 846 . 80 THR HA H 3.89 . 1 847 . 80 THR CB C 68.58 . 1 848 . 80 THR HB H 4.23 . 1 849 . 80 THR CG2 C 22.18 . 1 850 . 80 THR HG2 H 1.24 . 1 851 . 80 THR C C 173.504 . 1 852 . 81 ASN N N 117.216 . 1 853 . 81 ASN H H 7.884 . 1 854 . 81 ASN CA C 51.3 . 1 855 . 81 ASN HA H 4.83 . 1 856 . 81 ASN CB C 42.41 . 1 857 . 81 ASN HB2 H 2.58 . 2 858 . 81 ASN HB3 H 2.65 . 2 859 . 81 ASN ND2 N 114.1 . 1 860 . 81 ASN HD21 H 6.87 . 2 861 . 81 ASN HD22 H 7.44 . 2 862 . 81 ASN C C 174.81 . 1 863 . 82 GLY N N 108.362 . 1 864 . 82 GLY H H 8.479 . 1 865 . 82 GLY CA C 43.65 . 1 866 . 82 GLY HA2 H 4.16 . 2 867 . 82 GLY HA3 H 3.74 . 2 868 . 82 GLY C C 172.554 . 1 869 . 83 ASP N N 118.609 . 1 870 . 83 ASP H H 8.193 . 1 871 . 83 ASP CA C 54.83 . 1 872 . 83 ASP HA H 4.24 . 1 873 . 83 ASP CB C 40.35 . 1 874 . 83 ASP HB2 H 2.58 . 2 875 . 83 ASP HB3 H 2.8 . 2 876 . 83 ASP C C 176.844 . 1 877 . 84 VAL N N 120.609 . 1 878 . 84 VAL H H 8.304 . 1 879 . 84 VAL CA C 60.83 . 1 880 . 84 VAL HA H 4.78 . 1 881 . 84 VAL CB C 33.06 . 1 882 . 84 VAL HB H 2.23 . 1 883 . 84 VAL CG2 C 22.14 . 2 884 . 84 VAL HG2 H 0.93 . 4 885 . 84 VAL CG1 C 18.23 . 2 886 . 84 VAL HG1 H 0.82 . 4 887 . 84 VAL C C 174.89 . 1 888 . 85 VAL N N 126.062 . 1 889 . 85 VAL H H 8.374 . 1 890 . 85 VAL CA C 60.6 . 1 891 . 85 VAL HA H 4.89 . 1 892 . 85 VAL CB C 33.18 . 1 893 . 85 VAL HB H 1.63 . 1 894 . 85 VAL CG2 C 23.97 . 2 895 . 85 VAL HG2 H 0.98 . 4 896 . 85 VAL CG1 C 20.92 . 2 897 . 85 VAL HG1 H 0.63 . 4 898 . 85 VAL C C 174.77 . 1 899 . 86 VAL N N 129.239 . 1 900 . 86 VAL H H 9.208 . 1 901 . 86 VAL CA C 60.1 . 1 902 . 86 VAL HA H 4.59 . 1 903 . 86 VAL CB C 31.45 . 1 904 . 86 VAL HB H 1.71 . 1 905 . 86 VAL CG2 C 23.38 . 2 906 . 86 VAL HG2 H 0.92 . 4 907 . 86 VAL CG1 C 20.92 . 2 908 . 86 VAL HG1 H 0.59 . 4 909 . 86 VAL C C 173.53 . 1 910 . 87 VAL N N 129.577 . 1 911 . 87 VAL H H 8.994 . 1 912 . 87 VAL CA C 60.36 . 1 913 . 87 VAL HA H 4.91 . 1 914 . 87 VAL CB C 31.64 . 1 915 . 87 VAL HB H 2.05 . 1 916 . 87 VAL CG2 C 20.17 . 2 917 . 87 VAL HG2 H 0.69 . 4 918 . 87 VAL CG1 C 26.46 . 2 919 . 87 VAL HG1 H 1.24 . 4 920 . 87 VAL C C 174.5 . 1 921 . 88 ALA N N 129.682 . 1 922 . 88 ALA H H 9.39 . 1 923 . 88 ALA CA C 50.48 . 1 924 . 88 ALA HA H 6.31 . 1 925 . 88 ALA CB C 26 . 1 926 . 88 ALA HB H 1.34 . 1 927 . 88 ALA C C 177.461 . 1 928 . 89 THR N N 105.87 . 1 929 . 89 THR H H 7.423 . 1 930 . 89 THR CA C 59.07 . 1 931 . 89 THR HA H 5.18 . 1 932 . 89 THR CB C 70.14 . 1 933 . 89 THR HB H 4.82 . 1 934 . 89 THR HG2 H 1.07 . 1 935 . 90 ASP N N 117.2 . 1 936 . 90 ASP H H 8.81 . 1 937 . 90 ASP CA C 56 . 1 938 . 90 ASP HA H 4.71 . 1 939 . 90 ASP CB C 41.5 . 1 940 . 90 ASP HB2 H 2.66 . 1 941 . 90 ASP HB3 H 2.66 . 1 942 . 90 ASP C C 177.204 . 1 943 . 91 ALA N N 123.377 . 1 944 . 91 ALA H H 8.147 . 1 945 . 91 ALA CA C 53.42 . 1 946 . 91 ALA HA H 4.23 . 1 947 . 91 ALA CB C 18.46 . 1 948 . 91 ALA HB H 1.37 . 1 949 . 91 ALA C C 178.822 . 1 950 . 92 LEU N N 118.194 . 1 951 . 92 LEU H H 8.098 . 1 952 . 92 LEU CA C 56.6 . 1 953 . 92 LEU HA H 4.04 . 1 954 . 92 LEU CB C 42.12 . 1 955 . 92 LEU HB3 H 1.84 . 2 956 . 92 LEU CG C 25.25 . 1 957 . 92 LEU CD1 C 24.47 . 2 958 . 92 LEU HD1 H 0.65 . 4 959 . 92 LEU CD2 C 25.5 . 2 960 . 92 LEU HD2 H 0.81 . 4 961 . 92 LEU C C 173.993 . 1 962 . 93 MET N N 115.338 . 1 963 . 93 MET H H 8.029 . 1 964 . 93 MET CA C 56.4 . 1 965 . 93 MET HA H 4.36 . 1 966 . 93 MET CB C 31.03 . 1 967 . 93 MET HB2 H 2.17 . 2 968 . 93 MET HB3 H 2.25 . 2 969 . 93 MET CG C 33.1 . 1 970 . 93 MET HG2 H 2.77 . 2 971 . 93 MET HG3 H 2.6 . 2 972 . 93 MET CE C 16.75 . 1 973 . 93 MET HE H 1.96 . 1 974 . 94 THR N N 109.996 . 1 975 . 94 THR H H 7.673 . 1 976 . 94 THR CA C 62.48 . 1 977 . 94 THR HA H 4.25 . 1 978 . 94 THR CB C 68.62 . 1 979 . 94 THR HB H 4.26 . 1 980 . 94 THR CG2 C 21.46 . 1 981 . 94 THR HG2 H 1.21 . 1 982 . 94 THR C C 175.534 . 1 983 . 95 GLY N N 109.314 . 1 984 . 95 GLY H H 8.064 . 1 985 . 95 GLY CA C 45.26 . 1 986 . 95 GLY HA2 H 3.85 . 2 987 . 95 GLY HA3 H 4.16 . 2 988 . 95 GLY C C 172.991 . 1 989 . 96 PHE N N 120.602 . 1 990 . 96 PHE H H 7.977 . 1 991 . 96 PHE CA C 56.83 . 1 992 . 96 PHE HA H 4.85 . 1 993 . 96 PHE CB C 41.18 . 1 994 . 96 PHE HB2 H 2.95 . 2 995 . 96 PHE HB3 H 2.74 . 2 996 . 96 PHE CD1 C 132.1 . 1 997 . 96 PHE HD1 H 7.13 . 1 998 . 96 PHE HE1 H 7.05 . 1 999 . 96 PHE CZ C 134 . 1 1000 . 96 PHE HZ H 7 . 1 1001 . 96 PHE HE2 H 7.05 . 1 1002 . 96 PHE CD2 C 132.1 . 1 1003 . 96 PHE HD2 H 7.13 . 1 1004 . 96 PHE C C 175.534 . 1 1005 . 97 THR N N 108.76 . 1 1006 . 97 THR H H 8.127 . 1 1007 . 97 THR CA C 61.68 . 1 1008 . 97 THR HA H 4.2 . 1 1009 . 97 THR CB C 68.72 . 1 1010 . 97 THR HB H 4.13 . 1 1011 . 97 THR CG2 C 20.71 . 1 1012 . 97 THR HG2 H 1.01 . 1 1013 . 97 THR C C 173.787 . 1 1014 . 98 GLY N N 109.057 . 1 1015 . 98 GLY H H 6.352 . 1 1016 . 98 GLY CA C 44.71 . 1 1017 . 98 GLY HA2 H 3.64 . 2 1018 . 98 GLY HA3 H 3.34 . 2 1019 . 98 GLY C C 171.244 . 1 1020 . 99 ASP N N 118.543 . 1 1021 . 99 ASP H H 7.954 . 1 1022 . 99 ASP CA C 52.71 . 1 1023 . 99 ASP HA H 4.93 . 1 1024 . 99 ASP CB C 42.7 . 1 1025 . 99 ASP HB2 H 2.53 . 2 1026 . 99 ASP HB3 H 2.43 . 2 1027 . 99 ASP C C 175.51 . 1 1028 . 100 PHE N N 117.267 . 1 1029 . 100 PHE H H 8.595 . 1 1030 . 100 PHE CA C 58.01 . 1 1031 . 100 PHE HA H 4.46 . 1 1032 . 100 PHE CB C 42.47 . 1 1033 . 100 PHE HB2 H 2.6 . 2 1034 . 100 PHE HB3 H 3.34 . 2 1035 . 100 PHE CD1 C 132.1 . 1 1036 . 100 PHE HD1 H 7.09 . 1 1037 . 100 PHE CE1 C 131.3 . 2 1038 . 100 PHE HE1 H 7.06 . 1 1039 . 100 PHE CZ C 127.75 . 1 1040 . 100 PHE HZ H 6.78 . 1 1041 . 100 PHE CE2 C 131.32 . 2 1042 . 100 PHE HE2 H 7.06 . 1 1043 . 100 PHE CD2 C 132.1 . 1 1044 . 100 PHE HD2 H 7.09 . 1 1045 . 100 PHE C C 175.77 . 1 1046 . 101 ASP N N 124.711 . 1 1047 . 101 ASP H H 9.506 . 1 1048 . 101 ASP CA C 56.83 . 1 1049 . 101 ASP HA H 4.5 . 1 1050 . 101 ASP CB C 40.82 . 1 1051 . 101 ASP HB2 H 2.51 . 2 1052 . 101 ASP HB3 H 2.8 . 2 1053 . 101 ASP C C 176.459 . 1 1054 . 102 SER N N 111.597 . 1 1055 . 102 SER H H 7.78 . 1 1056 . 102 SER CA C 57.42 . 1 1057 . 102 SER HA H 5.67 . 1 1058 . 102 SER CB C 65.9 . 1 1059 . 102 SER HB2 H 3.84 . 2 1060 . 102 SER HB3 H 4.12 . 2 1061 . 102 SER C C 171.629 . 1 1062 . 103 VAL N N 119.78 . 1 1063 . 103 VAL H H 8.712 . 1 1064 . 103 VAL CA C 59.79 . 1 1065 . 103 VAL HA H 5.23 . 1 1066 . 103 VAL CB C 37.17 . 1 1067 . 103 VAL HB H 2.11 . 1 1068 . 103 VAL CG2 C 22.9 . 2 1069 . 103 VAL HG2 H 1.21 . 4 1070 . 103 VAL CG1 C 21.32 . 2 1071 . 103 VAL HG1 H 1.21 . 4 1072 . 103 VAL C C 173.9 . 1 1073 . 104 ILE N N 127.02 . 1 1074 . 104 ILE H H 9.554 . 1 1075 . 104 ILE CA C 60.01 . 1 1076 . 104 ILE HA H 4.68 . 1 1077 . 104 ILE CB C 38.24 . 1 1078 . 104 ILE HB H 1.56 . 1 1079 . 104 ILE CG1 C 26.73 . 2 1080 . 104 ILE HG12 H 0.61 . 1 1081 . 104 ILE HG13 H 1.51 . 1 1082 . 104 ILE CD1 C 13.07 . 1 1083 . 104 ILE HD1 H 0.46 . 1 1084 . 104 ILE CG2 C 17.7 . 2 1085 . 104 ILE HG2 H 0.294 . 4 1086 . 104 ILE C C 173.76 . 1 1087 . 105 ASP N N 127.296 . 1 1088 . 105 ASP H H 8.852 . 1 1089 . 105 ASP CA C 52.6 . 1 1090 . 105 ASP HA H 5.24 . 1 1091 . 105 ASP CB C 44.47 . 1 1092 . 105 ASP HB2 H 2.6 . 2 1093 . 105 ASP HB3 H 3.07 . 2 1094 . 106 CYS N N 120.29 . 1 1095 . 106 CYS H H 7.23 . 1 1096 . 106 CYS CA C 57.73 . 1 1097 . 106 CYS HA H 3.99 . 1 1098 . 106 CYS CB C 27.7 . 1 1099 . 106 CYS HB2 H 1.19 . 2 1100 . 106 CYS HB3 H 2.57 . 2 1101 . 106 CYS C C 174.07 . 1 1102 . 107 ASN N N 115.176 . 1 1103 . 107 ASN H H 9.149 . 1 1104 . 107 ASN CA C 54.69 . 1 1105 . 107 ASN HA H 3.99 . 1 1106 . 107 ASN CB C 37.71 . 1 1107 . 107 ASN HB2 H 2.63 . 2 1108 . 107 ASN HB3 H 3.14 . 2 1109 . 107 ASN ND2 N 108.93 . 1 1110 . 107 ASN HD21 H 8.13 . 2 1111 . 107 ASN HD22 H 6.31 . 2 1112 . 107 ASN C C 173.222 . 1 1113 . 108 THR N N 109.333 . 1 1114 . 108 THR H H 7.352 . 1 1115 . 108 THR CA C 60.34 . 1 1116 . 108 THR HA H 4.5 . 1 1117 . 108 THR CB C 69.6 . 1 1118 . 108 THR HB H 3.9 . 1 1119 . 108 THR CG2 C 19.95 . 1 1120 . 108 THR HG2 H 0.82 . 1 1121 . 108 THR C C 172.657 . 1 1122 . 109 SER N N 118.843 . 1 1123 . 109 SER H H 8.705 . 1 1124 . 109 SER CA C 56.62 . 1 1125 . 109 SER HA H 4.62 . 1 1126 . 109 SER CB C 63.09 . 1 1127 . 109 SER HB2 H 3.72 . 2 1128 . 109 SER HB3 H 3.58 . 2 1129 . 109 SER C C 174.25 . 1 1130 . 110 ASP N N 124.657 . 1 1131 . 110 ASP H H 8.948 . 1 1132 . 110 ASP CA C 54.37 . 1 1133 . 110 ASP HA H 4.55 . 1 1134 . 110 ASP CB C 39.25 . 1 1135 . 110 ASP HB2 H 2.95 . 2 1136 . 110 ASP HB3 H 2.76 . 2 1137 . 110 ASP C C 175.791 . 1 1138 . 111 GLY N N 106.637 . 1 1139 . 111 GLY H H 8.146 . 1 1140 . 111 GLY CA C 45.01 . 1 1141 . 111 GLY HA2 H 4.16 . 2 1142 . 111 GLY HA3 H 3.62 . 2 1143 . 111 GLY C C 173.736 . 1 1144 . 112 LYS N N 120.622 . 1 1145 . 112 LYS H H 7.585 . 1 1146 . 112 LYS CA C 53.45 . 1 1147 . 112 LYS HA H 4.76 . 1 1148 . 112 LYS CB C 32.16 . 1 1149 . 112 LYS HB2 H 1.9 . 2 1150 . 112 LYS HB3 H 1.69 . 2 1151 . 112 LYS CG C 24.13 . 1 1152 . 112 LYS HG2 H 1.4 . 1 1153 . 112 LYS HG3 H 1.4 . 1 1154 . 112 LYS CD C 28.6 . 1 1155 . 112 LYS HD2 H 1.68 . 1 1156 . 112 LYS HD3 H 1.68 . 1 1157 . 112 LYS HE2 H 2.99 . 1 1158 . 112 LYS HE3 H 2.99 . 1 1159 . 113 PRO CA C 62.8 . 1 1160 . 113 PRO HA H 4.4 . 1 1161 . 113 PRO CB C 31.37 . 1 1162 . 113 PRO HB2 H 2.29 . 1 1163 . 113 PRO HB3 H 2.29 . 1 1164 . 113 PRO CG C 27.28 . 1 1165 . 113 PRO HG2 H 2.07 . 2 1166 . 113 PRO HG3 H 1.93 . 2 1167 . 113 PRO CD C 49.67 . 1 1168 . 113 PRO HD2 H 3.78 . 2 1169 . 113 PRO HD3 H 3.55 . 2 1170 . 113 PRO C C 176.639 . 1 1171 . 114 GLN N N 123.516 . 1 1172 . 114 GLN H H 8.236 . 1 1173 . 114 GLN CA C 55.1 . 1 1174 . 114 GLN HA H 4.19 . 1 1175 . 114 GLN CB C 30.1 . 1 1176 . 114 GLN HB2 H 1.35 . 2 1177 . 114 GLN HB3 H 1.74 . 2 1178 . 114 GLN CG C 33.09 . 1 1179 . 114 GLN HG2 H 2.29 . 2 1180 . 114 GLN HG3 H 2.5 . 2 1181 . 114 GLN C C 170.94 . 1 1182 . 115 ASP N N 126.284 . 1 1183 . 115 ASP H H 8.355 . 1 1184 . 115 ASP CA C 52.01 . 1 1185 . 115 ASP HA H 4.7 . 1 1186 . 115 ASP CB C 41.31 . 1 1187 . 115 ASP HB2 H 3.06 . 2 1188 . 115 ASP HB3 H 2.69 . 2 1189 . 115 ASP C C 175.82 . 1 1190 . 116 ALA N N 121.182 . 1 1191 . 116 ALA H H 8.391 . 1 1192 . 116 ALA CA C 54.58 . 1 1193 . 116 ALA HA H 3.96 . 1 1194 . 116 ALA CB C 18.07 . 1 1195 . 116 ALA HB H 1.34 . 1 1196 . 116 ALA C C 176.724 . 1 1197 . 117 VAL N N 119.249 . 1 1198 . 117 VAL H H 7.66 . 1 1199 . 117 VAL CA C 65.49 . 1 1200 . 117 VAL HA H 3.61 . 1 1201 . 117 VAL CB C 30.82 . 1 1202 . 117 VAL HB H 2.05 . 1 1203 . 117 VAL CG2 C 22.15 . 2 1204 . 117 VAL HG2 H 0.92 . 4 1205 . 117 VAL CG1 C 20.6 . 2 1206 . 117 VAL HG1 H 0.89 . 4 1207 . 117 VAL C C 178.18 . 1 1208 . 118 SER N N 116.495 . 1 1209 . 118 SER H H 7.984 . 1 1210 . 118 SER CA C 60.24 . 1 1211 . 118 SER HA H 4.11 . 1 1212 . 118 SER CB C 61.68 . 1 1213 . 118 SER HB2 H 3.9 . 2 1214 . 118 SER HB3 H 3.83 . 2 1215 . 118 SER C C 176.484 . 1 1216 . 119 ARG N N 120.565 . 1 1217 . 119 ARG H H 7.941 . 1 1218 . 119 ARG CA C 59.9 . 1 1219 . 119 ARG HA H 3.97 . 1 1220 . 119 ARG CB C 30.07 . 1 1221 . 119 ARG HB2 H 1.6 . 2 1222 . 119 ARG HB3 H 1.73 . 2 1223 . 119 ARG CG C 27.17 . 1 1224 . 119 ARG HG2 H 1.18 . 1 1225 . 119 ARG HG3 H 1.18 . 1 1226 . 119 ARG CD C 42.78 . 1 1227 . 119 ARG HD2 H 2.86 . 2 1228 . 119 ARG HD3 H 2.9 . 2 1229 . 119 ARG NE N 86.07 . 1 1230 . 119 ARG HE H 7.31 . 1 1231 . 119 ARG C C 177.563 . 1 1232 . 120 THR N N 112.855 . 1 1233 . 120 THR H H 7.844 . 1 1234 . 120 THR CA C 65.9 . 1 1235 . 120 THR HA H 3.58 . 1 1236 . 120 THR CB C 67.78 . 1 1237 . 120 THR HB H 4.21 . 1 1238 . 120 THR CG2 C 21.17 . 1 1239 . 120 THR HG2 H 1.16 . 1 1240 . 120 THR C C 177.178 . 1 1241 . 121 GLN N N 121.978 . 1 1242 . 121 GLN H H 8.119 . 1 1243 . 121 GLN CA C 58.13 . 1 1244 . 121 GLN HA H 3.98 . 1 1245 . 121 GLN CB C 27.52 . 1 1246 . 121 GLN HB2 H 1.96 . 2 1247 . 121 GLN HB3 H 2.18 . 2 1248 . 121 GLN CG C 33.65 . 1 1249 . 121 GLN HG2 H 2.35 . 2 1250 . 121 GLN HG3 H 2.52 . 2 1251 . 121 GLN NE2 N 111.44 . 1 1252 . 121 GLN HE21 H 6.77 . 2 1253 . 121 GLN HE22 H 7.31 . 2 1254 . 121 GLN C C 178.859 . 1 1255 . 122 ARG N N 120.09 . 1 1256 . 122 ARG H H 8.21 . 1 1257 . 122 ARG CA C 60.65 . 1 1258 . 122 ARG HA H 3.68 . 1 1259 . 122 ARG CB C 30.07 . 1 1260 . 122 ARG HB2 H 1.421 . 2 1261 . 122 ARG HB3 H 1.42 . 2 1262 . 122 ARG CG C 27.38 . 1 1263 . 122 ARG HG2 H 1.66 . 2 1264 . 122 ARG HG3 H 1.2 . 2 1265 . 122 ARG CD C 43.85 . 1 1266 . 122 ARG HD2 H 2.99 . 1 1267 . 122 ARG HD3 H 2.99 . 1 1268 . 122 ARG NE N 85.52 . 1 1269 . 122 ARG HE H 6.48 . 1 1270 . 122 ARG C C 177.717 . 1 1271 . 123 ARG N N 118.08 . 1 1272 . 123 ARG H H 8.045 . 1 1273 . 123 ARG CA C 58.71 . 1 1274 . 123 ARG HA H 3.63 . 1 1275 . 123 ARG CB C 29.86 . 1 1276 . 123 ARG HB2 H 0.72 . 2 1277 . 123 ARG HB3 H 1.36 . 2 1278 . 123 ARG CG C 26.3 . 1 1279 . 123 ARG HG2 H 1.24 . 2 1280 . 123 ARG HG3 H 0.86 . 2 1281 . 123 ARG CD C 43.32 . 1 1282 . 123 ARG HD2 H 2.63 . 2 1283 . 123 ARG HD3 H 2.48 . 2 1284 . 123 ARG NE N 84.23 . 1 1285 . 123 ARG HE H 7.39 . 1 1286 . 123 ARG C C 175.714 . 1 1287 . 124 GLY N N 99.334 . 1 1288 . 124 GLY H H 7.324 . 1 1289 . 124 GLY CA C 45.06 . 1 1290 . 124 GLY HA2 H 3.72 . 2 1291 . 124 GLY HA3 H 4.17 . 2 1292 . 124 GLY C C 174.994 . 1 1293 . 125 ARG N N 117.764 . 1 1294 . 125 ARG H H 7.438 . 1 1295 . 125 ARG CA C 54.3 . 1 1296 . 125 ARG HA H 4.59 . 1 1297 . 125 ARG CB C 28.89 . 1 1298 . 125 ARG HB2 H 2.3 . 1 1299 . 125 ARG HB3 H 2.3 . 1 1300 . 125 ARG CG C 26.31 . 1 1301 . 125 ARG HG2 H 2.17 . 2 1302 . 125 ARG HG3 H 1.85 . 2 1303 . 125 ARG CD C 41.92 . 1 1304 . 125 ARG HD2 H 3.33 . 2 1305 . 125 ARG HD3 H 3.39 . 2 1306 . 125 ARG NE N 84.516 . 1 1307 . 125 ARG HE H 7.45 . 1 1308 . 125 ARG C C 174.275 . 1 1309 . 126 THR N N 114.056 . 1 1310 . 126 THR H H 7.778 . 1 1311 . 126 THR CA C 59.17 . 1 1312 . 126 THR HA H 5.24 . 1 1313 . 126 THR CB C 70.46 . 1 1314 . 126 THR HB H 3.93 . 1 1315 . 126 THR CG2 C 17.26 . 1 1316 . 126 THR C C 172.58 . 1 1317 . 127 GLY N N 109.978 . 1 1318 . 127 GLY H H 8.385 . 1 1319 . 127 GLY CA C 45.65 . 1 1320 . 127 GLY HA2 H 3.83 . 2 1321 . 127 GLY HA3 H 4.3 . 2 1322 . 127 GLY C C 175.35 . 1 1323 . 128 ARG N N 120.678 . 1 1324 . 128 ARG H H 8.514 . 1 1325 . 128 ARG CA C 55.8 . 1 1326 . 128 ARG HA H 4.3 . 1 1327 . 128 ARG CB C 28.57 . 1 1328 . 128 ARG HB2 H 1.73 . 1 1329 . 128 ARG HB3 H 1.73 . 1 1330 . 128 ARG CG C 26.52 . 1 1331 . 128 ARG HG2 H 1.51 . 2 1332 . 128 ARG HG3 H 1.49 . 2 1333 . 128 ARG CD C 42.88 . 1 1334 . 128 ARG HD2 H 3.14 . 1 1335 . 128 ARG HD3 H 3.14 . 1 1336 . 128 ARG NE N 84.85 . 1 1337 . 128 ARG HE H 7.33 . 1 1338 . 128 ARG C C 176.77 . 1 1339 . 129 GLY N N 111.566 . 1 1340 . 129 GLY H H 8.536 . 1 1341 . 129 GLY CA C 45.06 . 1 1342 . 129 GLY HA2 H 3.87 . 1 1343 . 129 GLY HA3 H 3.87 . 1 1344 . 129 GLY C C 172.657 . 1 1345 . 130 LYS N N 119.155 . 1 1346 . 130 LYS H H 7.577 . 1 1347 . 130 LYS CA C 53.53 . 1 1348 . 130 LYS HA H 4.63 . 1 1349 . 130 LYS CB C 31.29 . 1 1350 . 130 LYS HB2 H 1.78 . 2 1351 . 130 LYS HB3 H 1.94 . 2 1352 . 130 LYS CG C 22.64 . 1 1353 . 130 LYS HG2 H 1.27 . 1 1354 . 130 LYS HG3 H 1.27 . 1 1355 . 130 LYS CD C 28.98 . 1 1356 . 130 LYS HD2 H 1.64 . 1 1357 . 130 LYS HD3 H 1.64 . 1 1358 . 130 LYS CE C 41.5 . 1 1359 . 130 LYS HE2 H 2.94 . 1 1360 . 130 LYS HE3 H 2.94 . 1 1361 . 131 PRO CA C 63.34 . 1 1362 . 131 PRO HA H 4.66 . 1 1363 . 131 PRO CB C 31.48 . 1 1364 . 131 PRO HB2 H 2.43 . 2 1365 . 131 PRO HB3 H 1.92 . 2 1366 . 131 PRO CG C 27.49 . 1 1367 . 131 PRO HG2 H 1.94 . 2 1368 . 131 PRO HG3 H 2.1 . 2 1369 . 131 PRO CD C 49.67 . 1 1370 . 131 PRO HD2 H 3.58 . 2 1371 . 131 PRO HD3 H 3.79 . 2 1372 . 131 PRO C C 177.31 . 1 1373 . 132 GLY N N 110.199 . 1 1374 . 132 GLY H H 8.754 . 1 1375 . 132 GLY CA C 44.47 . 1 1376 . 132 GLY HA2 H 4.1 . 2 1377 . 132 GLY HA3 H 4.86 . 2 1378 . 132 GLY C C 172.939 . 1 1379 . 133 ILE N N 120.359 . 1 1380 . 133 ILE H H 7.263 . 1 1381 . 133 ILE CA C 60.01 . 1 1382 . 133 ILE HA H 5.05 . 1 1383 . 133 ILE CB C 41.81 . 1 1384 . 133 ILE HB H 1.67 . 1 1385 . 133 ILE CG1 C 27.6 . 2 1386 . 133 ILE HG12 H 1.61 . 9 1387 . 133 ILE HG13 H 1.12 . 9 1388 . 133 ILE CD1 C 13.19 . 1 1389 . 133 ILE HD1 H 0.89 . 1 1390 . 133 ILE CG2 C 16.9 . 2 1391 . 133 ILE HG2 H 0.86 . 4 1392 . 133 ILE C C 172.63 . 1 1393 . 134 TYR N N 130.013 . 1 1394 . 134 TYR H H 9.235 . 1 1395 . 134 TYR CA C 54.95 . 1 1396 . 134 TYR HA H 5.65 . 1 1397 . 134 TYR CB C 42 . 1 1398 . 134 TYR HB2 H 2.72 . 2 1399 . 134 TYR HB3 H 2.81 . 2 1400 . 134 TYR HD1 H 6.98 . 1 1401 . 134 TYR CE1 C 117.56 . 1 1402 . 134 TYR HE1 H 6.53 . 2 1403 . 134 TYR CE2 C 117.56 . 1 1404 . 134 TYR CD2 C 132.56 . 2 1405 . 134 TYR HD2 H 6.98 . 1 1406 . 134 TYR C C 173.31 . 1 1407 . 135 ARG N N 126.071 . 1 1408 . 135 ARG H H 9.517 . 1 1409 . 135 ARG CA C 52.79 . 1 1410 . 135 ARG HA H 5.784 . 1 1411 . 135 ARG CB C 30.94 . 1 1412 . 135 ARG HB2 H 1.58 . 2 1413 . 135 ARG HB3 H 1.43 . 2 1414 . 135 ARG CG C 28.46 . 1 1415 . 135 ARG HG2 H 1.35 . 2 1416 . 135 ARG HG3 H 1.5 . 2 1417 . 135 ARG CD C 41.7 . 1 1418 . 135 ARG HD2 H 3.29 . 1 1419 . 135 ARG HD3 H 3.29 . 1 1420 . 135 ARG NE N 85.711 . 1 1421 . 135 ARG HE H 8.37 . 1 1422 . 135 ARG C C 175.123 . 1 1423 . 136 PHE N N 114.916 . 1 1424 . 136 PHE H H 6.98 . 1 1425 . 136 PHE CA C 54 . 1 1426 . 136 PHE HA H 5.5 . 1 1427 . 136 PHE CB C 40.23 . 1 1428 . 136 PHE HB2 H 3.67 . 2 1429 . 136 PHE HB3 H 2.61 . 2 1430 . 136 PHE CD1 C 130.95 . 1 1431 . 136 PHE HD1 H 6.88 . 1 1432 . 136 PHE HE1 H 7.18 . 1 1433 . 136 PHE CZ C 133 . 1 1434 . 136 PHE HZ H 7.4 . 1 1435 . 136 PHE CE2 C 133 . 2 1436 . 136 PHE HE2 H 7.18 . 1 1437 . 136 PHE CD2 C 130.95 . 1 1438 . 136 PHE HD2 H 6.88 . 1 1439 . 137 VAL N N 120.5 . 1 1440 . 137 VAL H H 8.09 . 1 1441 . 137 VAL CA C 63.44 . 1 1442 . 137 VAL HA H 4.04 . 1 1443 . 137 VAL CB C 32.87 . 1 1444 . 137 VAL HB H 2.17 . 1 1445 . 137 VAL CG2 C 23.79 . 2 1446 . 137 VAL HG2 H 1.09 . 4 1447 . 137 VAL CG1 C 21.57 . 2 1448 . 137 VAL HG1 H 1.08 . 4 1449 . 137 VAL C C 175.45 . 1 1450 . 138 ALA N N 127.943 . 1 1451 . 138 ALA H H 8.982 . 1 1452 . 138 ALA CA C 48.95 . 1 1453 . 138 ALA HA H 5.03 . 1 1454 . 138 ALA CB C 19.88 . 1 1455 . 138 ALA HB H 1.39 . 1 1456 . 139 PRO CA C 62.27 . 1 1457 . 139 PRO HA H 4.12 . 1 1458 . 139 PRO CB C 31.9 . 1 1459 . 139 PRO HB2 H 2 . 2 1460 . 139 PRO HB3 H 2.29 . 2 1461 . 139 PRO CG C 26.74 . 1 1462 . 139 PRO HG2 H 2.06 . 1 1463 . 139 PRO HG3 H 2.06 . 1 1464 . 139 PRO CD C 50.64 . 1 1465 . 139 PRO HD2 H 3.93 . 2 1466 . 139 PRO HD3 H 3.8 . 2 1467 . 139 PRO C C 176.69 . 1 1468 . 140 GLY N N 108.175 . 1 1469 . 140 GLY H H 8.277 . 1 1470 . 140 GLY CA C 44.09 . 1 1471 . 140 GLY HA2 H 3.63 . 2 1472 . 140 GLY HA3 H 3.93 . 2 1473 . 141 GLU N N 120.922 . 1 1474 . 141 GLU H H 8.236 . 1 1475 . 141 GLU CA C 56.12 . 1 1476 . 141 GLU HA H 4.23 . 1 1477 . 141 GLU CB C 30.11 . 1 1478 . 141 GLU HB2 H 1.98 . 2 1479 . 141 GLU HB3 H 1.86 . 2 1480 . 141 GLU CG C 35.78 . 1 1481 . 141 GLU HG2 H 2.24 . 1 1482 . 141 GLU HG3 H 2.24 . 1 1483 . 141 GLU C C 175.585 . 1 1484 . 142 ARG N N 126.7 . 1 1485 . 142 ARG H H 7.969 . 1 1486 . 142 ARG CA C 56.71 . 1 1487 . 142 ARG HA H 4.12 . 1 1488 . 142 ARG CB C 31.17 . 1 1489 . 142 ARG HB2 H 1.84 . 2 1490 . 142 ARG HB3 H 1.67 . 2 1491 . 142 ARG HG3 H 1.54 . 2 1492 . 142 ARG HD3 H 3.145 . 2 stop_ save_