data_4839 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Full assignments of RSVPR deltaLAM ; _BMRB_accession_number 4839 _BMRB_flat_file_name bmr4839.str _Entry_type original _Submission_date 2000-09-25 _Accession_date 2000-09-25 _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 Reinking Jeffrey L. . 2 Schatz Gisela W . 3 Vogt Volker M. . 4 Nicholson Linda K. . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 576 "13C chemical shifts" 433 "15N chemical shifts" 106 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2001-04-26 original author . stop_ _Original_release_date 2001-04-26 save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title ; Letter to the editor: 1H, 15N and 13C assignments of a monomeric N-terminal deletion mutant of the Rous sarcoma virus protease ; _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID ? loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Reinking Jeffrey L. . 2 Schatz Gisela W . 3 Vogt Volker M. . 4 Nicholson Linda K. . stop_ _Journal_abbreviation 'J. Biomol. NMR' _Journal_volume 19 _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 2001 _Details . loop_ _Keyword NMR assignment RSVPR deltaLAM stop_ save_ ################################## # Molecular system description # ################################## save_RSVPR_deltaLAM _Saveframe_category molecular_system _Mol_system_name 'Rous sarcoma virus protease delta LAM mutant' _Abbreviation_common 'RSVPR deltaLAM' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label 'RSVPR deltaLAM' $RSVPR stop_ _System_molecular_weight . _System_physical_state native _System_oligomer_state monomer _System_paramagnetic no _System_thiol_state 'all free' loop_ _Biological_function 'retroviral protease' stop_ _Database_query_date . _Details . save_ ######################## # Monomeric polymers # ######################## save_RSVPR _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common 'Rous sarcoma virus protease' _Name_variant deltaLAM _Abbreviation_common RSVPR _Molecular_mass 13285 _Mol_thiol_state 'all free' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 121 _Mol_residue_sequence ; TMEHKDRPLVRVILTNTGSH PVKQRSVYITALLDSGADIT IISEEDWPTDWPVMEAANPQ IHGIGGGIPMRKSRDMIELG VINRDGSLERPLLLFPAVAM VRGSILGRDCLQGLGLRLTN L ; loop_ _Residue_seq_code _Residue_author_seq_code _Residue_label 1 4 THR 2 5 MET 3 6 GLU 4 7 HIS 5 8 LYS 6 9 ASP 7 10 ARG 8 11 PRO 9 12 LEU 10 13 VAL 11 14 ARG 12 15 VAL 13 16 ILE 14 17 LEU 15 18 THR 16 19 ASN 17 20 THR 18 21 GLY 19 22 SER 20 23 HIS 21 24 PRO 22 25 VAL 23 26 LYS 24 27 GLN 25 28 ARG 26 29 SER 27 30 VAL 28 31 TYR 29 32 ILE 30 33 THR 31 34 ALA 32 25 LEU 33 36 LEU 34 37 ASP 35 38 SER 36 39 GLY 37 40 ALA 38 41 ASP 39 42 ILE 40 43 THR 41 44 ILE 42 45 ILE 43 46 SER 44 47 GLU 45 48 GLU 46 49 ASP 47 50 TRP 48 51 PRO 49 52 THR 50 53 ASP 51 54 TRP 52 55 PRO 53 56 VAL 54 57 MET 55 58 GLU 56 59 ALA 57 60 ALA 58 61 ASN 59 62 PRO 60 63 GLN 61 64 ILE 62 65 HIS 63 66 GLY 64 67 ILE 65 68 GLY 66 69 GLY 67 70 GLY 68 71 ILE 69 72 PRO 70 73 MET 71 74 ARG 72 75 LYS 73 76 SER 74 77 ARG 75 78 ASP 76 79 MET 77 80 ILE 78 81 GLU 79 82 LEU 80 83 GLY 81 84 VAL 82 85 ILE 83 86 ASN 84 87 ARG 85 88 ASP 86 89 GLY 87 90 SER 88 91 LEU 89 92 GLU 90 93 ARG 91 94 PRO 92 95 LEU 93 96 LEU 94 97 LEU 95 98 PHE 96 99 PRO 97 100 ALA 98 101 VAL 99 102 ALA 100 103 MET 101 104 VAL 102 105 ARG 103 106 GLY 104 107 SER 105 108 ILE 106 109 LEU 107 110 GLY 108 111 ARG 109 112 ASP 110 113 CYS 111 114 LEU 112 115 GLN 113 116 GLY 114 117 LEU 115 118 GLY 116 119 LEU 117 120 ARG 118 121 LEU 119 122 THR 120 123 ASN 121 124 LEU 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 1MVP "Structural Studies Of The Retroviral Proteinase From Avian Myeloblastosis Associated Virus" 100.00 124 99.17 100.00 2.09e-80 PDB 2RSP "Structure Of The Aspartic Protease From Rous Sarcoma Retrovirus Refined At 2 Angstroms Resolution" 100.00 124 100.00 100.00 7.99e-81 DBJ BAA01499 "gag polyprotein [Rous sarcoma virus - Schmidt-Ruppin D]" 100.00 699 97.52 99.17 1.52e-73 DBJ BAC78442 "gag protein [Avian leukosis virus]" 100.00 701 97.52 99.17 1.65e-73 DBJ BAG16456 "gag protein [Avian leukosis virus]" 100.00 703 97.52 99.17 1.57e-73 DBJ BAK64239 "gag protein [Avian leukosis virus]" 100.00 701 97.52 99.17 1.60e-73 DBJ BAK64245 "gag [Avian leukosis virus]" 100.00 701 97.52 99.17 1.62e-73 EMBL CAA24512 "polyprotein gag [Rous sarcoma virus]" 100.00 701 100.00 100.00 1.51e-75 EMBL CAA31790 "unnamed protein product [Avian retrovirus IC10]" 55.37 567 98.51 98.51 2.42e-36 EMBL CAA32008 "unnamed protein product [Avian retrovirus IC10]" 55.37 1079 98.51 98.51 2.93e-35 EMBL CAA36153 "unnamed protein product [Rous sarcoma virus]" 100.00 701 100.00 100.00 2.18e-75 EMBL CAA48534 "gag [Rous sarcoma virus]" 100.00 701 100.00 100.00 2.18e-75 GB AAA19606 "gag protein, partial [Rous sarcoma virus]" 56.20 648 100.00 100.00 1.58e-37 GB AAA19607 "gag protein, partial [Rous sarcoma virus]" 56.20 648 100.00 100.00 1.42e-37 GB AAA46299 "gag [Avian myeloblastosis-associated virus 1/2]" 100.00 701 98.35 99.17 2.37e-74 GB AAA46302 "gag [Avian myeloblastosis-associated virus type 1]" 100.00 701 98.35 99.17 2.57e-74 GB AAA46305 "gag [Avian myeloblastosis-associated virus type 2]" 100.00 701 98.35 99.17 2.37e-74 PRF 2019512A "gag gene" 56.20 648 100.00 100.00 1.58e-37 PRF 2019512B "gag gene" 56.20 648 100.00 100.00 1.42e-37 REF NP_056886 "Pr180 polyprotein precursor [Rous sarcoma virus]" 100.00 1603 100.00 100.00 6.10e-73 REF NP_056887 "Pr76 polyprotein precursor [Rous sarcoma virus]" 100.00 701 100.00 100.00 1.51e-75 REF NP_955613 "p15 PR [Rous sarcoma virus]" 100.00 134 100.00 100.00 5.43e-81 REF YP_004222727 "gag polyprotein [Avian leukemia virus]" 100.00 701 97.52 99.17 1.30e-73 SP O92954 "RecName: Full=Gag-Pro polyprotein; Contains: RecName: Full=Matrix protein p19; Contains: RecName: Full=p2A; Contains: RecName: " 100.00 701 97.52 99.17 1.76e-73 SP O92956 "RecName: Full=Gag-Pro-Pol polyprotein; Contains: RecName: Full=Matrix protein p19; Contains: RecName: Full=p2A; Contains: RecNa" 100.00 1603 97.52 99.17 3.86e-71 SP P03322 "RecName: Full=Gag-Pro polyprotein; Contains: RecName: Full=p3; Contains: RecName: Full=Matrix protein p19; Contains: RecName: F" 100.00 701 100.00 100.00 1.51e-75 SP P03354 "RecName: Full=Gag-Pro-Pol polyprotein; Contains: RecName: Full=Matrix protein p19; Contains: RecName: Full=p2A; Contains: RecNa" 100.00 1603 100.00 100.00 6.10e-73 SP P0C776 "RecName: Full=Gag-Pro polyprotein; Contains: RecName: Full=Matrix protein p19; Contains: RecName: Full=p2A; Contains: RecName: " 100.00 701 99.17 100.00 4.64e-75 stop_ save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _ICTVdb_decimal_code _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species $RSVPR 'Rous sarcoma virus' 61.0.3 11886 . . . . 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 _Details $RSVPR 'recombinant technology' . . . . . 'refolded from inclusion bodies' stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_15N_sample _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $RSVPR 3 mg/mL [U-15N] 'Na phosphate' 20 mM . NaCl 100 mM . glycerol 1 % . urea 0.4 M . DTT 10 mM . AEBSF 0.25 mM . D2O 7 % . stop_ save_ save_13C_sample _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $RSVPR 3 mg/mL [U-13C] 'Na phosphate' 20 mM . NaCl 100 mM . glycerol 1 % . urea 0.4 M . DTT 10 mM . AEBSF 0.25 mM . D2O 7 % . stop_ save_ save_13C_sample_in_D20 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $RSVPR 3 mg/mL [U-13C] 'Na phosphate' 20 mM . NaCl 100 mM . glycerol 1 % . urea 0.4 M . DTT 10 mM . AEBSF 0.25 mM . D2O 100 % . stop_ save_ ############################ # Computer software used # ############################ save_nmrPipe _Saveframe_category software _Name nmrPipe _Version . _Details . 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_1H-15N_HSQC_1 _Saveframe_category NMR_applied_experiment _Experiment_name '1H-15N HSQC' _Sample_label . save_ save_2D_homonuclear_NOESY_2 _Saveframe_category NMR_applied_experiment _Experiment_name '2D homonuclear NOESY' _Sample_label . save_ save_2D_homonuclear_TOCSY_3 _Saveframe_category NMR_applied_experiment _Experiment_name '2D homonuclear TOCSY' _Sample_label . save_ save_15N_TOCSY_4 _Saveframe_category NMR_applied_experiment _Experiment_name '15N TOCSY' _Sample_label . save_ save_15N_NOESY_5 _Saveframe_category NMR_applied_experiment _Experiment_name '15N NOESY' _Sample_label . save_ save_1H-13C_HSQC_6 _Saveframe_category NMR_applied_experiment _Experiment_name '1H-13C HSQC' _Sample_label . save_ save_HNCA_7 _Saveframe_category NMR_applied_experiment _Experiment_name HNCA _Sample_label . save_ save_HNCACB_(optimized_for_B)_8 _Saveframe_category NMR_applied_experiment _Experiment_name 'HNCACB (optimized for B)' _Sample_label . save_ save_CCC-TOCSY_9 _Saveframe_category NMR_applied_experiment _Experiment_name CCC-TOCSY _Sample_label . save_ save_HCC-TOCSY_10 _Saveframe_category NMR_applied_experiment _Experiment_name HCC-TOCSY _Sample_label . save_ save_HNCO_11 _Saveframe_category NMR_applied_experiment _Experiment_name HNCO _Sample_label . save_ save_HCACO_12 _Saveframe_category NMR_applied_experiment _Experiment_name HCACO _Sample_label . save_ save_CBCACONH_13 _Saveframe_category NMR_applied_experiment _Experiment_name CBCACONH _Sample_label . save_ save_13C-NOESY_14 _Saveframe_category NMR_applied_experiment _Experiment_name 13C-NOESY _Sample_label . save_ save_HCCH-TOCSY_15 _Saveframe_category NMR_applied_experiment _Experiment_name HCCH-TOCSY _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 '2D homonuclear NOESY' _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_3 _Saveframe_category NMR_applied_experiment _Experiment_name '2D homonuclear TOCSY' _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_4 _Saveframe_category NMR_applied_experiment _Experiment_name '15N TOCSY' _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_5 _Saveframe_category NMR_applied_experiment _Experiment_name '15N NOESY' _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_6 _Saveframe_category NMR_applied_experiment _Experiment_name '1H-13C HSQC' _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_7 _Saveframe_category NMR_applied_experiment _Experiment_name HNCA _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_8 _Saveframe_category NMR_applied_experiment _Experiment_name 'HNCACB (optimized for B)' _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_9 _Saveframe_category NMR_applied_experiment _Experiment_name CCC-TOCSY _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_10 _Saveframe_category NMR_applied_experiment _Experiment_name HCC-TOCSY _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_11 _Saveframe_category NMR_applied_experiment _Experiment_name HNCO _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_12 _Saveframe_category NMR_applied_experiment _Experiment_name HCACO _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_13 _Saveframe_category NMR_applied_experiment _Experiment_name CBCACONH _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_14 _Saveframe_category NMR_applied_experiment _Experiment_name 13C-NOESY _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_15 _Saveframe_category NMR_applied_experiment _Experiment_name HCCH-TOCSY _BMRB_pulse_sequence_accession_number . _Details . save_ ####################### # Sample conditions # ####################### save_conditions_1 _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units pH* 6.0 0.05 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 H 1 'methyl protons' ppm 0.0 internal direct . . . . DSS N 15 'methyl protons' ppm 0.0 . indirect . . . 0.101329118 DSS C 13 'methyl protons' ppm 0.0 . indirect . . . 0.251449530 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_shift_set_1 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Sample_label $15N_sample $13C_sample $13C_sample_in_D20 stop_ _Sample_conditions_label $conditions_1 _Chem_shift_reference_set_label $chemical_shift_reference _Mol_system_component_name 'RSVPR deltaLAM' _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 MET HA H 4.45 0.02 1 2 . 2 MET HB2 H 2.18 0.02 2 3 . 2 MET HB3 H 1.88 0.02 2 4 . 2 MET HG2 H 2.51 0.02 1 5 . 2 MET HG3 H 2.51 0.02 1 6 . 2 MET C C 174.55 0.25 1 7 . 2 MET CA C 55.89 0.25 1 8 . 2 MET CB C 33.08 0.25 1 9 . 2 MET CG C 32.18 0.25 1 10 . 3 GLU H H 8.57 0.02 1 11 . 3 GLU HA H 4.19 0.02 1 12 . 3 GLU HB2 H 2.19 0.02 2 13 . 3 GLU HB3 H 1.89 0.02 2 14 . 3 GLU HG2 H 2.17 0.02 1 15 . 3 GLU HG3 H 2.17 0.02 1 16 . 3 GLU C C 174.96 0.25 1 17 . 3 GLU CA C 56.90 0.25 1 18 . 3 GLU CB C 30.58 0.25 1 19 . 3 GLU CG C 36.42 0.25 1 20 . 3 GLU N N 122.35 0.25 1 21 . 4 HIS H H 8.56 0.02 1 22 . 4 HIS HA H 4.56 0.02 1 23 . 4 HIS HB2 H 3.13 0.02 2 24 . 4 HIS HB3 H 3.06 0.02 2 25 . 4 HIS HD2 H 7.00 0.04 5 26 . 4 HIS HE1 H 7.86 0.04 5 27 . 4 HIS C C 176.23 0.25 1 28 . 4 HIS CA C 55.84 0.25 1 29 . 4 HIS CB C 29.97 0.25 1 30 . 4 HIS N N 119.86 0.02 1 31 . 5 LYS H H 8.37 0.02 1 32 . 5 LYS HA H 4.28 0.02 1 33 . 5 LYS HB2 H 1.77 0.02 2 34 . 5 LYS HB3 H 1.69 0.02 2 35 . 5 LYS HG2 H 1.34 0.02 1 36 . 5 LYS HG3 H 1.34 0.02 1 37 . 5 LYS HD2 H 1.68 0.02 1 38 . 5 LYS HD3 H 1.68 0.02 1 39 . 5 LYS HE2 H 2.94 0.02 1 40 . 5 LYS HE3 H 2.94 0.02 1 41 . 5 LYS C C 175.14 0.25 1 42 . 5 LYS CA C 56.52 0.25 1 43 . 5 LYS CB C 33.42 0.25 1 44 . 5 LYS CG C 24.87 0.25 1 45 . 5 LYS CD C 29.32 0.25 1 46 . 5 LYS CE C 42.30 0.25 1 47 . 5 LYS N N 122.58 0.25 1 48 . 6 ASP H H 8.49 0.02 1 49 . 6 ASP HA H 4.56 0.02 1 50 . 6 ASP HB2 H 2.66 0.02 2 51 . 6 ASP HB3 H 2.58 0.02 2 52 . 6 ASP C C 175.27 0.25 1 53 . 6 ASP CA C 54.27 0.25 1 54 . 6 ASP CB C 41.40 0.25 1 55 . 6 ASP N N 120.99 0.25 1 56 . 7 ARG H H 8.14 0.02 1 57 . 7 ARG HA H 4.72 0.02 1 58 . 7 ARG HB2 H 1.83 0.02 1 59 . 7 ARG HB3 H 1.83 0.02 1 60 . 7 ARG HG2 H 1.75 0.02 1 61 . 7 ARG HG3 H 1.75 0.02 1 62 . 7 ARG HD2 H 3.22 0.02 1 63 . 7 ARG HD3 H 3.22 0.02 1 64 . 7 ARG CA C 58.27 0.02 1 65 . 7 ARG CB C 31.34 0.25 1 66 . 7 ARG CG C 27.5 0.25 1 67 . 7 ARG CD C 43.95 0.25 1 68 . 7 ARG N N 121.6 0.25 1 69 . 8 PRO HA H 4.44 0.02 1 70 . 8 PRO HB2 H 2.20 0.02 2 71 . 8 PRO HB3 H 1.90 0.02 2 72 . 8 PRO HG2 H 2.04 0.02 1 73 . 8 PRO HG3 H 2.04 0.02 1 74 . 8 PRO HD2 H 3.84 0.02 1 75 . 8 PRO HD3 H 3.84 0.02 1 76 . 8 PRO C C 173.49 0.25 1 77 . 8 PRO CA C 63.08 0.25 1 78 . 8 PRO CB C 32.14 0.25 1 79 . 8 PRO CG C 27.70 0.25 1 80 . 9 LEU H H 7.97 0.02 1 81 . 9 LEU HA H 4.99 0.02 1 82 . 9 LEU HB2 H 1.56 0.02 2 83 . 9 LEU HB3 H 1.36 0.02 2 84 . 9 LEU HG H 1.04 0.02 1 85 . 9 LEU HD1 H 0.85 0.02 2 86 . 9 LEU HD2 H 0.77 0.02 2 87 . 9 LEU C C 173.49 0.25 1 88 . 9 LEU CA C 54.42 0.25 1 89 . 9 LEU CB C 44.00 0.25 1 90 . 9 LEU CG C 27.35 0.25 1 91 . 9 LEU CD1 C 25.12 0.25 2 92 . 9 LEU CD2 C 24.76 0.25 2 93 . 9 LEU N N 121.71 0.25 1 94 . 10 VAL H H 9.27 0.02 1 95 . 10 VAL HA H 4.61 0.02 1 96 . 10 VAL HB H 2.16 0.02 1 97 . 10 VAL HG1 H 0.82 0.02 2 98 . 10 VAL HG2 H 0.77 0.02 2 99 . 10 VAL C C 176.93 0.25 1 100 . 10 VAL CA C 59.72 0.25 1 101 . 10 VAL CB C 35.33 0.25 1 102 . 10 VAL CG1 C 22.56 0.25 2 103 . 10 VAL N N 119.05 0.25 1 104 . 11 ARG H H 8.51 0.02 1 105 . 11 ARG HA H 4.92 0.02 1 106 . 11 ARG HB2 H 1.75 0.02 1 107 . 11 ARG HB3 H 1.75 0.02 1 108 . 11 ARG HG2 H 1.62 0.02 1 109 . 11 ARG HG3 H 1.62 0.02 1 110 . 11 ARG HD2 H 3.08 0.02 2 111 . 11 ARG HD3 H 3.11 0.02 2 112 . 11 ARG C C 176.35 0.25 1 113 . 11 ARG CA C 55.55 0.25 1 114 . 11 ARG CB C 31.87 0.25 1 115 . 11 ARG CG C 27.82 0.25 1 116 . 11 ARG CD C 43.72 0.25 1 117 . 11 ARG N N 123.09 0.25 1 118 . 12 VAL H H 8.79 0.02 1 119 . 12 VAL HA H 4.98 0.02 1 120 . 12 VAL HB H 1.75 0.02 1 121 . 12 VAL HG1 H 0.76 0.02 2 122 . 12 VAL C C 176.90 0.25 1 123 . 12 VAL CA C 59.79 0.25 1 124 . 12 VAL CB C 36.59 0.25 1 125 . 12 VAL CG1 C 22.98 0.25 2 126 . 12 VAL N N 120.96 0.25 1 127 . 13 ILE H H 9.16 0.02 1 128 . 13 ILE HA H 4.79 0.02 1 129 . 13 ILE C C 175.88 0.25 1 130 . 13 ILE CA C 59.22 0.25 1 131 . 13 ILE CB C 40.00 0.25 9 132 . 13 ILE N N 124.01 0.25 1 133 . 14 LEU H H 9.00 0.02 1 134 . 14 LEU HA H 5.23 0.02 1 135 . 14 LEU HB2 H 1.38 0.02 2 136 . 14 LEU HB3 H 1.42 0.02 2 137 . 14 LEU C C 174.52 0.25 1 138 . 14 LEU CA C 53.11 0.25 1 139 . 14 LEU CB C 44.33 0.25 1 140 . 14 LEU N N 125.51 0.25 1 141 . 15 THR H H 9.12 0.02 1 142 . 15 THR HA H 5.40 0.02 1 143 . 15 THR HB H 3.88 0.02 1 144 . 15 THR HG2 H 0.87 0.02 1 145 . 15 THR C C 177.91 0.25 1 146 . 15 THR CA C 61.23 0.25 1 147 . 15 THR CB C 71.29 0.25 1 148 . 15 THR CG2 C 21.17 0.25 1 149 . 15 THR N N 118.19 0.25 1 150 . 16 ASN H H 8.54 0.02 1 151 . 16 ASN HA H 3.83 0.02 1 152 . 16 ASN C C 175.54 0.25 1 153 . 16 ASN CA C 53.79 0.25 1 154 . 16 ASN CB C 37.39 0.25 1 155 . 16 ASN N N 126.48 0.25 1 156 . 17 THR H H 7.42 0.02 1 157 . 17 THR HA H 4.11 0.02 1 158 . 17 THR HB H 3.69 0.02 1 159 . 17 THR HG2 H 1.23 0.02 1 160 . 17 THR C C 175.54 0.25 1 161 . 17 THR CA C 62.41 0.25 1 162 . 17 THR CB C 69.89 0.25 1 163 . 17 THR CG2 C 21.86 0.25 1 164 . 18 GLY H H 8.80 0.02 1 165 . 18 GLY HA2 H 4.07 0.02 1 166 . 18 GLY HA3 H 4.07 0.02 1 167 . 18 GLY C C 176.85 0.25 1 168 . 18 GLY CA C 45.41 0.25 1 169 . 18 GLY N N 109.48 0.25 1 170 . 19 SER H H 8.65 0.02 1 171 . 19 SER HA H 4.44 0.02 1 172 . 19 SER C C 177.53 0.25 1 173 . 19 SER CA C 56.96 0.25 1 174 . 19 SER CB C 66.41 0.25 1 175 . 19 SER N N 115.08 0.25 1 176 . 20 HIS H H 9.00 0.02 1 177 . 20 HIS HA H 4.52 0.02 1 178 . 20 HIS HB2 H 3.10 0.02 2 179 . 20 HIS HB3 H 3.05 0.02 2 180 . 20 HIS HD2 H 7.00 0.04 5 181 . 20 HIS HE1 H 7.86 0.04 5 182 . 20 HIS C C 178.09 0.25 1 183 . 20 HIS CA C 59.85 0.25 1 184 . 20 HIS CB C 30.12 0.25 1 185 . 20 HIS N N 115.8 0.25 1 186 . 21 PRO HA H 4.37 0.02 1 187 . 21 PRO HB2 H 2.22 0.02 2 188 . 21 PRO HB3 H 1.95 0.02 2 189 . 21 PRO HD2 H 3.75 0.02 1 190 . 21 PRO HD3 H 3.75 0.02 1 191 . 21 PRO C C 174.33 0.25 1 192 . 21 PRO CA C 63.72 0.25 1 193 . 21 PRO CB C 31.74 0.25 1 194 . 21 PRO CG C 28.03 0.25 1 195 . 22 VAL H H 7.84 0.02 1 196 . 22 VAL HA H 4.54 0.02 1 197 . 22 VAL HB H 2.28 0.02 1 198 . 22 VAL HG1 H 0.8 0.02 9 199 . 22 VAL C C 175.28 0.25 1 200 . 22 VAL CA C 59.43 0.25 1 201 . 22 VAL CB C 35.35 0.25 1 202 . 22 VAL N N 115.85 0.25 1 203 . 23 LYS H H 10.13 0.02 1 204 . 23 LYS HA H 3.99 0.02 1 205 . 23 LYS HB2 H 1.84 0.02 2 206 . 23 LYS HB3 H 1.92 0.02 2 207 . 23 LYS HG2 H 1.43 0.02 2 208 . 23 LYS HG3 H 1.51 0.02 2 209 . 23 LYS HD2 H 1.66 0.02 1 210 . 23 LYS HD3 H 1.66 0.02 1 211 . 23 LYS HE2 H 2.94 0.02 1 212 . 23 LYS HE3 H 2.94 0.02 1 213 . 23 LYS C C 172.93 0.25 1 214 . 23 LYS CA C 60.00 0.25 1 215 . 23 LYS CB C 32.40 0.25 1 216 . 23 LYS CG C 25.63 0.25 1 217 . 23 LYS CD C 29.15 0.25 1 218 . 23 LYS CE C 42.30 0.25 1 219 . 23 LYS N N 125.72 0.25 1 220 . 24 GLN H H 9.29 0.02 1 221 . 24 GLN HA H 4.59 0.02 1 222 . 24 GLN HB2 H 1.86 0.02 2 223 . 24 GLN C C 175.81 0.25 1 224 . 24 GLN CA C 55.15 0.25 1 225 . 24 GLN CB C 31.13 0.25 1 226 . 24 GLN N N 118.07 0.25 1 227 . 25 ARG H H 7.52 0.02 1 228 . 25 ARG HA H 4.52 0.02 1 229 . 25 ARG C C 175.06 0.25 1 230 . 25 ARG CA C 59.40 0.25 1 231 . 25 ARG N N 116.6 0.25 1 232 . 26 SER HA H 4.37 0.02 1 233 . 26 SER HB2 H 3.87 0.02 2 234 . 26 SER HB3 H 3.79 0.02 2 235 . 26 SER CA C 57.74 0.25 1 236 . 26 SER CB C 63.43 0.25 1 237 . 27 VAL H H 7.69 0.02 1 238 . 27 VAL HA H 4.87 0.02 1 239 . 27 VAL C C 174.72 0.25 1 240 . 27 VAL CA C 53.76 0.25 1 241 . 27 VAL N N 119.46 0.25 1 242 . 28 TYR HA H 5.41 0.02 1 243 . 28 TYR HB2 H 2.81 0.02 2 244 . 28 TYR HB3 H 2.77 0.02 2 245 . 28 TYR HD1 H 6.97 0.02 1 246 . 28 TYR HD2 H 6.97 0.02 1 247 . 28 TYR HE1 H 6.67 0.02 1 248 . 28 TYR HE2 H 6.67 0.02 1 249 . 28 TYR C C 174.53 0.25 1 250 . 28 TYR CA C 56.80 0.25 1 251 . 28 TYR CB C 40.22 0.25 1 252 . 29 ILE H H 9.21 0.02 1 253 . 29 ILE HA H 4.83 0.02 1 254 . 29 ILE HB H 1.99 0.02 1 255 . 29 ILE HG12 H 1.57 0.02 1 256 . 29 ILE HG13 H 1.57 0.02 1 257 . 29 ILE HG2 H 0.82 0.02 1 258 . 29 ILE HD1 H 1.18 0.02 1 259 . 29 ILE C C 176.02 0.25 1 260 . 29 ILE CA C 59.44 0.25 1 261 . 29 ILE CB C 42.40 0.25 1 262 . 29 ILE N N 116.82 0.25 1 263 . 30 THR H H 8.54 0.02 1 264 . 30 THR HA H 5.16 0.02 1 265 . 30 THR HB H 3.98 0.02 1 266 . 30 THR HG2 H 1.14 0.02 1 267 . 30 THR C C 177.82 0.25 1 268 . 30 THR CA C 61.32 0.25 1 269 . 30 THR CB C 70.73 0.25 1 270 . 30 THR CG2 C 22.80 0.25 1 271 . 30 THR N N 114.90 0.25 1 272 . 31 ALA H H 9.17 0.02 1 273 . 31 ALA HA H 4.64 0.02 1 274 . 31 ALA HB H 0.96 0.02 1 275 . 31 ALA C C 176.76 0.25 1 276 . 31 ALA CA C 50.37 0.25 1 277 . 31 ALA CB C 23.67 0.25 1 278 . 31 ALA N N 125.09 0.25 1 279 . 32 LEU H H 8.12 0.02 1 280 . 32 LEU HA H 4.88 0.02 1 281 . 32 LEU HB2 H 1.59 0.02 1 282 . 32 LEU HB3 H 1.59 0.02 1 283 . 32 LEU HG H 1.38 0.02 1 284 . 32 LEU HD1 H 0.80 0.02 2 285 . 32 LEU C C 174.73 0.25 1 286 . 32 LEU CA C 53.94 0.25 1 287 . 32 LEU CB C 44.72 0.25 1 288 . 32 LEU CG C 25.34 0.25 1 289 . 32 LEU CD1 C 27.28 0.25 2 290 . 32 LEU CD2 C 21.47 0.25 2 291 . 32 LEU N N 120.02 0.25 1 292 . 33 LEU H H 8.50 0.02 1 293 . 33 LEU HA H 4.59 0.02 1 294 . 33 LEU HB2 H 1.56 0.02 1 295 . 33 LEU HB3 H 1.56 0.02 1 296 . 33 LEU C C 175.51 0.25 1 297 . 33 LEU CA C 55.01 0.25 1 298 . 33 LEU CB C 42.36 0.25 1 299 . 33 LEU CG C 27.44 0.25 1 300 . 33 LEU CD1 C 25.7 0.25 2 301 . 33 LEU CD2 C 13.59 0.25 9 302 . 34 ASP H H 8.74 0.02 1 303 . 34 ASP HA H 4.84 0.02 1 304 . 34 ASP HB2 H 2.97 0.02 2 305 . 34 ASP HB3 H 2.09 0.02 9 306 . 34 ASP C C 175.64 0.25 1 307 . 34 ASP CA C 52.82 0.25 1 308 . 34 ASP CB C 43.36 0.25 1 309 . 34 ASP N N 124.89 0.25 1 310 . 35 SER H H 8.55 0.02 1 311 . 35 SER HA H 3.94 0.02 1 312 . 35 SER HB2 H 3.74 0.02 2 313 . 35 SER HB3 H 3.83 0.02 2 314 . 35 SER C C 176.44 0.25 1 315 . 35 SER CA C 60.23 0.25 1 316 . 35 SER CB C 63.27 0.25 1 317 . 35 SER N N 118.21 0.25 1 318 . 36 GLY H H 8.83 0.02 1 319 . 36 GLY HA2 H 4.17 0.02 2 320 . 36 GLY HA3 H 3.58 0.02 2 321 . 36 GLY C C 177.38 0.25 1 322 . 36 GLY CA C 45.26 0.25 1 323 . 36 GLY N N 108.75 0.25 1 324 . 37 ALA H H 7.45 0.02 1 325 . 37 ALA HA H 4.53 0.02 1 326 . 37 ALA HB H 1.44 0.02 1 327 . 37 ALA C C 174.25 0.25 1 328 . 37 ALA CA C 50.94 0.25 1 329 . 37 ALA CB C 19.94 0.25 1 330 . 37 ALA N N 125.15 0.25 1 331 . 38 ASP H H 8.81 0.02 1 332 . 38 ASP HA H 4.27 0.02 1 333 . 38 ASP HB2 H 2.65 0.02 2 334 . 38 ASP HB3 H 2.58 0.02 2 335 . 38 ASP C C 175.09 0.25 1 336 . 38 ASP CA C 57.72 0.25 1 337 . 38 ASP CB C 41.83 0.25 1 338 . 38 ASP N N 121.97 0.25 1 339 . 39 ILE H H 7.45 0.02 1 340 . 39 ILE HA H 4.57 0.02 1 341 . 39 ILE HB H 1.82 0.02 1 342 . 39 ILE HG12 H 1.31 0.02 1 343 . 39 ILE HG13 H 1.31 0.02 1 344 . 39 ILE HG2 H 0.83 0.02 1 345 . 39 ILE HD1 H 1.04 0.02 1 346 . 39 ILE C C 176.73 0.25 1 347 . 39 ILE CA C 58.62 0.25 1 348 . 39 ILE CB C 42.70 0.25 1 349 . 39 ILE CG1 C 26.40 0.25 1 350 . 39 ILE CG2 C 18.06 0.25 1 351 . 39 ILE N N 110.72 0.25 1 352 . 40 THR H H 8.79 0.02 1 353 . 40 THR HA H 4.45 0.02 1 354 . 40 THR HB H 4.09 0.02 1 355 . 40 THR HG2 H 1.24 0.02 1 356 . 40 THR C C 177.27 0.25 1 357 . 40 THR CA C 64.84 0.25 1 358 . 40 THR CB C 69.90 0.25 1 359 . 40 THR CG2 C 20.09 0.25 1 360 . 40 THR N N 123.20 0.25 1 361 . 41 ILE H H 8.74 0.02 1 362 . 41 ILE HA H 4.36 0.02 1 363 . 41 ILE C C 176.94 0.25 1 364 . 41 ILE CA C 60.23 0.25 1 365 . 41 ILE CB C 42.38 0.25 1 366 . 41 ILE CG1 C 36.68 0.25 9 367 . 41 ILE CG2 C 18.95 0.25 9 368 . 41 ILE N N 126.42 0.25 1 369 . 42 ILE H H 9.37 0.02 1 370 . 42 ILE HA H 4.49 0.02 1 371 . 42 ILE HB H 1.83 0.02 9 372 . 42 ILE C C 175.53 0.25 1 373 . 42 ILE CA C 56.70 0.25 1 374 . 42 ILE CB C 36.09 0.25 1 375 . 42 ILE N N 126.84 0.25 1 376 . 43 SER H H 8.90 0.02 1 377 . 43 SER HA H 4.78 0.02 1 378 . 43 SER HB2 H 3.68 0.02 2 379 . 43 SER HB3 H 4.06 0.02 2 380 . 43 SER CA C 57.85 0.25 1 381 . 43 SER CB C 64.44 0.25 1 382 . 43 SER N N 121.40 0.25 1 383 . 44 GLU H H 8.17 0.02 1 384 . 44 GLU HA H 3.84 0.02 1 385 . 44 GLU HB2 H 2.05 0.02 2 386 . 44 GLU HB3 H 1.88 0.02 2 387 . 44 GLU HG2 H 2.05 0.02 1 388 . 44 GLU HG3 H 2.05 0.02 1 389 . 44 GLU C C 172.90 0.25 1 390 . 44 GLU CA C 59.82 0.25 1 391 . 44 GLU CB C 30.10 0.25 1 392 . 44 GLU CG C 37.27 0.25 1 393 . 44 GLU N N 125.24 0.25 1 394 . 45 GLU H H 8.19 0.02 1 395 . 45 GLU HA H 4.07 0.02 1 396 . 45 GLU HB2 H 2.05 0.02 2 397 . 45 GLU HB3 H 1.92 0.02 2 398 . 45 GLU HG2 H 2.28 0.02 1 399 . 45 GLU HG3 H 2.28 0.02 1 400 . 45 GLU C C 173.54 0.25 1 401 . 45 GLU CA C 59.06 0.25 1 402 . 45 GLU CB C 30.01 0.25 1 403 . 45 GLU CG C 36.89 0.25 1 404 . 45 GLU N N 115.90 0.25 1 405 . 46 ASP H H 7.61 0.02 1 406 . 46 ASP HA H 4.56 0.02 1 407 . 46 ASP HB2 H 2.69 0.02 2 408 . 46 ASP HB3 H 2.58 0.02 2 409 . 46 ASP C C 175.85 0.25 1 410 . 46 ASP CA C 54.93 0.25 1 411 . 46 ASP CB C 43.27 0.25 1 412 . 46 ASP N N 117.7 0.25 1 413 . 47 TRP H H 7.58 0.02 1 414 . 47 TRP HA H 4.43 0.02 1 415 . 47 TRP HB2 H 3.15 0.02 1 416 . 47 TRP HB3 H 2.81 0.02 1 417 . 47 TRP HD1 H 6.94 0.02 1 418 . 47 TRP HE1 H 10.03 0.02 1 419 . 47 TRP HE3 H 7.54 0.02 1 420 . 47 TRP HZ2 H 7.19 0.02 1 421 . 47 TRP HZ3 H 6.89 0.02 1 422 . 47 TRP HH2 H 7.30 0.02 1 423 . 47 TRP C C 177.30 0.25 1 424 . 47 TRP CA C 54.47 0.25 1 425 . 47 TRP CB C 30.84 0.25 1 426 . 47 TRP N N 122.33 0.02 1 427 . 47 TRP NE1 N 129.60 0.25 1 428 . 48 PRO HA H 3.88 0.02 1 429 . 48 PRO HB2 H 1.86 0.02 1 430 . 48 PRO HB3 H 1.86 0.02 9 431 . 48 PRO C C 173.00 0.25 1 432 . 48 PRO CA C 63.12 0.25 1 433 . 48 PRO CB C 31.14 0.25 1 434 . 49 THR H H 8.09 0.02 1 435 . 49 THR HA H 3.92 0.02 1 436 . 49 THR HB H 4.25 0.02 1 437 . 49 THR HG2 H 1.35 0.02 1 438 . 49 THR C C 175.55 0.25 1 439 . 49 THR CA C 65.11 0.25 1 440 . 49 THR CB C 69.35 0.25 1 441 . 49 THR CG2 C 22.30 0.25 1 442 . 49 THR N N 112.94 0.25 1 443 . 50 ASP H H 8.24 0.02 1 444 . 50 ASP HA H 4.65 0.02 1 445 . 50 ASP HB2 H 3.12 0.02 1 446 . 50 ASP HB3 H 2.53 0.02 1 447 . 50 ASP C C 175.09 0.25 1 448 . 50 ASP CA C 52.91 0.25 1 449 . 50 ASP CB C 39.78 0.25 1 450 . 50 ASP N N 116.60 0.25 1 451 . 51 TRP H H 7.81 0.02 1 452 . 51 TRP HA H 5.23 0.02 1 453 . 51 TRP HB2 H 3.08 0.02 1 454 . 51 TRP HB3 H 2.99 0.02 1 455 . 51 TRP HD1 H 7.00 0.02 1 456 . 51 TRP HE1 H 9.69 0.02 1 457 . 51 TRP HE3 H 5.93 0.02 1 458 . 51 TRP HZ2 H 7.29 0.02 1 459 . 51 TRP HZ3 H 6.37 0.02 1 460 . 51 TRP HH2 H 6.92 0.02 1 461 . 51 TRP C C 174.72 0.25 1 462 . 51 TRP CA C 53.84 0.25 1 463 . 51 TRP CB C 27.27 0.25 1 464 . 51 TRP N N 123.27 0.25 1 465 . 51 TRP NE1 N 126.83 0.25 1 466 . 52 PRO HA H 4.63 0.02 1 467 . 52 PRO HB2 H 1.74 0.02 1 468 . 52 PRO HB3 H 1.74 0.02 1 469 . 52 PRO C C 173.61 0.25 1 470 . 52 PRO CA C 63.74 0.25 1 471 . 52 PRO CB C 32.97 0.25 1 472 . 53 VAL H H 8.76 0.02 1 473 . 53 VAL HA H 5.02 0.02 1 474 . 53 VAL HB H 1.84 0.02 1 475 . 53 VAL HG1 H 0.67 0.02 2 476 . 53 VAL HG2 H 0.78 0.02 2 477 . 53 VAL C C 176.12 0.25 1 478 . 53 VAL CA C 59.66 0.25 1 479 . 53 VAL CB C 36.16 0.25 1 480 . 53 VAL CG1 C 22.10 0.25 2 481 . 53 VAL CG2 C 18.84 0.25 2 482 . 53 VAL N N 114.91 0.25 1 483 . 54 MET H H 9.16 0.02 1 484 . 54 MET HA H 4.72 0.02 1 485 . 54 MET HB2 H 2.01 0.02 2 486 . 54 MET HB3 H 1.90 0.02 2 487 . 54 MET HG2 H 2.34 0.02 1 488 . 54 MET HG3 H 2.34 0.02 1 489 . 54 MET C C 176.20 0.25 1 490 . 54 MET CA C 54.12 0.25 1 491 . 54 MET CB C 35.62 0.25 1 492 . 54 MET CG C 31.01 0.25 1 493 . 54 MET N N 119.26 0.25 1 494 . 55 GLU H H 8.61 0.02 1 495 . 55 GLU HA H 4.25 0.02 1 496 . 55 GLU HB2 H 1.97 0.02 1 497 . 55 GLU HB3 H 1.87 0.02 1 498 . 55 GLU HG2 H 2.28 0.02 1 499 . 55 GLU HG3 H 2.28 0.02 1 500 . 55 GLU C C 175.11 0.25 1 501 . 55 GLU CA C 57.16 0.25 1 502 . 55 GLU CB C 30.35 0.25 1 503 . 55 GLU CG C 36.59 0.25 1 504 . 55 GLU N N 120.70 0.25 1 505 . 56 ALA H H 8.46 0.02 1 506 . 56 ALA HA H 4.31 0.02 1 507 . 56 ALA HB H 1.21 0.02 1 508 . 56 ALA C C 174.59 0.25 1 509 . 56 ALA CA C 51.87 0.25 1 510 . 56 ALA CB C 20.33 0.25 1 511 . 56 ALA N N 125.13 0.25 1 512 . 57 ALA H H 8.33 0.02 1 513 . 57 ALA HA H 4.24 0.02 1 514 . 57 ALA HB H 1.31 0.02 1 515 . 57 ALA C C 174.02 0.25 1 516 . 57 ALA CA C 52.53 0.25 1 517 . 57 ALA CB C 19.64 0.25 1 518 . 57 ALA N N 123.23 0.25 1 519 . 58 ASN H H 8.43 0.02 1 520 . 58 ASN HA H 4.91 0.02 1 521 . 58 ASN HB2 H 2.81 0.02 2 522 . 58 ASN HB3 H 2.65 0.02 2 523 . 58 ASN C C 177.35 0.25 1 524 . 58 ASN CA C 51.50 0.25 1 525 . 58 ASN CB C 39.26 0.25 1 526 . 58 ASN N N 117.75 0.25 1 527 . 59 PRO HA H 4.36 0.02 1 528 . 59 PRO HB2 H 2.22 0.02 2 529 . 59 PRO HB3 H 1.92 0.02 2 530 . 59 PRO HG2 H 1.97 0.02 2 531 . 59 PRO HG3 H 1.95 0.02 2 532 . 59 PRO HD2 H 3.75 0.02 1 533 . 59 PRO HD3 H 3.75 0.02 1 534 . 59 PRO C C 174.23 0.25 1 535 . 59 PRO CA C 63.84 0.25 1 536 . 59 PRO CB C 32.36 0.25 1 537 . 59 PRO CG C 27.38 0.25 1 538 . 59 PRO CD C 50.88 0.25 1 539 . 60 GLN H H 8.32 0.02 1 540 . 60 GLN HA H 4.24 0.02 1 541 . 60 GLN HB2 H 2.30 0.02 9 542 . 60 GLN HB3 H 1.95 0.02 2 543 . 60 GLN HG2 H 2.30 0.02 1 544 . 60 GLN HG3 H 2.30 0.02 1 545 . 60 GLN C C 175.01 0.25 1 546 . 60 GLN CA C 56.32 0.25 1 547 . 60 GLN CB C 29.31 0.25 1 548 . 60 GLN CG C 34.21 0.25 1 549 . 61 ILE H H 7.87 0.02 1 550 . 61 ILE HA H 4.06 0.02 1 551 . 61 ILE HB H 1.74 0.02 1 552 . 61 ILE HG12 H 1.26 0.02 1 553 . 61 ILE HG13 H 1.26 0.02 1 554 . 61 ILE HG2 H 0.73 0.02 1 555 . 61 ILE HD1 H 1.04 0.02 1 556 . 61 ILE C C 175.22 0.25 1 557 . 61 ILE CA C 61.32 0.25 1 558 . 61 ILE CB C 38.77 0.25 1 559 . 61 ILE CG1 C 27.6 0.25 1 560 . 61 ILE CG2 C 17.63 0.25 1 561 . 61 ILE CD1 C 12.05 0.25 1 562 . 61 ILE N N 119.84 0.25 1 563 . 62 HIS H H 8.46 0.02 1 564 . 62 HIS HA H 4.63 0.02 1 565 . 62 HIS HB2 H 3.22 0.02 1 566 . 62 HIS HB3 H 3.08 0.02 1 567 . 62 HIS HD2 H 7.00 0.04 5 568 . 62 HIS HE1 H 7.86 0.04 5 569 . 62 HIS C C 175.80 0.25 1 570 . 62 HIS CA C 56.06 0.25 1 571 . 62 HIS CB C 29.82 0.25 1 572 . 63 GLY H H 8.32 0.02 1 573 . 63 GLY HA2 H 3.99 0.02 2 574 . 63 GLY HA3 H 3.87 0.02 2 575 . 63 GLY C C 176.91 0.25 1 576 . 63 GLY CA C 45.47 0.25 1 577 . 63 GLY N N 109.24 0.25 1 578 . 64 ILE H H 8.10 0.02 1 579 . 64 ILE HA H 4.16 0.02 1 580 . 64 ILE HB H 1.84 0.02 1 581 . 64 ILE HG12 H 1.45 0.02 1 582 . 64 ILE HG13 H 1.45 0.02 1 583 . 64 ILE HG2 H 0.87 0.02 1 584 . 64 ILE HD1 H 1.14 0.02 1 585 . 64 ILE C C 174.14 0.25 1 586 . 64 ILE CA C 61.68 0.25 1 587 . 64 ILE CB C 38.90 0.25 1 588 . 64 ILE CG1 C 27.48 0.25 1 589 . 64 ILE CG2 C 17.72 0.25 1 590 . 64 ILE CD1 C 13.60 0.25 1 591 . 64 ILE N N 119.62 0.25 1 592 . 65 GLY H H 8.59 0.02 1 593 . 65 GLY HA2 H 3.89 0.02 1 594 . 65 GLY HA3 H 3.89 0.02 1 595 . 65 GLY C C 176.35 0.25 1 596 . 65 GLY CA C 45.57 0.25 1 597 . 65 GLY N N 112.26 0.25 1 598 . 66 GLY H H 8.25 0.02 1 599 . 66 GLY HA2 H 3.89 0.02 1 600 . 66 GLY HA3 H 3.67 0.02 1 601 . 66 GLY C C 176.35 0.25 1 602 . 66 GLY CA C 45.57 0.25 1 603 . 66 GLY N N 107.86 0.25 1 604 . 67 GLY H H 8.26 0.02 1 605 . 67 GLY HA2 H 3.89 0.02 1 606 . 67 GLY HA3 H 3.89 0.02 1 607 . 67 GLY C C 177.36 0.25 1 608 . 67 GLY CA C 45.80 0.25 1 609 . 67 GLY N N 108.13 0.25 1 610 . 68 ILE H H 7.78 0.02 1 611 . 68 ILE HA H 4.47 0.02 1 612 . 68 ILE HB H 1.82 0.02 1 613 . 68 ILE HG12 H 1.43 0.02 1 614 . 68 ILE HG13 H 1.43 0.02 1 615 . 68 ILE HG2 H 0.88 0.02 1 616 . 68 ILE HD1 H 1.08 0.02 1 617 . 68 ILE C C 176.95 0.25 1 618 . 68 ILE CA C 58.86 0.25 1 619 . 68 ILE CB C 39.12 0.25 1 620 . 68 ILE CG1 C 27.16 0.25 1 621 . 68 ILE CG2 C 17.68 0.25 1 622 . 68 ILE N N 119.99 0.25 1 623 . 69 PRO HA H 4.36 0.02 1 624 . 69 PRO HB2 H 2.21 0.02 2 625 . 69 PRO HB3 H 1.83 0.02 2 626 . 69 PRO HG2 H 1.92 0.02 1 627 . 69 PRO HG3 H 1.92 0.02 1 628 . 69 PRO HD2 H 3.87 0.02 1 629 . 69 PRO HD3 H 3.87 0.02 1 630 . 69 PRO C C 174.88 0.25 1 631 . 69 PRO CA C 63.36 0.25 1 632 . 69 PRO CB C 32.33 0.25 1 633 . 69 PRO CG C 27.85 0.02 1 634 . 69 PRO CD C 51.11 0.02 1 635 . 70 MET H H 8.46 0.02 1 636 . 70 MET HA H 4.72 0.02 1 637 . 70 MET HB2 H 1.75 0.02 2 638 . 70 MET HB3 H 1.90 0.02 2 639 . 70 MET HG2 H 2.39 0.02 2 640 . 70 MET HG3 H 2.45 0.02 2 641 . 70 MET C C 176.96 0.25 1 642 . 70 MET CA C 55.15 0.25 1 643 . 70 MET CB C 35.89 0.25 1 644 . 70 MET CG C 32.15 0.25 1 645 . 70 MET N N 120.12 0.25 1 646 . 71 ARG H H 8.42 0.02 1 647 . 71 ARG HA H 4.67 0.02 1 648 . 71 ARG HB2 H 1.62 0.02 2 649 . 71 ARG HB3 H 1.66 0.02 2 650 . 71 ARG HG2 H 1.90 0.02 1 651 . 71 ARG HG3 H 1.90 0.02 1 652 . 71 ARG HD2 H 2.99 0.02 1 653 . 71 ARG HD3 H 2.99 0.02 1 654 . 71 ARG C C 176.15 0.25 1 655 . 71 ARG CA C 55.45 0.25 1 656 . 71 ARG CB C 33.03 0.25 1 657 . 71 ARG CG C 27.9 0.25 1 658 . 71 ARG N N 121.58 0.25 1 659 . 72 LYS H H 8.57 0.02 1 660 . 72 LYS HA H 4.84 0.02 1 661 . 72 LYS HB2 H 1.55 0.02 2 662 . 72 LYS HB3 H 1.50 0.02 2 663 . 72 LYS HG2 H 1.26 0.02 1 664 . 72 LYS HG3 H 1.26 0.02 1 665 . 72 LYS HD2 H 1.54 0.02 1 666 . 72 LYS HD3 H 1.54 0.02 1 667 . 72 LYS HE2 H 2.85 0.02 2 668 . 72 LYS HE3 H 2.68 0.02 2 669 . 72 LYS C C 175.47 0.25 1 670 . 72 LYS CA C 54.84 0.25 1 671 . 72 LYS CB C 36.33 0.25 1 672 . 72 LYS CG C 24.60 0.25 1 673 . 72 LYS CD C 29.57 0.25 1 674 . 72 LYS CE C 42.80 0.25 1 675 . 72 LYS N N 118.68 0.25 1 676 . 73 SER H H 8.19 0.02 1 677 . 73 SER HA H 4.20 0.02 1 678 . 73 SER HB2 H 3.93 0.02 1 679 . 73 SER HB3 H 3.93 0.02 1 680 . 73 SER C C 176.78 0.25 1 681 . 73 SER CA C 59.84 0.25 1 682 . 73 SER CB C 65.00 0.25 1 683 . 73 SER N N 114.90 0.25 1 684 . 74 ARG H H 8.58 0.02 1 685 . 74 ARG HA H 4.22 0.02 1 686 . 74 ARG HB2 H 1.90 0.02 1 687 . 74 ARG HB3 H 1.90 0.02 1 688 . 74 ARG HG2 H 1.66 0.02 1 689 . 74 ARG HG3 H 1.66 0.02 1 690 . 74 ARG HD2 H 2.95 0.02 1 691 . 74 ARG HD3 H 2.95 0.02 1 692 . 74 ARG C C 174.54 0.25 1 693 . 74 ARG CA C 58.24 0.25 1 694 . 74 ARG CB C 32.12 0.25 1 695 . 74 ARG CG C 29.67 0.25 9 696 . 74 ARG CD C 43.74 0.25 1 697 . 74 ARG N N 124.53 0.25 1 698 . 75 ASP H H 8.03 0.02 1 699 . 75 ASP HA H 5.03 0.02 1 700 . 75 ASP HB2 H 2.57 0.02 9 701 . 75 ASP C C 175.53 0.25 1 702 . 75 ASP CA C 53.33 0.25 1 703 . 75 ASP CB C 42.65 0.25 1 704 . 75 ASP N N 114.71 0.25 1 705 . 76 MET H H 8.80 0.02 1 706 . 76 MET HA H 4.43 0.02 1 707 . 76 MET HB2 H 1.97 0.02 2 708 . 76 MET HB3 H 2.03 0.02 2 709 . 76 MET HG2 H 2.51 0.02 1 710 . 76 MET HG3 H 2.51 0.02 1 711 . 76 MET C C 175.99 0.25 1 712 . 76 MET CA C 57.08 0.25 1 713 . 76 MET CB C 32.73 0.25 1 714 . 76 MET CG C 32.47 0.02 1 715 . 76 MET N N 122.26 0.25 1 716 . 77 ILE H H 8.99 0.02 1 717 . 77 ILE HA H 4.66 0.02 1 718 . 77 ILE C C 176.75 0.25 1 719 . 77 ILE CA C 56.8 0.25 1 720 . 77 ILE CB C 38.70 0.25 1 721 . 77 ILE N N 131.19 0.25 1 722 . 78 GLU H H 9.13 0.02 1 723 . 78 GLU HA H 4.97 0.02 1 724 . 78 GLU HB2 H 1.88 0.02 2 725 . 78 GLU HB3 H 1.66 0.02 9 726 . 78 GLU C C 176.04 0.25 1 727 . 78 GLU CA C 54.94 0.25 1 728 . 78 GLU CB C 31.92 0.25 1 729 . 78 GLU N N 125.53 0.25 1 730 . 79 LEU H H 9.70 0.02 1 731 . 79 LEU HA H 5.24 0.02 1 732 . 79 LEU HB2 H 1.56 0.02 2 733 . 79 LEU HB3 H 1.38 0.02 2 734 . 79 LEU HG H 1.54 0.02 1 735 . 79 LEU HD1 H 0.86 0.02 2 736 . 79 LEU HD2 H 0.74 0.02 2 737 . 79 LEU C C 175.46 0.25 1 738 . 79 LEU CA C 55.40 0.25 1 739 . 79 LEU CB C 45.37 0.25 1 740 . 79 LEU CG C 27.34 0.25 1 741 . 79 LEU CD1 C 25.63 0.25 2 742 . 79 LEU CD2 C 24.08 0.25 2 743 . 79 LEU N N 132.24 0.25 1 744 . 80 GLY H H 9.40 0.02 1 745 . 80 GLY HA2 H 4.25 0.02 2 746 . 80 GLY HA3 H 3.42 0.02 2 747 . 80 GLY C C 179.29 0.25 1 748 . 80 GLY CA C 44.92 0.25 1 749 . 80 GLY N N 113.92 0.25 1 750 . 81 VAL H H 8.57 0.02 1 751 . 81 VAL HA H 4.13 0.02 1 752 . 81 VAL HB H 1.75 0.02 1 753 . 81 VAL HG1 H 0.78 0.02 1 754 . 81 VAL HG2 H 0.78 0.02 1 755 . 81 VAL C C 176.50 0.25 1 756 . 81 VAL CA C 63.30 0.25 1 757 . 81 VAL CB C 32.97 0.25 1 758 . 81 VAL CG1 C 21.72 0.25 2 759 . 81 VAL CG2 C 22.94 0.25 2 760 . 81 VAL N N 125.01 0.25 1 761 . 82 ILE H H 8.45 0.02 1 762 . 82 ILE HA H 4.39 0.02 1 763 . 82 ILE C C 174.78 0.25 1 764 . 82 ILE CA C 60.37 0.25 1 765 . 82 ILE CB C 38.43 0.25 1 766 . 82 ILE N N 127.79 0.25 1 767 . 83 ASN H H 8.99 0.02 1 768 . 83 ASN HA H 4.74 0.02 1 769 . 83 ASN HB2 H 3.06 0.02 2 770 . 83 ASN HB3 H 2.97 0.02 2 771 . 83 ASN C C 173.16 0.25 1 772 . 83 ASN CA C 53.46 0.25 1 773 . 83 ASN CB C 40.04 0.25 1 774 . 83 ASN N N 124.51 0.25 1 775 . 84 ARG H H 8.89 0.02 1 776 . 84 ARG HA H 4.09 0.02 1 777 . 84 ARG HB2 H 1.87 0.02 4 778 . 84 ARG HB3 H 1.87 0.02 4 779 . 84 ARG HG2 H 1.71 0.02 4 780 . 84 ARG HG3 H 1.71 0.02 4 781 . 84 ARG HD2 H 3.21 0.02 1 782 . 84 ARG HD3 H 3.21 0.02 1 783 . 84 ARG C C 174.17 0.25 1 784 . 84 ARG CA C 59.35 0.25 1 785 . 84 ARG CB C 29.98 0.25 1 786 . 84 ARG CG C 30.00 0.25 1 787 . 84 ARG CD C 43.59 0.25 1 788 . 84 ARG N N 120.29 .025 1 789 . 85 ASP H H 7.99 0.02 1 790 . 85 ASP HA H 4.54 0.02 1 791 . 85 ASP HB2 H 2.96 0.02 2 792 . 85 ASP HB3 H 2.61 0.02 2 793 . 85 ASP C C 174.08 0.25 1 794 . 85 ASP CA C 53.78 0.25 1 795 . 85 ASP CB C 40.41 0.25 1 796 . 85 ASP N N 115.67 0.25 1 797 . 86 GLY H H 8.23 0.02 1 798 . 86 GLY HA2 H 3.46 0.02 1 799 . 86 GLY HA3 H 3.46 0.02 1 800 . 86 GLY C C 176.98 0.25 1 801 . 86 GLY CA C 45.29 0.25 1 802 . 86 GLY N N 108.41 0.02 1 803 . 87 SER H H 8.13 0.02 1 804 . 87 SER HA H 4.35 0.02 1 805 . 87 SER HB2 H 3.82 0.02 1 806 . 87 SER HB3 H 3.82 0.02 1 807 . 87 SER C C 178.71 0.25 1 808 . 87 SER CA C 58.55 0.25 1 809 . 87 SER CB C 64.71 0.25 1 810 . 87 SER N N 116.30 0.25 1 811 . 88 LEU H H 8.33 0.02 1 812 . 88 LEU HA H 4.82 0.02 1 813 . 88 LEU HB2 H 1.67 0.02 2 814 . 88 LEU HB3 H 1.47 0.02 2 815 . 88 LEU HD2 H 0.78 0.02 2 816 . 88 LEU C C 176.83 0.25 1 817 . 88 LEU CA C 54.74 0.25 1 818 . 88 LEU CB C 43.80 0.25 1 819 . 88 LEU N N 121.05 0.25 1 820 . 91 PRO HA H 4.23 0.02 9 821 . 91 PRO C C 174.75 0.25 1 822 . 91 PRO CA C 63.32 0.25 1 823 . 91 PRO CB C 33.34 0.25 1 824 . 92 LEU H H 8.55 0.02 1 825 . 92 LEU HA H 4.69 0.02 1 826 . 92 LEU HB2 H 1.72 0.02 2 827 . 92 LEU HB3 H 1.58 0.02 2 828 . 92 LEU HD1 H 0.97 0.02 2 829 . 92 LEU C C 175.92 0.25 1 830 . 92 LEU CA C 53.60 0.25 1 831 . 92 LEU CB C 45.35 0.25 1 832 . 92 LEU CG C 27.4 0.25 1 833 . 92 LEU CD1 C 25.95 0.25 2 834 . 92 LEU CD2 C 20.0 0.25 9 835 . 92 LEU N N 121.47 0.25 1 836 . 93 LEU H H 8.23 0.02 1 837 . 93 LEU HA H 5.22 0.02 1 838 . 93 LEU HB2 H 1.63 0.02 1 839 . 93 LEU HB3 H 1.63 0.02 1 840 . 93 LEU HD1 H 0.83 0.02 1 841 . 93 LEU C C 174.59 0.25 1 842 . 93 LEU CA C 54.03 0.25 1 843 . 93 LEU CB C 43.06 0.25 1 844 . 93 LEU N N 122.80 0.25 1 845 . 94 LEU H H 9.02 0.02 1 846 . 94 LEU HA H 4.64 0.02 1 847 . 94 LEU HB2 H 1.62 0.02 2 848 . 94 LEU HB3 H 1.67 0.02 2 849 . 94 LEU HG H 1.40 0.02 1 850 . 94 LEU HD1 H 0.92 0.02 1 851 . 94 LEU HD2 H 0.82 0.02 1 852 . 94 LEU C C 176.97 0.25 1 853 . 94 LEU CA C 54.87 0.25 1 854 . 94 LEU CB C 45.96 0.25 1 855 . 94 LEU N N 122.45 0.25 1 856 . 95 PHE H H 8.73 0.02 1 857 . 95 PHE HA H 5.11 0.02 1 858 . 95 PHE HB2 H 3.07 0.02 2 859 . 95 PHE HB3 H 2.90 0.02 2 860 . 95 PHE HD1 H 7.17 0.02 1 861 . 95 PHE HD2 H 7.17 0.02 1 862 . 95 PHE HE1 H 7.26 0.02 1 863 . 95 PHE HE2 H 7.26 0.02 1 864 . 95 PHE HZ H 7.37 0.02 1 865 . 95 PHE C C 174.70 0.25 9 866 . 95 PHE CA C 66.77 0.25 1 867 . 95 PHE CB C 38.71 0.25 1 868 . 95 PHE N N 119.16 0.25 1 869 . 96 PRO HA H 4.58 0.02 1 870 . 96 PRO C C 176.54 0.25 1 871 . 96 PRO CA C 62.88 0.25 1 872 . 96 PRO CB C 32.61 0.25 1 873 . 96 PRO CG C 27.39 0.25 1 874 . 97 ALA H H 7.36 0.02 1 875 . 97 ALA HA H 4.82 0.02 1 876 . 97 ALA HB H 1.40 0.02 1 877 . 97 ALA C C 175.48 0.25 1 878 . 97 ALA CA C 51.21 0.25 1 879 . 97 ALA CB C 21.08 0.25 1 880 . 97 ALA N N 120.57 0.25 1 881 . 98 VAL H H 8.02 0.02 1 882 . 98 VAL HA H 4.93 0.02 1 883 . 98 VAL HG1 H 0.99 0.02 2 884 . 98 VAL C C 174.80 0.25 1 885 . 98 VAL CA C 61.06 0.25 1 886 . 98 VAL CB C 34.93 0.25 1 887 . 98 VAL N N 119.52 0.25 1 888 . 99 ALA H H 8.12 0.02 1 889 . 99 ALA HA H 4.77 0.02 1 890 . 99 ALA HB H 1.29 0.02 1 891 . 99 ALA C C 174.88 0.25 1 892 . 99 ALA CA C 50.99 0.25 1 893 . 99 ALA CB C 24.34 0.25 1 894 . 99 ALA N N 125.52 0.25 1 895 . 100 MET H H 8.96 0.02 1 896 . 100 MET HA H 4.70 0.02 1 897 . 100 MET HB2 H 2.26 0.02 2 898 . 100 MET HB3 H 1.91 0.02 2 899 . 100 MET HG2 H 2.49 0.02 1 900 . 100 MET HG3 H 2.49 0.02 1 901 . 100 MET C C 176.64 0.25 1 902 . 100 MET CA C 55.52 0.25 1 903 . 100 MET CB C 30.63 0.25 1 904 . 100 MET CG C 32.64 0.25 1 905 . 100 MET N N 123.61 0.25 1 906 . 101 VAL H H 7.47 0.02 1 907 . 101 VAL HA H 4.54 0.02 1 908 . 101 VAL HB H 2.27 0.02 1 909 . 101 VAL HG1 H 0.82 0.02 2 910 . 101 VAL HG2 H 0.68 0.02 2 911 . 101 VAL C C 175.46 0.25 1 912 . 101 VAL CA C 59.36 0.02 1 913 . 101 VAL CB C 34.81 0.25 1 914 . 101 VAL CG1 C 22.62 0.25 2 915 . 101 VAL CG2 C 18.38 0.25 2 916 . 101 VAL N N 117.28 0.25 1 917 . 102 ARG H H 8.66 0.02 1 918 . 102 ARG HA H 4.20 0.02 1 919 . 102 ARG HB2 H 1.84 0.02 1 920 . 102 ARG HB3 H 1.84 0.02 1 921 . 102 ARG HG2 H 1.66 0.02 1 922 . 102 ARG HG3 H 1.66 0.02 1 923 . 102 ARG HD2 H 3.18 0.02 1 924 . 102 ARG HD3 H 3.18 0.02 1 925 . 102 ARG C C 174.81 0.25 1 926 . 102 ARG CA C 57.35 0.25 1 927 . 102 ARG CB C 29.72 0.25 1 928 . 102 ARG CG C 27.45 0.25 1 929 . 102 ARG CD C 43.37 0.25 1 930 . 102 ARG N N 121.89 0.25 1 931 . 103 GLY H H 7.80 0.02 1 932 . 103 GLY HA2 H 4.08 0.02 1 933 . 103 GLY HA3 H 4.08 0.02 1 934 . 103 GLY C C 178.56 0.25 1 935 . 103 GLY CA C 44.88 0.25 1 936 . 103 GLY N N 109.53 0.25 1 937 . 104 SER H H 8.92 0.02 1 938 . 104 SER HA H 3.84 0.02 1 939 . 104 SER C C 177.46 0.25 1 940 . 104 SER CA C 61.28 0.25 1 941 . 104 SER CB C 63.98 0.25 1 942 . 104 SER N N 119.54 0.25 1 943 . 105 ILE H H 9.41 0.02 1 944 . 105 ILE HA H 4.78 0.02 1 945 . 105 ILE HB H 1.67 0.02 1 946 . 105 ILE HG12 H 1.47 0.02 1 947 . 105 ILE HG13 H 1.47 0.02 1 948 . 105 ILE HD1 H 0.79 0.02 1 949 . 105 ILE C C 176.71 0.25 1 950 . 105 ILE CA C 60.24 0.25 1 951 . 105 ILE CB C 43.51 0.25 1 952 . 105 ILE CG2 C 18.30 0.25 1 953 . 105 ILE CD1 C 14.33 0.25 1 954 . 105 ILE N N 123.53 0.25 1 955 . 106 LEU H H 9.15 0.02 1 956 . 106 LEU HA H 4.59 0.02 1 957 . 106 LEU HB2 H 1.58 0.02 1 958 . 106 LEU HB3 H 1.58 0.02 1 959 . 106 LEU C C 175.67 0.25 1 960 . 106 LEU CA C 54.09 0.25 1 961 . 106 LEU CB C 42.42 0.25 1 962 . 106 LEU N N 125.27 0.25 1 963 . 107 GLY H H 8.06 0.02 1 964 . 107 GLY HA2 H 3.89 0.02 2 965 . 107 GLY HA3 H 3.92 0.02 2 966 . 107 GLY C C 175.53 0.25 1 967 . 107 GLY CA C 43.54 0.25 1 968 . 107 GLY N N 109.25 0.02 1 969 . 108 ARG H H 8.96 0.02 1 970 . 108 ARG HA H 3.74 0.02 1 971 . 108 ARG HB2 H 1.90 0.02 1 972 . 108 ARG HB3 H 1.90 0.02 1 973 . 108 ARG HG2 H 1.92 0.02 1 974 . 108 ARG HG3 H 1.92 0.02 1 975 . 108 ARG HD2 H 3.22 0.02 1 976 . 108 ARG HD3 H 3.22 0.02 1 977 . 108 ARG C C 174.00 0.25 1 978 . 108 ARG CA C 60.24 0.25 1 979 . 108 ARG CB C 31.14 0.25 1 980 . 108 ARG CG C 28.76 0.25 1 981 . 108 ARG CD C 43.26 0.25 1 982 . 108 ARG N N 117.38 0.25 1 983 . 109 ASP H H 8.07 0.02 1 984 . 109 ASP HA H 4.22 0.02 1 985 . 109 ASP HB2 H 2.78 0.02 2 986 . 109 ASP HB3 H 2.95 0.02 2 987 . 109 ASP C C 172.99 0.25 1 988 . 109 ASP CA C 56.53 0.25 1 989 . 109 ASP CB C 38.11 0.25 1 990 . 109 ASP N N 117.94 0.25 1 991 . 110 CYS H H 8.29 0.02 1 992 . 110 CYS HA H 4.45 0.02 1 993 . 110 CYS HB2 H 2.62 0.02 2 994 . 110 CYS HB3 H 2.78 0.02 2 995 . 110 CYS C C 175.19 0.25 1 996 . 110 CYS CA C 60.92 0.25 1 997 . 110 CYS CB C 28.12 0.25 1 998 . 110 CYS N N 119.76 0.25 1 999 . 111 LEU H H 8.14 0.02 1 1000 . 111 LEU HA H 3.99 0.02 1 1001 . 111 LEU HB2 H 1.62 0.02 2 1002 . 111 LEU HB3 H 1.52 0.02 1 1003 . 111 LEU HG H 1.43 0.02 1 1004 . 111 LEU HD1 H 0.69 0.02 2 1005 . 111 LEU HD2 H 0.73 0.02 2 1006 . 111 LEU C C 172.12 0.25 1 1007 . 111 LEU CA C 58.07 0.25 1 1008 . 111 LEU CB C 42.23 0.25 1 1009 . 111 LEU CG C 25.40 0.25 1 1010 . 111 LEU CD1 C 27.21 0.25 2 1011 . 111 LEU CD2 C 23.78 0.25 2 1012 . 111 LEU N N 118.61 0.25 1 1013 . 112 GLN H H 8.48 0.02 1 1014 . 112 GLN HA H 4.19 0.02 1 1015 . 112 GLN HB2 H 2.11 0.02 2 1016 . 112 GLN HB3 H 2.13 0.02 2 1017 . 112 GLN HG2 H 2.40 0.02 1 1018 . 112 GLN HG3 H 2.40 0.02 1 1019 . 112 GLN C C 172.83 0.25 1 1020 . 112 GLN CA C 58.23 0.25 1 1021 . 112 GLN CB C 28.65 0.25 1 1022 . 112 GLN CG C 34.30 0.25 1 1023 . 112 GLN N N 116.57 0.25 1 1024 . 113 GLY H H 7.99 0.02 1 1025 . 113 GLY HA2 H 4.05 0.02 2 1026 . 113 GLY HA3 H 3.79 0.02 2 1027 . 113 GLY C C 176.21 0.25 1 1028 . 113 GLY CA C 46.47 0.25 1 1029 . 113 GLY N N 107.45 0.25 1 1030 . 114 LEU H H 7.79 0.02 1 1031 . 114 LEU HA H 4.38 0.02 1 1032 . 114 LEU HB2 H 1.79 0.02 1 1033 . 114 LEU HB3 H 1.79 0.02 1 1034 . 114 LEU C C 173.25 0.25 1 1035 . 114 LEU CA C 55.44 0.25 1 1036 . 114 LEU CB C 43.39 0.25 1 1037 . 114 LEU N N 119.18 0.25 1 1038 . 115 GLY H H 8.10 0.02 1 1039 . 115 GLY HA2 H 3.89 0.02 1 1040 . 115 GLY HA3 H 3.89 0.02 1 1041 . 115 GLY C C 176.27 0.25 1 1042 . 115 GLY CA C 46.49 0.25 1 1043 . 115 GLY N N 107.73 0.25 1 1044 . 116 LEU H H 7.92 0.02 1 1045 . 116 LEU HA H 4.25 0.02 1 1046 . 116 LEU HB2 H 1.58 0.02 1 1047 . 116 LEU HB3 H 1.58 0.02 1 1048 . 116 LEU HG H 1.50 0.02 1 1049 . 116 LEU C C 173.99 0.25 1 1050 . 116 LEU CA C 55.38 0.25 1 1051 . 116 LEU CB C 42.68 0.25 1 1052 . 116 LEU CG C 27.19 0.25 1 1053 . 116 LEU CD1 C 25.50 0.25 2 1054 . 116 LEU CD2 C 23.75 0.25 2 1055 . 116 LEU N N 120.05 0.25 1 1056 . 117 ARG H H 8.37 0.02 1 1057 . 117 ARG HA H 4.32 0.02 1 1058 . 117 ARG HB2 H 1.83 0.02 2 1059 . 117 ARG HB3 H 1.89 0.02 2 1060 . 117 ARG HG2 H 1.63 0.02 1 1061 . 117 ARG HG3 H 1.63 0.02 1 1062 . 117 ARG HD2 H 3.17 0.02 1 1063 . 117 ARG HD3 H 3.17 0.02 1 1064 . 117 ARG C C 174.67 0.25 1 1065 . 117 ARG CA C 56.10 0.25 1 1066 . 117 ARG CB C 31.72 0.25 1 1067 . 117 ARG CG C 27.40 0.25 1 1068 . 117 ARG CD C 43.45 0.25 1 1069 . 117 ARG N N 120.85 0.25 1 1070 . 118 LEU H H 8.27 0.02 1 1071 . 118 LEU HA H 4.28 0.02 1 1072 . 118 LEU HB2 H 1.61 0.02 1 1073 . 118 LEU HB3 H 1.61 0.02 1 1074 . 118 LEU HG H 1.66 0.02 1 1075 . 118 LEU HD1 H 0.89 0.02 2 1076 . 118 LEU HD2 H 0.83 0.02 2 1077 . 118 LEU C C 173.56 0.25 1 1078 . 118 LEU CA C 56.00 0.25 1 1079 . 118 LEU CB C 42.38 0.25 1 1080 . 118 LEU CG C 27.43 0.25 1 1081 . 118 LEU CD1 C 25.63 0.25 2 1082 . 118 LEU CD2 C 23.75 0.25 2 1083 . 118 LEU N N 122.03 0.25 1 1084 . 119 THR H H 7.84 0.02 1 1085 . 119 THR HA H 4.27 0.02 1 1086 . 119 THR HB H 4.27 0.02 1 1087 . 119 THR HG2 H 1.17 0.02 1 1088 . 119 THR C C 176.96 0.25 1 1089 . 119 THR CA C 62.32 0.25 1 1090 . 119 THR CB C 69.84 0.25 1 1091 . 119 THR CG2 C 21.92 0.25 1 1092 . 119 THR N N 110.87 0.25 1 1093 . 120 ASN H H 8.29 0.02 1 1094 . 120 ASN HA H 4.73 0.02 1 1095 . 120 ASN HB2 H 2.86 0.02 2 1096 . 120 ASN HB3 H 2.69 0.02 2 1097 . 120 ASN HD21 H 6.85 0.02 2 1098 . 120 ASN HD22 H 7.58 0.02 2 1099 . 120 ASN C C 177.11 0.25 1 1100 . 120 ASN CA C 53.49 0.02 1 1101 . 120 ASN CB C 39.24 0.02 1 1102 . 120 ASN N N 119.88 0.02 1 1103 . 120 ASN ND2 N 120.07 0.25 1 1104 . 121 LEU H H 7.64 0.02 1 1105 . 121 LEU HA H 4.14 0.02 1 1106 . 121 LEU HB2 H 1.56 0.02 1 1107 . 121 LEU HB3 H 1.56 0.02 1 1108 . 121 LEU HG H 1.59 0.02 1 1109 . 121 LEU HD1 H 0.84 0.02 2 1110 . 121 LEU C C 174.60 0.25 1 1111 . 121 LEU CA C 57.12 0.25 1 1112 . 121 LEU CB C 43.57 0.25 1 1113 . 121 LEU CG C 27.58 0.25 1 1114 . 121 LEU CD1 C 24.05 0.25 2 1115 . 121 LEU N N 126.51 0.25 1 stop_ save_