data_4919 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Thioredoxin fold as a Homodimerization Module in the Putative Chaperone ERp29: NMR Structures of the Domains and Experimental Model of the 51 kDa Dimer ; _BMRB_accession_number 4919 _BMRB_flat_file_name bmr4919.str _Entry_type original _Submission_date 2000-12-13 _Accession_date 2000-12-13 _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 Liepinsh Edvards . . 2 Baryshev Michail . . 3 Sharipo Anatoly . . 4 Ingelman-Sundberg Magnus . . 5 Otting Gottfried . . 6 Mkrtchian Souren . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 776 "13C chemical shifts" 251 "15N chemical shifts" 129 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2001-08-08 original author . stop_ _Original_release_date 2001-08-08 save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title ; Thioredoxin fold as a Homodimerization Module in the Putative Chaperone ERp29. NMR Structures of the Domains and Experimental Model of the 51 kDa Dimer ; _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code 21345414 _PubMed_ID 11435111 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Liepinsh Edvards . . 2 Baryshev Michail . . 3 Sharipo Anatoly . . 4 Ingelman-Sundberg Magnus . . 5 Otting Gottfried . . 6 Mkrtchian Souren . . stop_ _Journal_abbreviation Structure _Journal_volume 9 _Journal_issue 6 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 457 _Page_last 471 _Year 2001 _Details . loop_ _Keyword 'Nuclear magnetic resonance spectroscopy' 'protein structure' stop_ save_ ################################## # Molecular system description # ################################## save_system_ERp29 _Saveframe_category molecular_system _Mol_system_name 'ERp29 N-domain' _Abbreviation_common ERp29 _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label 'ERp29 N-domain' $ERp29 stop_ _System_molecular_weight . _System_physical_state native _System_oligomer_state monomer _System_paramagnetic no _System_thiol_state 'all free' _Database_query_date . _Details . save_ ######################## # Monomeric polymers # ######################## save_ERp29 _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common 'Endoplasmic reticulum protein p29' _Abbreviation_common ERp29 _Molecular_mass 15506 _Mol_thiol_state 'all free' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 137 _Mol_residue_sequence ; MRGSHHHHHHGSLHTKGALP LDTVTFYKVIPKSKFVLVKF DTQYPYGEKQDEFKRLAENS ASSDDLLVAEVGISDYGDKL NMELSEKYKLDKESYPVFYL FRDGDFENPVPYSGAVKVGA IQRWLKGQGVYLGMPGC ; loop_ _Residue_seq_code _Residue_label 1 MET 2 ARG 3 GLY 4 SER 5 HIS 6 HIS 7 HIS 8 HIS 9 HIS 10 HIS 11 GLY 12 SER 13 LEU 14 HIS 15 THR 16 LYS 17 GLY 18 ALA 19 LEU 20 PRO 21 LEU 22 ASP 23 THR 24 VAL 25 THR 26 PHE 27 TYR 28 LYS 29 VAL 30 ILE 31 PRO 32 LYS 33 SER 34 LYS 35 PHE 36 VAL 37 LEU 38 VAL 39 LYS 40 PHE 41 ASP 42 THR 43 GLN 44 TYR 45 PRO 46 TYR 47 GLY 48 GLU 49 LYS 50 GLN 51 ASP 52 GLU 53 PHE 54 LYS 55 ARG 56 LEU 57 ALA 58 GLU 59 ASN 60 SER 61 ALA 62 SER 63 SER 64 ASP 65 ASP 66 LEU 67 LEU 68 VAL 69 ALA 70 GLU 71 VAL 72 GLY 73 ILE 74 SER 75 ASP 76 TYR 77 GLY 78 ASP 79 LYS 80 LEU 81 ASN 82 MET 83 GLU 84 LEU 85 SER 86 GLU 87 LYS 88 TYR 89 LYS 90 LEU 91 ASP 92 LYS 93 GLU 94 SER 95 TYR 96 PRO 97 VAL 98 PHE 99 TYR 100 LEU 101 PHE 102 ARG 103 ASP 104 GLY 105 ASP 106 PHE 107 GLU 108 ASN 109 PRO 110 VAL 111 PRO 112 TYR 113 SER 114 GLY 115 ALA 116 VAL 117 LYS 118 VAL 119 GLY 120 ALA 121 ILE 122 GLN 123 ARG 124 TRP 125 LEU 126 LYS 127 GLY 128 GLN 129 GLY 130 VAL 131 TYR 132 LEU 133 GLY 134 MET 135 PRO 136 GLY 137 CYS stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2015-01-28 loop_ _Database_name _Database_accession_code _Database_entry_mol_name _Sequence_query_to_submitted_percentage _Sequence_subject_length _Sequence_identity _Sequence_positive _Sequence_homology_expectation_value PDB 1G7E "Nmr Structure Of N-Domain Of Erp29 Protein" 88.32 122 100.00 100.00 3.52e-81 PDB 2QC7 "Crystal Structure Of The Protein-disulfide Isomerase Related Chaperone Erp29" 91.24 240 98.40 100.00 3.47e-84 EMBL CAA64397 "ERp28 [Homo sapiens]" 94.89 261 97.69 98.46 3.84e-85 EMBL CAA71313 "ERp29 precursor [Rattus norvegicus]" 94.89 260 96.92 96.92 7.85e-86 EMBL CAG46468 "C12orf8 [Homo sapiens]" 94.89 261 97.69 98.46 3.84e-85 GB AAC15239 "endoplasmic reticulum protein ERp29 precursor [Rattus norvegicus]" 94.89 260 96.92 96.92 7.85e-86 GB AAF93170 "endoplasmic reticulum protein 29 precursor [Rattus norvegicus]" 94.89 260 96.92 96.92 7.85e-86 GB AAH91129 "Endoplasmic reticulum protein 29 [Rattus norvegicus]" 94.89 260 96.92 96.92 7.85e-86 GB AAI01494 "Endoplasmic reticulum protein 29, isoform 1 precursor [Homo sapiens]" 94.89 261 97.69 98.46 3.84e-85 GB AAI01496 "Endoplasmic reticulum protein 29 [Homo sapiens]" 94.89 261 97.69 98.46 3.84e-85 REF NP_001182664 "endoplasmic reticulum protein 29 precursor [Macaca mulatta]" 94.89 261 96.92 97.69 4.79e-84 REF NP_006808 "endoplasmic reticulum resident protein 29 isoform 1 precursor [Homo sapiens]" 94.89 261 97.69 98.46 3.84e-85 REF NP_446413 "endoplasmic reticulum resident protein 29 precursor [Rattus norvegicus]" 94.89 260 96.92 96.92 7.85e-86 REF XP_001139225 "PREDICTED: endoplasmic reticulum resident protein 29 isoform X1 [Pan troglodytes]" 94.89 261 97.69 98.46 3.33e-85 REF XP_002806003 "PREDICTED: endoplasmic reticulum resident protein 29-like, partial [Macaca mulatta]" 81.02 215 98.20 99.10 7.14e-73 SP P30040 "RecName: Full=Endoplasmic reticulum resident protein 29; Short=ERp29; AltName: Full=Endoplasmic reticulum resident protein 28; " 94.89 261 97.69 98.46 3.84e-85 SP P52555 "RecName: Full=Endoplasmic reticulum resident protein 29; Short=ERp29; AltName: Full=Endoplasmic reticulum resident protein 31; " 94.89 260 96.92 96.92 7.85e-86 stop_ save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species _Organ _Fraction $ERp29 'Norway rat' 10116 Eukaryota Metazoa Rattus norvegicus liver 'endoplasmic reticulum' stop_ save_ ######################### # Experimental source # ######################### save_experimental_source _Saveframe_category experimental_source loop_ _Mol_label _Production_method _Host_organism_name_common _Genus _Species _Strain _Vector_type _Vector_name $ERp29 'recombinant technology' E.coli Escherichia coli JM109 plasmid pQE30 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $ERp29 0.3 mM '[U-15N; U-13C]' stop_ save_ save_sample_2 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $ERp29 0.3 mM . stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model DRX _Field_strength 600 _Details . save_ save_NMR_spectrometer_2 _Saveframe_category NMR_spectrometer _Manufacturer Varian _Model UnityPlus _Field_strength 800 _Details . save_ ############################# # NMR applied experiments # ############################# save_2D_1H-1H_NOESY_1 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-1H NOESY' _Sample_label . save_ save_2D_1H-1H_COSY_2 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-1H COSY' _Sample_label . save_ save_2D_1H-1H_CLEAN_TOCSY_3 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-1H CLEAN TOCSY' _Sample_label . save_ save_2D_1H-15N_HSQC_4 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N HSQC' _Sample_label . save_ save_3D_1H-1H-15N_NOESY_5 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-1H-15N NOESY' _Sample_label . save_ save_3D_HNCA_6 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCA' _Sample_label . save_ save_3D_HN(CO)CA_7 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HN(CO)CA' _Sample_label . save_ save_3D_HNCO_8 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCO' _Sample_label . save_ save_NMR_spec_expt__0_1 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-1H NOESY' _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_2 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-1H COSY' _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_3 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-1H CLEAN TOCSY' _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_4 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N HSQC' _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_5 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-1H-15N NOESY' _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_6 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCA' _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_7 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HN(CO)CA' _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_8 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCO' _BMRB_pulse_sequence_accession_number . _Details . save_ ####################### # Sample conditions # ####################### save_Ex-cond_1 _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units pH 4.9 0.1 n/a temperature 308 1 K 'ionic strength' 0.15 .02 M 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 . . . 1.0 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 $sample_1 stop_ _Sample_conditions_label $Ex-cond_1 _Chem_shift_reference_set_label $chemical_shift_reference _Mol_system_component_name 'ERp29 N-domain' _Text_data_format . _Text_data . loop_ _Atom_shift_assign_ID _Residue_author_seq_code _Residue_seq_code _Residue_label _Atom_name _Atom_type _Chem_shift_value _Chem_shift_value_error _Chem_shift_ambiguity_code 1 . 1 MET HA H 4.047 0.02 1 2 . 1 MET HB2 H 2.141 0.02 2 3 . 1 MET HB3 H 2.182 0.02 2 4 . 1 MET HG2 H 2.395 0.02 2 5 . 1 MET HG3 H 2.489 0.02 2 6 . 1 MET HE H 2.014 0.02 1 7 . 2 ARG CA C 56.400 0.1 1 8 . 2 ARG HA H 4.393 0.02 1 9 . 2 ARG HB2 H 1.797 0.02 2 10 . 2 ARG HB3 H 1.871 0.02 2 11 . 2 ARG HG2 H 1.685 0.02 1 12 . 2 ARG HG3 H 1.685 0.02 1 13 . 2 ARG HD2 H 3.210 0.02 1 14 . 2 ARG HD3 H 3.210 0.02 1 15 . 2 ARG HE H 7.223 0.02 1 16 . 2 ARG C C 176.200 0.1 1 17 . 3 GLY N N 111.000 0.1 1 18 . 3 GLY H H 8.549 0.02 1 19 . 3 GLY CA C 45.000 0.1 1 20 . 3 GLY HA2 H 3.985 0.02 1 21 . 3 GLY HA3 H 3.985 0.02 1 22 . 3 GLY C C 173.900 0.1 1 23 . 4 SER N N 115.163 0.1 1 24 . 4 SER H H 8.140 0.02 1 25 . 4 SER CA C 57.795 0.1 1 26 . 4 SER HA H 4.367 0.02 1 27 . 4 SER HB2 H 3.721 0.02 2 28 . 4 SER HB3 H 3.754 0.02 2 29 . 10 HIS C C 176.500 0.1 1 30 . 11 GLY N N 114.806 0.1 1 31 . 11 GLY H H 7.890 0.02 1 32 . 11 GLY CA C 44.962 0.1 1 33 . 11 GLY HA2 H 3.928 0.02 2 34 . 11 GLY HA3 H 4.556 0.02 2 35 . 11 GLY C C 173.300 0.1 1 36 . 12 SER N N 119.500 0.1 1 37 . 12 SER H H 8.378 0.02 1 38 . 12 SER CA C 56.800 0.1 1 39 . 12 SER HA H 4.101 0.02 1 40 . 12 SER HB2 H 3.852 0.02 2 41 . 12 SER HB3 H 3.882 0.02 2 42 . 12 SER C C 176.700 0.1 1 43 . 13 LEU N N 117.004 0.1 1 44 . 13 LEU H H 9.019 0.02 1 45 . 13 LEU CA C 54.295 0.1 1 46 . 13 LEU HA H 4.423 0.02 1 47 . 13 LEU HB2 H 1.684 0.02 2 48 . 13 LEU HB3 H 1.602 0.02 2 49 . 13 LEU HG H 1.630 0.02 1 50 . 13 LEU HD1 H 0.862 0.02 1 51 . 13 LEU HD2 H 0.907 0.02 1 52 . 13 LEU C C 179.200 0.1 1 53 . 14 HIS N N 117.666 0.1 1 54 . 14 HIS H H 8.175 0.02 1 55 . 14 HIS CA C 54.905 0.1 1 56 . 14 HIS HA H 4.820 0.02 1 57 . 14 HIS HB2 H 3.232 0.02 1 58 . 14 HIS HB3 H 3.352 0.02 1 59 . 14 HIS HD1 H 7.344 0.02 1 60 . 14 HIS HE1 H 8.503 0.02 1 61 . 14 HIS C C 173.800 0.1 1 62 . 15 THR N N 124.638 0.1 1 63 . 15 THR H H 9.248 0.02 1 64 . 15 THR CA C 62.217 0.1 1 65 . 15 THR HA H 4.144 0.02 1 66 . 15 THR HB H 4.011 0.02 1 67 . 15 THR HG2 H 0.995 0.02 1 68 . 15 THR C C 173.500 0.1 1 69 . 16 LYS N N 130.219 0.1 1 70 . 16 LYS H H 8.518 0.02 1 71 . 16 LYS CA C 57.447 0.1 1 72 . 16 LYS HA H 4.191 0.02 1 73 . 16 LYS HB2 H 1.418 0.02 2 74 . 16 LYS HB3 H 1.734 0.02 2 75 . 16 LYS HG2 H 1.216 0.02 2 76 . 16 LYS HG3 H 1.350 0.02 2 77 . 16 LYS HD2 H 1.666 0.02 1 78 . 16 LYS HD3 H 1.666 0.02 1 79 . 16 LYS HE2 H 2.990 0.02 1 80 . 16 LYS HE3 H 2.990 0.02 1 81 . 16 LYS C C 178.000 0.1 1 82 . 17 GLY N N 114.603 0.1 1 83 . 17 GLY H H 10.416 0.02 1 84 . 17 GLY CA C 44.518 0.1 1 85 . 17 GLY HA2 H 3.336 0.02 2 86 . 17 GLY HA3 H 4.136 0.02 2 87 . 17 GLY C C 171.800 0.1 1 88 . 18 ALA N N 121.011 0.1 1 89 . 18 ALA H H 8.138 0.02 1 90 . 18 ALA CA C 48.497 0.1 1 91 . 18 ALA HA H 4.903 0.02 1 92 . 18 ALA HB H 1.079 0.02 1 93 . 18 ALA C C 176.600 0.1 1 94 . 19 LEU N N 125.023 0.1 1 95 . 19 LEU H H 9.111 0.02 1 96 . 19 LEU CA C 51.874 0.1 1 97 . 19 LEU HA H 4.879 0.02 1 98 . 19 LEU HB2 H 1.534 0.02 2 99 . 19 LEU HB3 H 1.678 0.02 2 100 . 19 LEU HG H 1.622 0.02 1 101 . 19 LEU HD1 H 0.773 0.02 2 102 . 19 LEU HD2 H 0.893 0.02 2 103 . 20 PRO CA C 61.500 0.1 1 104 . 20 PRO HA H 4.353 0.02 1 105 . 20 PRO HB2 H 1.849 0.02 2 106 . 20 PRO HB3 H 2.307 0.02 2 107 . 20 PRO HG2 H 1.969 0.02 2 108 . 20 PRO HG3 H 2.057 0.02 2 109 . 20 PRO HD2 H 3.626 0.02 2 110 . 20 PRO HD3 H 3.838 0.02 2 111 . 20 PRO C C 176.700 0.1 1 112 . 21 LEU N N 123.979 0.1 1 113 . 21 LEU H H 8.487 0.02 1 114 . 21 LEU CA C 53.108 0.1 1 115 . 21 LEU HA H 4.654 0.02 1 116 . 21 LEU HB2 H 1.210 0.02 2 117 . 21 LEU HB3 H 1.252 0.02 2 118 . 21 LEU HG H 1.801 0.02 1 119 . 21 LEU HD1 H 0.551 0.02 1 120 . 21 LEU HD2 H 0.632 0.02 1 121 . 21 LEU C C 175.400 0.1 1 122 . 22 ASP N N 118.785 0.1 1 123 . 22 ASP H H 7.979 0.02 1 124 . 22 ASP CA C 52.141 0.1 1 125 . 22 ASP HA H 5.335 0.02 1 126 . 22 ASP HB2 H 2.750 0.02 1 127 . 22 ASP HB3 H 3.498 0.02 1 128 . 22 ASP C C 176.500 0.1 1 129 . 23 THR N N 107.516 0.1 1 130 . 23 THR H H 7.740 0.02 1 131 . 23 THR CA C 65.524 0.1 1 132 . 23 THR HA H 3.851 0.02 1 133 . 23 THR HB H 4.480 0.02 1 134 . 23 THR HG2 H 1.475 0.02 1 135 . 23 THR C C 175.000 0.1 1 136 . 24 VAL N N 119.675 0.1 1 137 . 24 VAL H H 8.926 0.02 1 138 . 24 VAL CA C 64.785 0.1 1 139 . 24 VAL HA H 4.282 0.02 1 140 . 24 VAL HB H 2.338 0.02 1 141 . 24 VAL HG1 H 0.986 0.02 2 142 . 24 VAL HG2 H 1.014 0.02 2 143 . 24 VAL C C 179.600 0.1 1 144 . 25 THR N N 112.028 0.1 1 145 . 25 THR H H 9.297 0.02 1 146 . 25 THR CA C 65.207 0.1 1 147 . 25 THR HA H 3.764 0.02 1 148 . 25 THR HB H 4.267 0.02 1 149 . 25 THR HG2 H 1.224 0.02 1 150 . 25 THR HG1 H 6.746 0.02 1 151 . 25 THR C C 177.400 0.1 1 152 . 26 PHE N N 123.979 0.1 1 153 . 26 PHE H H 9.596 0.02 1 154 . 26 PHE CA C 62.458 0.1 1 155 . 26 PHE HA H 3.913 0.02 1 156 . 26 PHE HB2 H 2.486 0.02 1 157 . 26 PHE HB3 H 3.051 0.02 1 158 . 26 PHE HD1 H 5.905 0.02 1 159 . 26 PHE HD2 H 5.905 0.02 1 160 . 26 PHE HE1 H 6.833 0.02 1 161 . 26 PHE HE2 H 6.833 0.02 1 162 . 26 PHE HZ H 7.239 0.02 1 163 . 26 PHE C C 175.500 0.1 1 164 . 27 TYR N N 111.276 0.1 1 165 . 27 TYR H H 6.470 0.02 1 166 . 27 TYR CA C 59.849 0.1 1 167 . 27 TYR HA H 4.224 0.02 1 168 . 27 TYR HB2 H 2.783 0.02 2 169 . 27 TYR HB3 H 3.204 0.02 2 170 . 27 TYR HD1 H 6.822 0.02 1 171 . 27 TYR HD2 H 6.822 0.02 1 172 . 27 TYR HE1 H 6.564 0.02 1 173 . 27 TYR HE2 H 6.564 0.02 1 174 . 27 TYR C C 176.400 0.1 1 175 . 28 LYS N N 115.065 0.1 1 176 . 28 LYS H H 7.174 0.02 1 177 . 28 LYS CA C 57.500 0.1 1 178 . 28 LYS HA H 4.461 0.02 1 179 . 28 LYS HB2 H 1.851 0.02 1 180 . 28 LYS HB3 H 1.982 0.02 1 181 . 28 LYS HG2 H 1.516 0.02 1 182 . 28 LYS HG3 H 1.516 0.02 1 183 . 28 LYS HD2 H 1.792 0.02 1 184 . 28 LYS HD3 H 1.792 0.02 1 185 . 28 LYS HE2 H 3.072 0.02 1 186 . 28 LYS HE3 H 3.072 0.02 1 187 . 28 LYS C C 178.300 0.1 1 188 . 29 VAL N N 115.897 0.1 1 189 . 29 VAL H H 7.957 0.02 1 190 . 29 VAL CA C 65.007 0.1 1 191 . 29 VAL HA H 3.675 0.02 1 192 . 29 VAL HB H 1.724 0.02 1 193 . 29 VAL HG1 H 0.593 0.02 2 194 . 29 VAL HG2 H 0.862 0.02 2 195 . 29 VAL C C 176.200 0.1 1 196 . 30 ILE N N 120.662 0.1 1 197 . 30 ILE H H 6.860 0.02 1 198 . 30 ILE CA C 65.749 0.1 1 199 . 30 ILE HA H 3.554 0.02 1 200 . 30 ILE HB H 1.483 0.02 1 201 . 30 ILE HG2 H -0.029 0.02 1 202 . 30 ILE HG12 H 0.293 0.02 2 203 . 30 ILE HG13 H 0.395 0.02 2 204 . 30 ILE HD1 H -0.564 0.02 1 205 . 31 PRO CA C 64.400 0.1 1 206 . 31 PRO HA H 4.660 0.02 1 207 . 31 PRO HB2 H 1.736 0.02 2 208 . 31 PRO HB3 H 1.918 0.02 2 209 . 31 PRO HG2 H 2.312 0.02 2 210 . 31 PRO HG3 H 2.518 0.02 2 211 . 31 PRO HD2 H 3.084 0.02 2 212 . 31 PRO HD3 H 3.432 0.02 2 213 . 31 PRO C C 177.000 0.1 1 214 . 32 LYS N N 113.905 0.1 1 215 . 32 LYS H H 7.393 0.02 1 216 . 32 LYS CA C 55.387 0.1 1 217 . 32 LYS HA H 4.280 0.02 1 218 . 32 LYS HB2 H 1.699 0.02 2 219 . 32 LYS HB3 H 2.152 0.02 2 220 . 32 LYS HG2 H 1.495 0.02 1 221 . 32 LYS HG3 H 1.495 0.02 1 222 . 32 LYS C C 175.200 0.1 1 223 . 33 SER N N 111.258 0.1 1 224 . 33 SER H H 7.012 0.02 1 225 . 33 SER CA C 55.826 0.1 1 226 . 33 SER HA H 4.575 0.02 1 227 . 33 SER HB2 H 3.207 0.02 1 228 . 33 SER HB3 H 3.386 0.02 1 229 . 33 SER C C 173.500 0.1 1 230 . 34 LYS N N 128.681 0.1 1 231 . 34 LYS H H 8.751 0.02 1 232 . 34 LYS CA C 59.931 0.1 1 233 . 34 LYS HA H 3.791 0.02 1 234 . 34 LYS HB2 H 1.669 0.02 1 235 . 34 LYS HB3 H 1.801 0.02 1 236 . 34 LYS HG2 H 0.710 0.02 4 237 . 34 LYS HG3 H 1.126 0.02 4 238 . 34 LYS HD2 H 1.559 0.02 4 239 . 34 LYS HD3 H 1.559 0.02 4 240 . 34 LYS HE2 H 2.746 0.02 2 241 . 34 LYS HE3 H 2.921 0.02 2 242 . 34 LYS C C 175.900 0.1 1 243 . 35 PHE N N 110.512 0.1 1 244 . 35 PHE H H 7.603 0.02 1 245 . 35 PHE CA C 55.675 0.1 1 246 . 35 PHE HA H 5.745 0.02 1 247 . 35 PHE HB2 H 2.787 0.02 1 248 . 35 PHE HB3 H 3.059 0.02 1 249 . 35 PHE HD1 H 7.130 0.02 1 250 . 35 PHE HD2 H 7.130 0.02 1 251 . 35 PHE HE1 H 7.220 0.02 1 252 . 35 PHE HE2 H 7.220 0.02 1 253 . 35 PHE C C 177.100 0.1 1 254 . 36 VAL N N 122.743 0.1 1 255 . 36 VAL H H 9.127 0.02 1 256 . 36 VAL CA C 60.734 0.1 1 257 . 36 VAL HA H 5.110 0.02 1 258 . 36 VAL HB H 1.919 0.02 1 259 . 36 VAL HG1 H 0.597 0.02 1 260 . 36 VAL HG2 H 0.902 0.02 1 261 . 36 VAL C C 174.800 0.1 1 262 . 37 LEU N N 130.955 0.1 1 263 . 37 LEU H H 9.067 0.02 1 264 . 37 LEU CA C 53.213 0.1 1 265 . 37 LEU HA H 5.365 0.02 1 266 . 37 LEU HB2 H 1.363 0.02 2 267 . 37 LEU HB3 H 1.438 0.02 2 268 . 37 LEU HG H 1.801 0.02 1 269 . 37 LEU HD1 H 1.088 0.02 1 270 . 37 LEU HD2 H 1.231 0.02 1 271 . 37 LEU C C 173.700 0.1 1 272 . 38 VAL N N 127.959 0.1 1 273 . 38 VAL H H 9.805 0.02 1 274 . 38 VAL CA C 60.822 0.1 1 275 . 38 VAL HA H 4.362 0.02 1 276 . 38 VAL HB H 2.013 0.02 1 277 . 38 VAL HG1 H -0.080 0.02 1 278 . 38 VAL HG2 H 0.776 0.02 1 279 . 38 VAL C C 173.900 0.1 1 280 . 39 LYS N N 126.588 0.1 1 281 . 39 LYS H H 8.252 0.02 1 282 . 39 LYS CA C 53.835 0.1 1 283 . 39 LYS HA H 4.477 0.02 1 284 . 39 LYS HB2 H 1.439 0.02 2 285 . 39 LYS HB3 H 1.600 0.02 2 286 . 39 LYS C C 175.300 0.1 1 287 . 40 PHE N N 129.656 0.1 1 288 . 40 PHE H H 9.344 0.02 1 289 . 40 PHE CA C 56.487 0.1 1 290 . 40 PHE HA H 4.908 0.02 1 291 . 40 PHE HB2 H 2.414 0.02 1 292 . 40 PHE HB3 H 2.752 0.02 1 293 . 40 PHE HD1 H 6.841 0.02 1 294 . 40 PHE HD2 H 6.841 0.02 1 295 . 40 PHE C C 174.100 0.1 1 296 . 41 ASP N N 123.273 0.1 1 297 . 41 ASP H H 8.385 0.02 1 298 . 41 ASP CA C 51.092 0.1 1 299 . 41 ASP HA H 4.260 0.02 1 300 . 41 ASP HB3 H 2.632 0.02 1 301 . 41 ASP HB2 H 2.939 0.02 1 302 . 41 ASP C C 174.200 0.1 1 303 . 42 THR N N 110.830 0.1 1 304 . 42 THR H H 8.789 0.02 1 305 . 42 THR CA C 60.766 0.1 1 306 . 42 THR HA H 4.538 0.02 1 307 . 42 THR HB H 4.439 0.02 1 308 . 42 THR HG2 H 1.188 0.02 1 309 . 42 THR C C 173.800 0.1 1 310 . 43 GLN N N 119.522 0.1 1 311 . 43 GLN H H 7.626 0.02 1 312 . 43 GLN CA C 58.103 0.1 1 313 . 43 GLN HA H 3.606 0.02 1 314 . 43 GLN HB2 H 1.532 0.02 1 315 . 43 GLN HB3 H 1.764 0.02 1 316 . 43 GLN HG2 H 1.574 0.02 2 317 . 43 GLN HG3 H 1.841 0.02 2 318 . 43 GLN NE2 N 110.900 0.1 1 319 . 43 GLN HE21 H 6.734 0.02 1 320 . 43 GLN HE22 H 7.242 0.02 1 321 . 43 GLN C C 175.300 0.1 1 322 . 44 TYR N N 115.981 0.1 1 323 . 44 TYR H H 8.133 0.02 1 324 . 44 TYR CA C 54.401 0.1 1 325 . 44 TYR HA H 4.919 0.02 1 326 . 44 TYR HB2 H 2.836 0.02 2 327 . 44 TYR HB3 H 2.986 0.02 2 328 . 44 TYR HD1 H 7.049 0.02 1 329 . 44 TYR HD2 H 7.049 0.02 1 330 . 44 TYR HE1 H 6.718 0.02 1 331 . 44 TYR HE2 H 6.718 0.02 1 332 . 45 PRO CA C 62.800 0.1 1 333 . 45 PRO HA H 4.578 0.02 1 334 . 45 PRO HB2 H 1.496 0.02 2 335 . 45 PRO HB3 H 1.629 0.02 2 336 . 45 PRO HG2 H 1.571 0.02 1 337 . 45 PRO HG3 H 1.571 0.02 1 338 . 45 PRO HD2 H 3.379 0.02 1 339 . 45 PRO HD3 H 3.379 0.02 1 340 . 45 PRO C C 176.500 0.1 1 341 . 46 TYR N N 116.643 0.1 1 342 . 46 TYR H H 8.162 0.02 1 343 . 46 TYR CA C 56.769 0.1 1 344 . 46 TYR HA H 4.422 0.02 1 345 . 46 TYR HB2 H 2.968 0.02 1 346 . 46 TYR HB3 H 2.968 0.02 1 347 . 46 TYR HD1 H 7.058 0.02 1 348 . 46 TYR HD2 H 7.058 0.02 1 349 . 46 TYR HE1 H 6.816 0.02 1 350 . 46 TYR HE2 H 6.816 0.02 1 351 . 46 TYR C C 174.800 0.1 1 352 . 47 GLY N N 111.053 0.1 1 353 . 47 GLY H H 8.641 0.02 1 354 . 47 GLY CA C 43.927 0.1 1 355 . 47 GLY HA2 H 3.801 0.02 2 356 . 47 GLY HA3 H 4.512 0.02 2 357 . 47 GLY C C 174.900 0.1 1 358 . 48 GLU N N 120.190 0.1 1 359 . 48 GLU H H 8.658 0.02 1 360 . 48 GLU CA C 59.581 0.1 1 361 . 48 GLU HA H 4.156 0.02 1 362 . 48 GLU HB2 H 2.169 0.02 1 363 . 48 GLU HB3 H 2.169 0.02 1 364 . 48 GLU HG2 H 2.445 0.02 2 365 . 48 GLU HG3 H 2.499 0.02 2 366 . 48 GLU C C 178.900 0.1 1 367 . 49 LYS N N 118.853 0.1 1 368 . 49 LYS H H 8.647 0.02 1 369 . 49 LYS CA C 58.806 0.1 1 370 . 49 LYS HA H 4.074 0.02 1 371 . 49 LYS C C 179.500 0.1 1 372 . 50 GLN N N 120.900 0.1 1 373 . 50 GLN H H 7.372 0.02 1 374 . 50 GLN CA C 56.800 0.1 1 375 . 50 GLN HA H 4.448 0.02 1 376 . 50 GLN HB2 H 1.872 0.02 1 377 . 50 GLN HB3 H 2.074 0.02 1 378 . 50 GLN HG2 H 2.153 0.02 2 379 . 50 GLN HG3 H 2.362 0.02 2 380 . 50 GLN NE2 N 109.700 0.1 1 381 . 50 GLN HE21 H 7.067 0.02 1 382 . 50 GLN HE22 H 7.181 0.02 1 383 . 50 GLN C C 178.100 0.1 1 384 . 51 ASP N N 121.672 0.1 1 385 . 51 ASP H H 8.137 0.02 1 386 . 51 ASP CA C 57.370 0.1 1 387 . 51 ASP HA H 4.441 0.02 1 388 . 51 ASP HB2 H 2.737 0.02 1 389 . 51 ASP HB3 H 2.934 0.02 1 390 . 51 ASP C C 179.500 0.1 1 391 . 52 GLU N N 119.000 0.1 1 392 . 52 GLU H H 7.902 0.02 1 393 . 52 GLU CA C 58.700 0.1 1 394 . 52 GLU HA H 4.060 0.02 1 395 . 52 GLU HB3 H 1.800 0.02 2 396 . 52 GLU HB2 H 1.880 0.02 2 397 . 52 GLU HG2 H 2.684 0.02 2 398 . 52 GLU HG3 H 2.826 0.02 2 399 . 52 GLU C C 178.200 0.1 1 400 . 53 PHE N N 119.500 0.1 1 401 . 53 PHE H H 7.928 0.02 1 402 . 53 PHE CA C 61.400 0.1 1 403 . 53 PHE HA H 4.459 0.02 1 404 . 53 PHE HB2 H 3.248 0.02 2 405 . 53 PHE HB3 H 3.289 0.02 2 406 . 53 PHE HD1 H 7.176 0.02 1 407 . 53 PHE HD2 H 7.176 0.02 1 408 . 53 PHE HE1 H 6.918 0.02 1 409 . 53 PHE HE2 H 6.918 0.02 1 410 . 53 PHE HZ H 7.075 0.02 1 411 . 53 PHE C C 176.300 0.1 1 412 . 54 LYS H H 8.597 0.02 1 413 . 54 LYS CA C 59.700 0.1 1 414 . 54 LYS HA H 4.062 0.02 1 415 . 54 LYS HB2 H 1.821 0.02 1 416 . 54 LYS HB3 H 1.865 0.02 1 417 . 54 LYS HG2 H 1.489 0.02 1 418 . 54 LYS HG3 H 1.489 0.02 1 419 . 54 LYS HD2 H 1.722 0.02 1 420 . 54 LYS HD3 H 1.722 0.02 1 421 . 54 LYS HE2 H 3.169 0.02 1 422 . 54 LYS HE3 H 3.169 0.02 1 423 . 54 LYS C C 179.500 0.1 1 424 . 55 ARG N N 118.853 0.1 1 425 . 55 ARG H H 7.382 0.02 1 426 . 55 ARG CA C 58.900 0.1 1 427 . 55 ARG HA H 4.091 0.02 1 428 . 55 ARG HB2 H 1.878 0.02 1 429 . 55 ARG HB3 H 2.036 0.02 1 430 . 55 ARG HG2 H 1.697 0.02 2 431 . 55 ARG HG3 H 1.791 0.02 2 432 . 55 ARG HD2 H 3.223 0.02 1 433 . 55 ARG HD3 H 3.223 0.02 1 434 . 55 ARG HE H 7.219 0.02 1 435 . 55 ARG C C 178.200 0.1 1 436 . 56 LEU N N 121.100 0.1 1 437 . 56 LEU H H 7.909 0.02 1 438 . 56 LEU CA C 57.700 0.1 1 439 . 56 LEU HA H 3.773 0.02 1 440 . 56 LEU HB2 H 1.415 0.02 1 441 . 56 LEU HB3 H 1.884 0.02 1 442 . 56 LEU HG H 1.878 0.02 1 443 . 56 LEU HD1 H 0.844 0.02 2 444 . 56 LEU HD2 H 0.950 0.02 2 445 . 56 LEU C C 179.000 0.1 1 446 . 57 ALA N N 121.287 0.1 1 447 . 57 ALA H H 8.429 0.02 1 448 . 57 ALA CA C 55.168 0.1 1 449 . 57 ALA HA H 3.522 0.02 1 450 . 57 ALA HB H 0.837 0.02 1 451 . 57 ALA C C 180.500 0.1 1 452 . 58 GLU N N 118.850 0.1 1 453 . 58 GLU H H 7.948 0.02 1 454 . 58 GLU CA C 57.917 0.1 1 455 . 58 GLU HA H 3.911 0.02 1 456 . 58 GLU HB2 H 2.064 0.02 2 457 . 58 GLU HB3 H 2.172 0.02 2 458 . 58 GLU HG2 H 2.309 0.02 2 459 . 58 GLU HG3 H 2.370 0.02 2 460 . 58 GLU C C 176.500 0.1 1 461 . 59 ASN N N 117.739 0.1 1 462 . 59 ASN H H 8.176 0.02 1 463 . 59 ASN CA C 54.588 0.1 1 464 . 59 ASN HA H 4.562 0.02 1 465 . 59 ASN HB2 H 2.807 0.02 1 466 . 59 ASN HB3 H 2.890 0.02 1 467 . 59 ASN ND2 N 109.600 0.1 1 468 . 59 ASN HD21 H 6.791 0.02 1 469 . 59 ASN HD22 H 7.598 0.02 1 470 . 59 ASN C C 177.500 0.1 1 471 . 60 SER N N 114.619 0.1 1 472 . 60 SER H H 7.792 0.02 1 473 . 60 SER CA C 60.515 0.1 1 474 . 60 SER HA H 4.312 0.02 1 475 . 60 SER HB2 H 3.757 0.02 2 476 . 60 SER HB3 H 3.867 0.02 2 477 . 60 SER C C 175.500 0.1 1 478 . 61 ALA N N 125.926 0.1 1 479 . 61 ALA H H 7.504 0.02 1 480 . 61 ALA CA C 54.684 0.1 1 481 . 61 ALA HA H 4.102 0.02 1 482 . 61 ALA HB H 1.595 0.02 1 483 . 61 ALA C C 178.500 0.1 1 484 . 62 SER N N 110.115 0.1 1 485 . 62 SER H H 7.817 0.02 1 486 . 62 SER CA C 58.678 0.1 1 487 . 62 SER HA H 4.447 0.02 1 488 . 62 SER HB2 H 3.924 0.02 1 489 . 62 SER HB3 H 4.024 0.02 1 490 . 62 SER C C 173.900 0.1 1 491 . 63 SER N N 115.733 0.1 1 492 . 63 SER H H 7.429 0.02 1 493 . 63 SER CA C 56.571 0.1 1 494 . 63 SER HA H 4.610 0.02 1 495 . 63 SER HB2 H 3.811 0.02 2 496 . 63 SER HB3 H 3.854 0.02 2 497 . 63 SER C C 175.100 0.1 1 498 . 64 ASP N N 126.491 0.1 1 499 . 64 ASP H H 8.859 0.02 1 500 . 64 ASP CA C 55.744 0.1 1 501 . 64 ASP HA H 4.638 0.02 1 502 . 64 ASP HB2 H 2.734 0.02 2 503 . 64 ASP HB3 H 2.793 0.02 2 504 . 64 ASP C C 177.200 0.1 1 505 . 65 ASP N N 116.679 0.1 1 506 . 65 ASP H H 8.386 0.02 1 507 . 65 ASP CA C 54.248 0.1 1 508 . 65 ASP HA H 4.845 0.02 1 509 . 65 ASP HB2 H 2.921 0.02 1 510 . 65 ASP HB3 H 3.019 0.02 1 511 . 65 ASP C C 173.700 0.1 1 512 . 66 LEU N N 118.580 0.1 1 513 . 66 LEU H H 7.177 0.02 1 514 . 66 LEU CA C 53.766 0.1 1 515 . 66 LEU HA H 4.965 0.02 1 516 . 66 LEU HB2 H 1.061 0.02 2 517 . 66 LEU HB3 H 1.786 0.02 2 518 . 66 LEU HG H 1.235 0.02 1 519 . 66 LEU HD1 H 0.672 0.02 1 520 . 66 LEU HD2 H 0.764 0.02 1 521 . 66 LEU C C 174.900 0.1 1 522 . 67 LEU N N 125.985 0.1 1 523 . 67 LEU H H 7.763 0.02 1 524 . 67 LEU CA C 53.083 0.1 1 525 . 67 LEU HA H 4.739 0.02 1 526 . 67 LEU HB3 H 1.517 0.02 2 527 . 67 LEU HB2 H 1.621 0.02 2 528 . 67 LEU HG H 1.614 0.02 1 529 . 67 LEU HD1 H 0.764 0.02 2 530 . 67 LEU HD2 H 0.899 0.02 2 531 . 67 LEU C C 174.500 0.1 1 532 . 68 VAL N N 125.420 0.1 1 533 . 68 VAL H H 9.367 0.02 1 534 . 68 VAL CA C 61.690 0.1 1 535 . 68 VAL HA H 4.755 0.02 1 536 . 68 VAL HB H 2.103 0.02 1 537 . 68 VAL HG1 H 0.844 0.02 1 538 . 68 VAL HG2 H 0.762 0.02 1 539 . 68 VAL C C 173.900 0.1 1 540 . 69 ALA N N 129.487 0.1 1 541 . 69 ALA H H 9.632 0.02 1 542 . 69 ALA CA C 49.865 0.1 1 543 . 69 ALA HA H 5.380 0.02 1 544 . 69 ALA HB H 1.256 0.02 1 545 . 69 ALA C C 174.700 0.1 1 546 . 70 GLU N N 117.100 0.1 1 547 . 70 GLU H H 8.535 0.02 1 548 . 70 GLU HA H 5.044 0.02 1 549 . 70 GLU HB2 H 1.853 0.02 1 550 . 70 GLU HB3 H 1.853 0.02 1 551 . 70 GLU HG2 H 2.041 0.02 2 552 . 70 GLU HG3 H 2.135 0.02 2 553 . 70 GLU C C 174.200 0.1 1 554 . 71 VAL N N 124.747 0.1 1 555 . 71 VAL H H 8.597 0.02 1 556 . 71 VAL CA C 60.909 0.1 1 557 . 71 VAL HA H 3.630 0.02 1 558 . 71 VAL HB H 1.886 0.02 1 559 . 71 VAL HG1 H 0.838 0.02 2 560 . 71 VAL HG2 H 0.997 0.02 2 561 . 71 VAL C C 173.900 0.1 1 562 . 72 GLY N N 115.065 0.1 1 563 . 72 GLY H H 8.561 0.02 1 564 . 72 GLY CA C 44.430 0.1 1 565 . 72 GLY HA2 H 3.108 0.02 2 566 . 72 GLY HA3 H 4.210 0.02 2 567 . 72 GLY C C 173.800 0.1 1 568 . 73 ILE N N 126.876 0.1 1 569 . 73 ILE H H 8.880 0.02 1 570 . 73 ILE CA C 60.142 0.1 1 571 . 73 ILE HA H 4.498 0.02 1 572 . 73 ILE HB H 1.529 0.02 1 573 . 73 ILE HG2 H 0.804 0.02 1 574 . 73 ILE HG12 H 0.894 0.02 2 575 . 73 ILE HG13 H 1.431 0.02 2 576 . 73 ILE HD1 H 0.750 0.02 1 577 . 73 ILE C C 174.700 0.1 1 578 . 74 SER N N 116.600 0.1 1 579 . 74 SER H H 8.524 0.02 1 580 . 74 SER CA C 57.000 0.1 1 581 . 74 SER HA H 4.720 0.02 1 582 . 74 SER HB2 H 3.744 0.02 2 583 . 74 SER HB3 H 3.877 0.02 2 584 . 74 SER C C 173.200 0.1 1 585 . 75 ASP N N 122.196 0.1 1 586 . 75 ASP H H 8.302 0.02 1 587 . 75 ASP CA C 52.791 0.1 1 588 . 75 ASP HA H 4.798 0.02 1 589 . 75 ASP HB2 H 2.562 0.02 1 590 . 75 ASP HB3 H 2.789 0.02 1 591 . 75 ASP C C 175.300 0.1 1 592 . 76 TYR N N 117.846 0.1 1 593 . 76 TYR H H 7.824 0.02 1 594 . 76 TYR CA C 56.132 0.1 1 595 . 76 TYR HA H 4.745 0.02 1 596 . 76 TYR HB2 H 2.993 0.02 1 597 . 76 TYR HB3 H 3.057 0.02 1 598 . 76 TYR HD1 H 7.158 0.02 1 599 . 76 TYR HD2 H 7.158 0.02 1 600 . 76 TYR HE1 H 6.920 0.02 1 601 . 76 TYR HE2 H 6.920 0.02 1 602 . 76 TYR C C 176.200 0.1 1 603 . 77 GLY N N 111.728 0.1 1 604 . 77 GLY H H 8.725 0.02 1 605 . 77 GLY CA C 46.710 0.1 1 606 . 77 GLY HA2 H 3.658 0.02 1 607 . 77 GLY HA3 H 3.944 0.02 1 608 . 77 GLY C C 174.700 0.1 1 609 . 78 ASP N N 125.697 0.1 1 610 . 78 ASP H H 8.499 0.02 1 611 . 78 ASP CA C 54.401 0.1 1 612 . 78 ASP HA H 4.443 0.02 1 613 . 78 ASP HB2 H 2.751 0.02 1 614 . 78 ASP HB3 H 2.751 0.02 1 615 . 78 ASP C C 176.100 0.1 1 616 . 79 LYS N N 117.962 0.1 1 617 . 79 LYS H H 8.261 0.02 1 618 . 79 LYS CA C 56.942 0.1 1 619 . 79 LYS HA H 3.694 0.02 1 620 . 79 LYS C C 176.800 0.1 1 621 . 80 LEU N N 121.384 0.1 1 622 . 80 LEU H H 7.279 0.02 1 623 . 80 LEU CA C 56.663 0.1 1 624 . 80 LEU HA H 4.071 0.02 1 625 . 80 LEU HB2 H 1.127 0.02 1 626 . 80 LEU HB3 H 1.482 0.02 1 627 . 80 LEU HG H 1.420 0.02 1 628 . 80 LEU HD1 H 0.174 0.02 1 629 . 80 LEU HD2 H 0.309 0.02 1 630 . 80 LEU C C 180.100 0.1 1 631 . 81 ASN N N 117.500 0.1 1 632 . 81 ASN H H 9.896 0.02 1 633 . 81 ASN CA C 56.900 0.1 1 634 . 81 ASN HA H 4.417 0.02 1 635 . 81 ASN HB2 H 2.641 0.02 2 636 . 81 ASN HB3 H 3.514 0.02 2 637 . 81 ASN ND2 N 111.600 0.1 1 638 . 81 ASN HD21 H 6.517 0.02 1 639 . 81 ASN HD22 H 8.028 0.02 1 640 . 81 ASN C C 176.700 0.1 1 641 . 82 MET N N 122.642 0.1 1 642 . 82 MET H H 7.017 0.02 1 643 . 82 MET CA C 61.845 0.1 1 644 . 82 MET HA H 4.863 0.02 1 645 . 82 MET HB2 H 1.752 0.02 2 646 . 82 MET HB3 H 1.969 0.02 2 647 . 82 MET HG2 H 2.254 0.02 2 648 . 82 MET HG3 H 2.310 0.02 2 649 . 82 MET HE H 2.055 0.02 1 650 . 82 MET C C 176.600 0.1 1 651 . 83 GLU N N 121.904 0.1 1 652 . 83 GLU H H 8.527 0.02 1 653 . 83 GLU CA C 60.340 0.1 1 654 . 83 GLU HA H 5.212 0.02 1 655 . 83 GLU HB2 H 1.847 0.02 2 656 . 83 GLU HB3 H 2.387 0.02 2 657 . 83 GLU HG2 H 1.890 0.02 2 658 . 83 GLU HG3 H 2.068 0.02 2 659 . 83 GLU C C 176.600 0.1 1 660 . 84 LEU N N 121.973 0.1 1 661 . 84 LEU H H 8.549 0.02 1 662 . 84 LEU CA C 56.564 0.1 1 663 . 84 LEU HA H 4.071 0.02 1 664 . 84 LEU HB2 H 1.404 0.02 2 665 . 84 LEU HB3 H 1.822 0.02 2 666 . 84 LEU HG H 1.484 0.02 1 667 . 84 LEU HD1 H 0.431 0.02 1 668 . 84 LEU HD2 H 0.724 0.02 1 669 . 84 LEU C C 177.700 0.1 1 670 . 85 SER N N 112.233 0.1 1 671 . 85 SER H H 7.058 0.02 1 672 . 85 SER CA C 60.734 0.1 1 673 . 85 SER HA H 3.882 0.02 1 674 . 85 SER HB2 H 4.160 0.02 1 675 . 85 SER HB3 H 4.160 0.02 1 676 . 85 SER C C 176.100 0.1 1 677 . 86 GLU N N 118.200 0.1 1 678 . 86 GLU H H 8.181 0.02 1 679 . 86 GLU CA C 58.400 0.1 1 680 . 86 GLU HA H 4.091 0.02 1 681 . 86 GLU HB2 H 2.019 0.02 2 682 . 86 GLU HB3 H 2.050 0.02 2 683 . 86 GLU HG2 H 2.336 0.02 2 684 . 86 GLU HG3 H 2.421 0.02 2 685 . 86 GLU C C 179.600 0.1 1 686 . 87 LYS N N 120.938 0.1 1 687 . 87 LYS H H 7.631 0.02 1 688 . 87 LYS CA C 58.893 0.1 1 689 . 87 LYS HA H 3.835 0.02 1 690 . 87 LYS HB2 H 1.766 0.02 2 691 . 87 LYS HB3 H 1.977 0.02 2 692 . 87 LYS HG2 H 1.745 0.02 1 693 . 87 LYS HG3 H 1.745 0.02 1 694 . 87 LYS HD2 H 1.709 0.02 1 695 . 87 LYS HD3 H 1.709 0.02 1 696 . 87 LYS HE2 H 2.949 0.02 1 697 . 87 LYS HE3 H 2.949 0.02 1 698 . 87 LYS C C 177.500 0.1 1 699 . 88 TYR N N 112.798 0.1 1 700 . 88 TYR H H 6.925 0.02 1 701 . 88 TYR CA C 58.481 0.1 1 702 . 88 TYR HA H 4.453 0.02 1 703 . 88 TYR HB2 H 2.930 0.02 1 704 . 88 TYR HB3 H 3.513 0.02 1 705 . 88 TYR HD1 H 6.938 0.02 1 706 . 88 TYR HD2 H 6.938 0.02 1 707 . 88 TYR HE1 H 7.176 0.02 1 708 . 88 TYR HE2 H 7.176 0.02 1 709 . 88 TYR C C 173.000 0.1 1 710 . 89 LYS N N 117.962 0.1 1 711 . 89 LYS H H 7.643 0.02 1 712 . 89 LYS CA C 56.390 0.1 1 713 . 89 LYS HA H 3.899 0.02 1 714 . 89 LYS HB2 H 1.838 0.02 1 715 . 89 LYS HB3 H 1.989 0.02 1 716 . 89 LYS HG2 H 1.353 0.02 1 717 . 89 LYS HG3 H 1.353 0.02 1 718 . 89 LYS HD2 H 1.658 0.02 1 719 . 89 LYS HD3 H 1.658 0.02 1 720 . 89 LYS HE2 H 3.016 0.02 1 721 . 89 LYS HE3 H 3.016 0.02 1 722 . 89 LYS C C 176.300 0.1 1 723 . 90 LEU N N 116.847 0.1 1 724 . 90 LEU H H 7.951 0.02 1 725 . 90 LEU CA C 54.409 0.1 1 726 . 90 LEU HA H 4.171 0.02 1 727 . 90 LEU HB2 H 1.148 0.02 1 728 . 90 LEU HB3 H 1.148 0.02 1 729 . 90 LEU HG H 1.359 0.02 1 730 . 90 LEU HD1 H 0.031 0.02 1 731 . 90 LEU HD2 H 0.502 0.02 1 732 . 90 LEU C C 177.100 0.1 1 733 . 91 ASP N N 120.650 0.1 1 734 . 91 ASP H H 8.255 0.02 1 735 . 91 ASP CA C 52.714 0.1 1 736 . 91 ASP HA H 4.581 0.02 1 737 . 91 ASP HB2 H 2.605 0.02 2 738 . 91 ASP HB3 H 2.671 0.02 2 739 . 91 ASP C C 176.400 0.1 1 740 . 92 LYS N N 123.772 0.1 1 741 . 92 LYS H H 8.280 0.02 1 742 . 92 LYS CA C 57.017 0.1 1 743 . 92 LYS HA H 4.241 0.02 1 744 . 92 LYS HB2 H 1.599 0.02 2 745 . 92 LYS HB3 H 1.639 0.02 2 746 . 92 LYS HG2 H 1.197 0.02 4 747 . 92 LYS HG3 H 1.353 0.02 4 748 . 92 LYS HD2 H 1.439 0.02 4 749 . 92 LYS HD3 H 1.439 0.02 4 750 . 92 LYS C C 177.500 0.1 1 751 . 93 GLU N N 118.185 0.1 1 752 . 93 GLU H H 8.121 0.02 1 753 . 93 GLU CA C 56.695 0.1 1 754 . 93 GLU HA H 4.163 0.02 1 755 . 93 GLU HB2 H 1.905 0.02 1 756 . 93 GLU HB3 H 2.082 0.02 1 757 . 93 GLU HG2 H 2.312 0.02 2 758 . 93 GLU HG3 H 2.359 0.02 2 759 . 93 GLU C C 177.100 0.1 1 760 . 94 SER N N 113.950 0.1 1 761 . 94 SER H H 7.858 0.02 1 762 . 94 SER CA C 57.751 0.1 1 763 . 94 SER HA H 4.435 0.02 1 764 . 94 SER HB2 H 3.796 0.02 1 765 . 94 SER HB3 H 3.879 0.02 1 766 . 94 SER C C 173.500 0.1 1 767 . 95 TYR N N 119.076 0.1 1 768 . 95 TYR H H 7.016 0.02 1 769 . 95 TYR CA C 54.313 0.1 1 770 . 95 TYR HA H 4.554 0.02 1 771 . 95 TYR HB2 H 2.871 0.02 1 772 . 95 TYR HB3 H 2.926 0.02 1 773 . 95 TYR HD1 H 6.919 0.02 1 774 . 95 TYR HD2 H 6.919 0.02 1 775 . 95 TYR HE1 H 6.484 0.02 1 776 . 95 TYR HE2 H 6.484 0.02 1 777 . 96 PRO CA C 66.900 0.1 1 778 . 96 PRO HA H 4.799 0.02 1 779 . 96 PRO HB2 H 2.054 0.02 2 780 . 96 PRO HB3 H 2.128 0.02 2 781 . 96 PRO HG2 H 2.113 0.02 1 782 . 96 PRO HG3 H 2.113 0.02 1 783 . 96 PRO HD2 H 3.513 0.02 2 784 . 96 PRO HD3 H 3.846 0.02 2 785 . 96 PRO C C 174.400 0.1 1 786 . 97 VAL N N 120.337 0.1 1 787 . 97 VAL H H 8.588 0.02 1 788 . 97 VAL CA C 57.476 0.1 1 789 . 97 VAL HA H 4.530 0.02 1 790 . 97 VAL HB H 1.965 0.02 1 791 . 97 VAL HG1 H 1.006 0.02 1 792 . 97 VAL HG2 H 0.896 0.02 1 793 . 97 VAL C C 174.300 0.1 1 794 . 98 PHE N N 124.648 0.1 1 795 . 98 PHE H H 9.335 0.02 1 796 . 98 PHE CA C 56.588 0.1 1 797 . 98 PHE HA H 5.526 0.02 1 798 . 98 PHE HB2 H 2.616 0.02 2 799 . 98 PHE HB3 H 3.144 0.02 2 800 . 98 PHE HD1 H 7.173 0.02 1 801 . 98 PHE HD2 H 7.173 0.02 1 802 . 98 PHE HE1 H 6.832 0.02 1 803 . 98 PHE HE2 H 6.832 0.02 1 804 . 98 PHE HZ H 6.771 0.02 1 805 . 98 PHE C C 174.400 0.1 1 806 . 99 TYR N N 122.865 0.1 1 807 . 99 TYR H H 9.377 0.02 1 808 . 99 TYR CA C 54.958 0.1 1 809 . 99 TYR HA H 5.282 0.02 1 810 . 99 TYR HB2 H 2.485 0.02 2 811 . 99 TYR HB3 H 3.047 0.02 2 812 . 99 TYR HD1 H 6.768 0.02 1 813 . 99 TYR HD2 H 6.768 0.02 1 814 . 99 TYR HE1 H 6.558 0.02 1 815 . 99 TYR HE2 H 6.558 0.02 1 816 . 99 TYR C C 174.300 0.1 1 817 . 100 LEU N N 123.533 0.1 1 818 . 100 LEU H H 9.365 0.02 1 819 . 100 LEU CA C 53.327 0.1 1 820 . 100 LEU HA H 5.304 0.02 1 821 . 100 LEU HB2 H 1.452 0.02 1 822 . 100 LEU HB3 H 2.253 0.02 1 823 . 100 LEU HG H 1.454 0.02 1 824 . 100 LEU HD1 H 0.507 0.02 1 825 . 100 LEU HD2 H 0.840 0.02 1 826 . 100 LEU C C 175.000 0.1 1 827 . 101 PHE N N 127.768 0.1 1 828 . 101 PHE H H 9.640 0.02 1 829 . 101 PHE CA C 56.673 0.1 1 830 . 101 PHE HA H 5.076 0.02 1 831 . 101 PHE HB2 H 2.521 0.02 2 832 . 101 PHE HB3 H 2.942 0.02 2 833 . 101 PHE HD1 H 7.328 0.02 1 834 . 101 PHE HD2 H 7.328 0.02 1 835 . 101 PHE HE1 H 7.454 0.02 1 836 . 101 PHE HE2 H 7.454 0.02 1 837 . 101 PHE HZ H 6.941 0.02 1 838 . 101 PHE C C 175.300 0.1 1 839 . 102 ARG N N 121.750 0.1 1 840 . 102 ARG H H 9.499 0.02 1 841 . 102 ARG CA C 53.389 0.1 1 842 . 102 ARG HA H 5.276 0.02 1 843 . 102 ARG HB2 H 1.714 0.02 1 844 . 102 ARG HB3 H 1.714 0.02 1 845 . 102 ARG HG2 H 1.475 0.02 2 846 . 102 ARG HG3 H 1.554 0.02 2 847 . 102 ARG HD2 H 3.250 0.02 2 848 . 102 ARG HD3 H 3.287 0.02 2 849 . 102 ARG HE H 7.223 0.02 1 850 . 102 ARG C C 176.300 0.1 1 851 . 103 ASP N N 120.674 0.1 1 852 . 103 ASP H H 9.285 0.02 1 853 . 103 ASP CA C 55.037 0.1 1 854 . 103 ASP HA H 4.207 0.02 1 855 . 103 ASP HB2 H 2.615 0.02 2 856 . 103 ASP HB3 H 2.946 0.02 2 857 . 103 ASP C C 175.800 0.1 1 858 . 104 GLY N N 105.337 0.1 1 859 . 104 GLY H H 9.150 0.02 1 860 . 104 GLY CA C 45.881 0.1 1 861 . 104 GLY HA2 H 3.044 0.02 1 862 . 104 GLY HA3 H 3.721 0.02 1 863 . 104 GLY C C 173.000 0.1 1 864 . 105 ASP N N 117.070 0.1 1 865 . 105 ASP H H 7.560 0.02 1 866 . 105 ASP CA C 52.897 0.1 1 867 . 105 ASP HA H 4.676 0.02 1 868 . 105 ASP HB2 H 2.659 0.02 2 869 . 105 ASP HB3 H 3.368 0.02 2 870 . 105 ASP C C 177.300 0.1 1 871 . 106 PHE N N 122.642 0.1 1 872 . 106 PHE H H 8.166 0.02 1 873 . 106 PHE CA C 60.020 0.1 1 874 . 106 PHE HA H 4.663 0.02 1 875 . 106 PHE HB2 H 3.295 0.02 1 876 . 106 PHE HB3 H 3.341 0.02 1 877 . 106 PHE HD1 H 7.404 0.02 1 878 . 106 PHE HD2 H 7.404 0.02 1 879 . 106 PHE HE1 H 7.187 0.02 1 880 . 106 PHE HE2 H 7.187 0.02 1 881 . 106 PHE HZ H 7.498 0.02 1 882 . 106 PHE C C 177.800 0.1 1 883 . 107 GLU N N 116.600 0.1 1 884 . 107 GLU H H 8.512 0.02 1 885 . 107 GLU CA C 56.900 0.1 1 886 . 107 GLU HA H 4.685 0.02 1 887 . 107 GLU HB2 H 2.172 0.02 2 888 . 107 GLU HB3 H 2.311 0.02 2 889 . 107 GLU HG2 H 2.456 0.02 2 890 . 107 GLU HG3 H 2.500 0.02 2 891 . 107 GLU C C 176.700 0.1 1 892 . 108 ASN N N 115.680 0.1 1 893 . 108 ASN H H 7.404 0.02 1 894 . 108 ASN CA C 51.007 0.1 1 895 . 108 ASN HA H 5.365 0.02 1 896 . 108 ASN HB2 H 2.681 0.02 2 897 . 108 ASN HB3 H 2.745 0.02 2 898 . 108 ASN ND2 N 119.900 0.1 1 899 . 108 ASN HD21 H 6.986 0.02 1 900 . 108 ASN HD22 H 8.498 0.02 1 901 . 109 PRO CA C 62.800 0.1 1 902 . 109 PRO HA H 4.606 0.02 1 903 . 109 PRO HB2 H 0.665 0.02 1 904 . 109 PRO HB3 H 0.511 0.02 1 905 . 109 PRO HG2 H 1.418 0.02 1 906 . 109 PRO HG3 H 1.418 0.02 1 907 . 109 PRO HD2 H 3.371 0.02 2 908 . 109 PRO HD3 H 3.663 0.02 2 909 . 109 PRO C C 176.100 0.1 1 910 . 110 VAL N N 121.576 0.1 1 911 . 110 VAL H H 8.973 0.02 1 912 . 110 VAL CA C 59.173 0.1 1 913 . 110 VAL HA H 4.545 0.02 1 914 . 110 VAL HB H 2.285 0.02 1 915 . 110 VAL HG1 H 1.202 0.02 1 916 . 110 VAL HG2 H 1.043 0.02 1 917 . 111 PRO CA C 63.000 0.1 1 918 . 111 PRO HA H 3.836 0.02 1 919 . 111 PRO HB2 H 1.430 0.02 2 920 . 111 PRO HB3 H 1.513 0.02 2 921 . 111 PRO HG2 H 0.485 0.02 2 922 . 111 PRO HG3 H 0.951 0.02 2 923 . 111 PRO HD2 H 2.886 0.02 2 924 . 111 PRO HD3 H 3.079 0.02 2 925 . 111 PRO C C 175.800 0.1 1 926 . 112 TYR N N 126.900 0.1 1 927 . 112 TYR H H 8.120 0.02 1 928 . 112 TYR CA C 57.400 0.1 1 929 . 112 TYR HA H 3.701 0.02 1 930 . 112 TYR HB2 H 3.407 0.02 2 931 . 112 TYR HB3 H 3.492 0.02 2 932 . 112 TYR HD1 H 6.026 0.02 1 933 . 112 TYR HD2 H 6.026 0.02 1 934 . 112 TYR HE1 H 6.026 0.02 1 935 . 112 TYR HE2 H 6.026 0.02 1 936 . 112 TYR HH H 9.216 0.02 1 937 . 112 TYR C C 175.900 0.1 1 938 . 113 SER N N 122.865 0.1 1 939 . 113 SER H H 7.555 0.02 1 940 . 113 SER CA C 56.500 0.1 1 941 . 113 SER HA H 4.433 0.02 1 942 . 113 SER HB2 H 3.560 0.02 1 943 . 113 SER HB3 H 3.660 0.02 1 944 . 113 SER C C 173.100 0.1 1 945 . 114 GLY N N 107.710 0.1 1 946 . 114 GLY H H 5.413 0.02 1 947 . 114 GLY CA C 43.800 0.1 1 948 . 114 GLY HA2 H 3.473 0.02 2 949 . 114 GLY HA3 H 3.895 0.02 2 950 . 114 GLY C C 172.200 0.1 1 951 . 115 ALA N N 120.636 0.1 1 952 . 115 ALA H H 8.254 0.02 1 953 . 115 ALA CA C 51.797 0.1 1 954 . 115 ALA HA H 4.231 0.02 1 955 . 115 ALA HB H 1.272 0.02 1 956 . 115 ALA C C 179.900 0.1 1 957 . 116 VAL N N 127.093 0.1 1 958 . 116 VAL H H 9.400 0.02 1 959 . 116 VAL CA C 62.320 0.1 1 960 . 116 VAL HA H 3.801 0.02 1 961 . 116 VAL HB H 2.200 0.02 1 962 . 116 VAL HG1 H 0.997 0.02 1 963 . 116 VAL HG2 H 1.174 0.02 1 964 . 116 VAL C C 173.200 0.1 1 965 . 117 LYS N N 123.718 0.1 1 966 . 117 LYS H H 7.218 0.02 1 967 . 117 LYS CA C 52.775 0.1 1 968 . 117 LYS HA H 4.717 0.02 1 969 . 117 LYS HB2 H 1.766 0.02 1 970 . 117 LYS HB3 H 1.879 0.02 1 971 . 117 LYS HG2 H 1.189 0.02 2 972 . 117 LYS HG3 H 1.275 0.02 2 973 . 117 LYS HD2 H 1.630 0.02 1 974 . 117 LYS HD3 H 1.630 0.02 1 975 . 117 LYS HE2 H 2.931 0.02 1 976 . 117 LYS HE3 H 2.931 0.02 1 977 . 117 LYS C C 177.200 0.1 1 978 . 118 VAL N N 123.583 0.1 1 979 . 118 VAL H H 9.607 0.02 1 980 . 118 VAL CA C 67.029 0.1 1 981 . 118 VAL HA H 3.385 0.02 1 982 . 118 VAL HB H 2.084 0.02 1 983 . 118 VAL HG1 H 0.845 0.02 1 984 . 118 VAL HG2 H 0.950 0.02 1 985 . 118 VAL C C 176.700 0.1 1 986 . 119 GLY N N 107.083 0.1 1 987 . 119 GLY H H 8.893 0.02 1 988 . 119 GLY CA C 46.729 0.1 1 989 . 119 GLY HA2 H 3.773 0.02 1 990 . 119 GLY HA3 H 3.811 0.02 1 991 . 119 GLY C C 176.200 0.1 1 992 . 120 ALA N N 123.934 0.1 1 993 . 120 ALA H H 6.828 0.02 1 994 . 120 ALA CA C 54.719 0.1 1 995 . 120 ALA HA H 4.227 0.02 1 996 . 120 ALA HB H 1.594 0.02 1 997 . 120 ALA C C 180.700 0.1 1 998 . 121 ILE N N 120.060 0.1 1 999 . 121 ILE H H 8.237 0.02 1 1000 . 121 ILE CA C 65.207 0.1 1 1001 . 121 ILE HA H 3.404 0.02 1 1002 . 121 ILE HB H 1.431 0.02 1 1003 . 121 ILE HG2 H 0.474 0.02 1 1004 . 121 ILE HG12 H -0.282 0.02 1 1005 . 121 ILE HG13 H 1.516 0.02 1 1006 . 121 ILE HD1 H 0.002 0.02 1 1007 . 121 ILE C C 178.500 0.1 1 1008 . 122 GLN N N 118.219 0.1 1 1009 . 122 GLN H H 8.695 0.02 1 1010 . 122 GLN CA C 60.375 0.1 1 1011 . 122 GLN HA H 3.766 0.02 1 1012 . 122 GLN HB2 H 1.749 0.02 2 1013 . 122 GLN HB3 H 1.883 0.02 2 1014 . 122 GLN HG2 H 2.005 0.02 2 1015 . 122 GLN HG3 H 2.230 0.02 2 1016 . 122 GLN NE2 N 108.600 0.1 1 1017 . 122 GLN HE21 H 6.556 0.02 1 1018 . 122 GLN HE22 H 7.010 0.02 1 1019 . 122 GLN C C 177.700 0.1 1 1020 . 123 ARG N N 118.425 0.1 1 1021 . 123 ARG H H 7.969 0.02 1 1022 . 123 ARG CA C 59.880 0.1 1 1023 . 123 ARG HA H 4.019 0.02 1 1024 . 123 ARG HB2 H 1.975 0.02 2 1025 . 123 ARG HB3 H 2.035 0.02 2 1026 . 123 ARG HG2 H 1.704 0.02 2 1027 . 123 ARG HG3 H 1.859 0.02 2 1028 . 123 ARG HD2 H 3.242 0.02 2 1029 . 123 ARG HD3 H 3.304 0.02 2 1030 . 123 ARG HE H 7.293 0.02 1 1031 . 123 ARG C C 179.400 0.1 1 1032 . 124 TRP N N 122.400 0.1 1 1033 . 124 TRP H H 7.964 0.02 1 1034 . 124 TRP CA C 61.300 0.1 1 1035 . 124 TRP HA H 4.443 0.02 1 1036 . 124 TRP HB2 H 3.512 0.02 1 1037 . 124 TRP HB3 H 3.621 0.02 1 1038 . 124 TRP NE1 N 130.500 0.1 1 1039 . 124 TRP HD1 H 7.532 0.02 1 1040 . 124 TRP HE3 H 7.349 0.02 1 1041 . 124 TRP HE1 H 10.243 0.02 1 1042 . 124 TRP HZ3 H 7.041 0.02 1 1043 . 124 TRP HZ2 H 7.323 0.02 1 1044 . 124 TRP HH2 H 6.657 0.02 1 1045 . 124 TRP C C 178.900 0.1 1 1046 . 125 LEU N N 120.400 0.1 1 1047 . 125 LEU H H 8.897 0.02 1 1048 . 125 LEU CA C 57.700 0.1 1 1049 . 125 LEU HA H 3.772 0.02 1 1050 . 125 LEU HB2 H 1.885 0.02 2 1051 . 125 LEU HB3 H 2.604 0.02 2 1052 . 125 LEU HG H 2.109 0.02 1 1053 . 125 LEU HD1 H 0.723 0.02 1 1054 . 125 LEU HD2 H 0.764 0.02 1 1055 . 125 LEU C C 179.400 0.1 1 1056 . 126 LYS N N 119.968 0.1 1 1057 . 126 LYS H H 8.155 0.02 1 1058 . 126 LYS CA C 59.600 0.1 1 1059 . 126 LYS HA H 4.342 0.02 1 1060 . 126 LYS HB2 H 1.814 0.02 1 1061 . 126 LYS HB3 H 1.814 0.02 1 1062 . 126 LYS HG2 H 1.429 0.02 4 1063 . 126 LYS HG3 H 1.429 0.02 4 1064 . 126 LYS HD2 H 1.498 0.02 4 1065 . 126 LYS HD3 H 1.498 0.02 4 1066 . 126 LYS HE2 H 2.881 0.02 1 1067 . 126 LYS HE3 H 2.881 0.02 1 1068 . 126 LYS C C 181.800 0.1 1 1069 . 127 GLY N N 108.346 0.1 1 1070 . 127 GLY H H 7.854 0.02 1 1071 . 127 GLY CA C 46.340 0.1 1 1072 . 127 GLY HA2 H 3.906 0.02 1 1073 . 127 GLY HA3 H 3.906 0.02 1 1074 . 127 GLY C C 175.400 0.1 1 1075 . 128 GLN N N 117.545 0.1 1 1076 . 128 GLN H H 7.269 0.02 1 1077 . 128 GLN CA C 54.083 0.1 1 1078 . 128 GLN HA H 3.995 0.02 1 1079 . 128 GLN HB2 H 1.356 0.02 2 1080 . 128 GLN HB3 H 1.951 0.02 2 1081 . 128 GLN HG2 H 1.854 0.02 2 1082 . 128 GLN HG3 H 2.013 0.02 2 1083 . 128 GLN NE2 N 112.300 0.1 1 1084 . 128 GLN HE21 H 6.340 0.02 1 1085 . 128 GLN HE22 H 6.579 0.02 1 1086 . 128 GLN C C 175.300 0.1 1 1087 . 129 GLY N N 104.823 0.1 1 1088 . 129 GLY H H 7.475 0.02 1 1089 . 129 GLY CA C 44.431 0.1 1 1090 . 129 GLY HA2 H 3.539 0.02 2 1091 . 129 GLY HA3 H 4.327 0.02 2 1092 . 129 GLY C C 173.700 0.1 1 1093 . 130 VAL N N 121.305 0.1 1 1094 . 130 VAL H H 7.278 0.02 1 1095 . 130 VAL CA C 61.401 0.1 1 1096 . 130 VAL HA H 3.236 0.02 1 1097 . 130 VAL HB H 1.168 0.02 1 1098 . 130 VAL HG1 H -0.476 0.02 1 1099 . 130 VAL HG2 H 0.414 0.02 1 1100 . 130 VAL C C 175.100 0.1 1 1101 . 131 TYR N N 125.000 0.1 1 1102 . 131 TYR H H 8.671 0.02 1 1103 . 131 TYR CA C 57.900 0.1 1 1104 . 131 TYR HA H 4.604 0.02 1 1105 . 131 TYR HB2 H 3.022 0.02 2 1106 . 131 TYR HB3 H 3.104 0.02 2 1107 . 131 TYR HD1 H 7.159 0.02 1 1108 . 131 TYR HD2 H 7.159 0.02 1 1109 . 131 TYR HE1 H 6.822 0.02 1 1110 . 131 TYR HE2 H 6.822 0.02 1 1111 . 131 TYR C C 174.800 0.1 1 1112 . 132 LEU N N 124.400 0.1 1 1113 . 132 LEU H H 8.509 0.02 1 1114 . 132 LEU CA C 55.100 0.1 1 1115 . 132 LEU HA H 4.106 0.02 1 1116 . 132 LEU HB2 H 1.548 0.02 1 1117 . 132 LEU HB3 H 1.548 0.02 1 1118 . 132 LEU HG H 1.522 0.02 1 1119 . 132 LEU HD1 H 0.786 0.02 2 1120 . 132 LEU HD2 H 0.909 0.02 2 1121 . 132 LEU C C 174.800 0.1 1 1122 . 133 GLY N N 110.162 0.1 1 1123 . 133 GLY H H 8.393 0.02 1 1124 . 133 GLY CA C 45.018 0.1 1 1125 . 133 GLY HA2 H 3.934 0.02 2 1126 . 133 GLY HA3 H 4.018 0.02 2 1127 . 133 GLY C C 173.700 0.1 1 1128 . 134 MET N N 115.716 0.1 1 1129 . 134 MET H H 8.371 0.02 1 1130 . 134 MET CA C 57.865 0.1 1 1131 . 134 MET HA H 4.242 0.02 1 1132 . 134 MET HB2 H 2.098 0.02 2 1133 . 134 MET HB3 H 2.168 0.02 2 1134 . 134 MET HG2 H 2.511 0.02 2 1135 . 134 MET HG3 H 2.553 0.02 2 1136 . 134 MET HE H 2.043 0.02 1 1137 . 135 PRO CA C 63.500 0.1 1 1138 . 135 PRO HA H 4.577 0.02 1 1139 . 135 PRO HB2 H 2.305 0.02 1 1140 . 135 PRO HB3 H 2.305 0.02 1 1141 . 135 PRO HG2 H 1.847 0.02 1 1142 . 135 PRO HG3 H 1.847 0.02 1 1143 . 135 PRO HD2 H 3.099 0.02 2 1144 . 135 PRO HD3 H 3.195 0.02 2 1145 . 135 PRO C C 177.500 0.1 1 1146 . 136 GLY N N 109.887 0.1 1 1147 . 136 GLY H H 8.515 0.02 1 1148 . 136 GLY CA C 45.142 0.1 1 1149 . 136 GLY HA2 H 3.678 0.02 1 1150 . 136 GLY HA3 H 3.875 0.02 1 1151 . 136 GLY C C 174.100 0.1 1 1152 . 137 CYS N N 119.290 0.1 1 1153 . 137 CYS H H 7.455 0.02 1 1154 . 137 CYS CA C 42.452 0.1 1 1155 . 137 CYS HB2 H 2.881 0.02 2 1156 . 137 CYS HB3 H 3.173 0.02 2 stop_ save_