data_6711 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; NMR assignment of Human Ubiquitin Conjugating Enzyme (Ubc7) ; _BMRB_accession_number 6711 _BMRB_flat_file_name bmr6711.str _Entry_type original _Submission_date 2005-06-30 _Accession_date 2005-06-30 _Entry_origination author _NMR_STAR_version 2.1.1 _Experimental_method NMR _Details '1H, 13C, and 15N chemical shift resonance assignments for Human Ubc7' loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Briggman Kathryn B. . 2 Majumdar Ananya . . 3 Coleman Catherine S. . 4 Chau Vincent . . 5 Tolman Joel R. . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 767 "13C chemical shifts" 645 "15N chemical shifts" 147 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2005-10-26 original BMRB . stop_ _Original_release_date 2005-06-30 save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title ; NMR Assignment of Human Ubiquitin Conjugating Enzyme Ubc7 ; _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 16211496 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Briggman Kathryn B. . 2 Majumdar Ananya . . 3 Coleman Catherine S. . 4 Chau Vincent . . 5 Tolman Joel R. . stop_ _Journal_abbreviation 'J. Biomol. NMR' _Journal_volume 32 _Journal_issue 4 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 340 _Page_last 340 _Year 2005 _Details . loop_ _Keyword 'ubiquitin conjugating enzyme' stop_ save_ ####################################### # Cited references within the entry # ####################################### save_reference_1 _Saveframe_category citation _Citation_full ; Cook, W.J., Martin, P.D., Edwards, B.F.P., Yamazaki, R.K., and Chau, V. (1997) Biochemistry, 36, 1621-1627. ; _Citation_title ; Crystal structure of a class I ubiquitin conjugating enzyme (Ubc7) from Saccharomyces cerevisiae at 2.9 angstroms resolution. ; _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 9048545 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Cook William J. . 2 Martin Philip D. . 3 Edwards Brian F.P. . 4 Yamazaki Russell K. . 5 Chau Vincent . . stop_ _Journal_abbreviation Biochemistry _Journal_name_full . _Journal_volume 36 _Journal_issue . _Journal_CSD . _Book_title . _Book_chapter_title . _Book_volume . _Book_series . _Book_publisher . _Book_publisher_city . _Book_ISBN . _Conference_title . _Conference_site . _Conference_state_province . _Conference_country . _Conference_start_date . _Conference_end_date . _Conference_abstract_number . _Thesis_institution . _Thesis_institution_city . _Thesis_institution_country . _Page_first 1621 _Page_last 1627 _Year 1997 _Details 'X-ray crystal structure of yeast Ubc7' save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name Ubc7 _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label Ubc7 $Human_Ubquitin_Conjugating_Enzyme_7 stop_ _System_molecular_weight 18504 _System_physical_state native _System_oligomer_state ? _System_paramagnetic no _System_thiol_state 'all free' loop_ _Biological_function 'ubiquitin conjugating enzyme' stop_ _Database_query_date . _Details . save_ ######################## # Monomeric polymers # ######################## save_Human_Ubquitin_Conjugating_Enzyme_7 _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common hUbc7 _Molecular_mass 18504 _Mol_thiol_state 'all free' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 165 _Mol_residue_sequence ; MAGTALKRLMAEYKQLTLNP PEGIVAGPMNEENFFEWEAL IMGPEDTCFEFGVFPAILSF PLDYPLSPPKMRFTCEMFHP NIYPDGRVCISILHAPGDDP MGYESSAERWSPVQSVEKIL LSVVSMLAEPNDESGANVDA SKMWRDDREQFYKIAKQIVQ KSLGL ; loop_ _Residue_seq_code _Residue_label 1 MET 2 ALA 3 GLY 4 THR 5 ALA 6 LEU 7 LYS 8 ARG 9 LEU 10 MET 11 ALA 12 GLU 13 TYR 14 LYS 15 GLN 16 LEU 17 THR 18 LEU 19 ASN 20 PRO 21 PRO 22 GLU 23 GLY 24 ILE 25 VAL 26 ALA 27 GLY 28 PRO 29 MET 30 ASN 31 GLU 32 GLU 33 ASN 34 PHE 35 PHE 36 GLU 37 TRP 38 GLU 39 ALA 40 LEU 41 ILE 42 MET 43 GLY 44 PRO 45 GLU 46 ASP 47 THR 48 CYS 49 PHE 50 GLU 51 PHE 52 GLY 53 VAL 54 PHE 55 PRO 56 ALA 57 ILE 58 LEU 59 SER 60 PHE 61 PRO 62 LEU 63 ASP 64 TYR 65 PRO 66 LEU 67 SER 68 PRO 69 PRO 70 LYS 71 MET 72 ARG 73 PHE 74 THR 75 CYS 76 GLU 77 MET 78 PHE 79 HIS 80 PRO 81 ASN 82 ILE 83 TYR 84 PRO 85 ASP 86 GLY 87 ARG 88 VAL 89 CYS 90 ILE 91 SER 92 ILE 93 LEU 94 HIS 95 ALA 96 PRO 97 GLY 98 ASP 99 ASP 100 PRO 101 MET 102 GLY 103 TYR 104 GLU 105 SER 106 SER 107 ALA 108 GLU 109 ARG 110 TRP 111 SER 112 PRO 113 VAL 114 GLN 115 SER 116 VAL 117 GLU 118 LYS 119 ILE 120 LEU 121 LEU 122 SER 123 VAL 124 VAL 125 SER 126 MET 127 LEU 128 ALA 129 GLU 130 PRO 131 ASN 132 ASP 133 GLU 134 SER 135 GLY 136 ALA 137 ASN 138 VAL 139 ASP 140 ALA 141 SER 142 LYS 143 MET 144 TRP 145 ARG 146 ASP 147 ASP 148 ARG 149 GLU 150 GLN 151 PHE 152 TYR 153 LYS 154 ILE 155 ALA 156 LYS 157 GLN 158 ILE 159 VAL 160 GLN 161 LYS 162 SER 163 LEU 164 GLY 165 LEU stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date . save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species $Human_Ubquitin_Conjugating_Enzyme_7 human 9606 Eukaryota Metazoa Homo sapien 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 $Human_Ubquitin_Conjugating_Enzyme_7 'recombinant technology' 'E. coli' Escherichia coli . . stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Saveframe_category sample _Sample_type solution _Details '1mM, uniformly 13C, 15N labeled Ubc7, 50mM Tris-HCl buffer, pH 7.5, 2mM TCEP, 0.05% NaN3, 10% D20 (v/v)' loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $Human_Ubquitin_Conjugating_Enzyme_7 1 mM '[U-13C; U-15N]' 'Tris buffer' 50 mM . TCEP 2 mM . NaN3 0.05 % . D2O 10 % . stop_ save_ save_sample_2 _Saveframe_category sample _Sample_type solution _Details '1mM, uniformly 2H, 13C, 15N labeled Ubc7, 50mM Tris-HCl buffer, pH 7.5, 2mM TCEP, 0.05% NaN3, 10% D20 (v/v)' loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $Human_Ubquitin_Conjugating_Enzyme_7 1 mM '[U-2H; U-13C; U-15N]' 'Tris buffer' 10 mM . TCEP 2 mM . NaN3 0.05 % . D2O 10 % . stop_ save_ ############################ # Computer software used # ############################ save_NMRView _Saveframe_category software _Name NMRView _Version . loop_ _Vendor _Address _Electronic_address 'One Moon Scientific, Inc.' . http://onemoonscientific.com/nmrview/ stop_ loop_ _Task 'assignment analysis' stop_ _Details . save_ save_NMRPipe _Saveframe_category software _Name NMRPipe _Version . loop_ _Vendor _Address _Electronic_address NIH . http://spin.niddk.nih.gov/bax/software/NMRPipe/ stop_ loop_ _Task 'data processing' stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_600MHz_spectrometer _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _Field_strength 600 _Details . save_ save_800MHz_spectrometer _Saveframe_category NMR_spectrometer _Manufacturer Varian _Model Inova _Field_strength 800 _Details . save_ ############################# # NMR applied experiments # ############################# save_1H15N_HSQC_1 _Saveframe_category NMR_applied_experiment _Experiment_name '1H15N HSQC' _Sample_label $sample_1 save_ save_HNCO_2 _Saveframe_category NMR_applied_experiment _Experiment_name HNCO _Sample_label $sample_1 save_ save_HNCA_3 _Saveframe_category NMR_applied_experiment _Experiment_name HNCA _Sample_label $sample_1 save_ save_HNCACB_4 _Saveframe_category NMR_applied_experiment _Experiment_name HNCACB _Sample_label $sample_1 save_ save_HN(CA)CO_5 _Saveframe_category NMR_applied_experiment _Experiment_name HN(CA)CO _Sample_label $sample_1 save_ save_HN(CO)CA_6 _Saveframe_category NMR_applied_experiment _Experiment_name HN(CO)CA _Sample_label $sample_1 save_ save_CBCA(CO)NH_7 _Saveframe_category NMR_applied_experiment _Experiment_name CBCA(CO)NH _Sample_label $sample_1 save_ save_HMQC-NOESY-HSQC_8 _Saveframe_category NMR_applied_experiment _Experiment_name HMQC-NOESY-HSQC _Sample_label $sample_1 save_ save_HBHA(CO)NH_9 _Saveframe_category NMR_applied_experiment _Experiment_name HBHA(CO)NH _Sample_label $sample_2 save_ save_H(CCCO)NH-TOCSY_10 _Saveframe_category NMR_applied_experiment _Experiment_name H(CCCO)NH-TOCSY _Sample_label $sample_1 save_ save_CC(CO)NH-TOCSY_11 _Saveframe_category NMR_applied_experiment _Experiment_name CC(CO)NH-TOCSY _Sample_label $sample_2 save_ save_(H)CC(CO)NH-TOCSY_12 _Saveframe_category NMR_applied_experiment _Experiment_name (H)CC(CO)NH-TOCSY _Sample_label $sample_1 save_ save_15N-edited_NOESY-HSQC_13 _Saveframe_category NMR_applied_experiment _Experiment_name 15N-edited_NOESY-HSQC _Sample_label $sample_1 save_ ####################### # Sample conditions # ####################### save_conditions_1 _Saveframe_category sample_conditions _Details '1mM, uniformly 13C, 15N labeled Ubc7, 50mM Tris-HCl buffer, pH 7.5, 2mM TCEP, 0.05% NaN3, 10% D20 (v/v)' loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units 'ionic strength' 50 5 mM pH 7.5 0.1 pH temperature 298 2 K stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_referencing _Saveframe_category chemical_shift_reference _Details ; Referenced 1H to water, used PSSI to reference 13C and 15N PSSI is used to get the chemical shift offsets for the indirect referencing ; 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 water H 1 protons ppm 4.75 internal direct . . . 1.0 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_chem_shift_list_1 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Software_label $NMRView $NMRPipe stop_ loop_ _Experiment_label '1H15N HSQC' HNCO HNCA HNCACB HN(CA)CO HN(CO)CA CBCA(CO)NH HMQC-NOESY-HSQC HBHA(CO)NH H(CCCO)NH-TOCSY CC(CO)NH-TOCSY (H)CC(CO)NH-TOCSY 15N-edited_NOESY-HSQC stop_ loop_ _Sample_label $sample_1 $sample_2 stop_ _Sample_conditions_label $conditions_1 _Chem_shift_reference_set_label $chemical_shift_referencing _Mol_system_component_name Ubc7 _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 3 3 GLY HA2 H 4.10 0.02 1 2 3 3 GLY HA3 H 4.10 0.02 1 3 3 3 GLY C C 175.34 0.02 1 4 3 3 GLY CA C 46.04 0.02 1 5 4 4 THR H H 8.07 0.02 1 6 4 4 THR HA H 4.39 0.02 1 7 4 4 THR HB H 4.05 0.02 1 8 4 4 THR HG2 H 1.28 0.02 1 9 4 4 THR C C 176.46 0.02 1 10 4 4 THR CA C 65.02 0.02 1 11 4 4 THR CB C 68.85 0.02 1 12 4 4 THR CG2 C 21.93 0.02 1 13 4 4 THR N N 115.42 0.02 1 14 5 5 ALA H H 8.42 0.02 1 15 5 5 ALA HA H 4.32 0.02 1 16 5 5 ALA HB H 1.90 0.02 1 17 5 5 ALA C C 179.07 0.02 1 18 5 5 ALA CA C 56.06 0.02 1 19 5 5 ALA CB C 20.02 0.02 1 20 5 5 ALA N N 126.14 0.02 1 21 6 6 LEU H H 8.43 0.02 1 22 6 6 LEU HA H 3.79 0.02 1 23 6 6 LEU HB2 H 1.75 0.02 1 24 6 6 LEU HB3 H 1.75 0.02 1 25 6 6 LEU HG H 1.48 0.02 1 26 6 6 LEU HD1 H 0.84 0.02 1 27 6 6 LEU HD2 H 0.84 0.02 1 28 6 6 LEU C C 178.27 0.02 1 29 6 6 LEU CA C 57.96 0.02 1 30 6 6 LEU CB C 41.63 0.02 1 31 6 6 LEU CG C 26.83 0.02 1 32 6 6 LEU CD1 C 25.33 0.02 2 33 6 6 LEU CD2 C 24.03 0.02 2 34 6 6 LEU N N 117.62 0.02 1 35 7 7 LYS H H 7.85 0.02 1 36 7 7 LYS HA H 3.87 0.02 1 37 7 7 LYS HB2 H 1.87 0.02 1 38 7 7 LYS HB3 H 1.87 0.02 1 39 7 7 LYS HG2 H 1.62 0.02 1 40 7 7 LYS HG3 H 1.62 0.02 1 41 7 7 LYS HD2 H 1.44 0.02 1 42 7 7 LYS HD3 H 1.44 0.02 1 43 7 7 LYS C C 179.77 0.02 1 44 7 7 LYS CA C 59.64 0.02 1 45 7 7 LYS CB C 32.24 0.02 1 46 7 7 LYS CG C 25.4 0.02 1 47 7 7 LYS CD C 29.20 0.02 1 48 7 7 LYS CE C 41.81 0.02 1 49 7 7 LYS N N 117.01 0.02 1 50 8 8 ARG H H 7.88 0.02 1 51 8 8 ARG HA H 4.36 0.02 1 52 8 8 ARG HB2 H 2.26 0.02 1 53 8 8 ARG HB3 H 2.26 0.02 1 54 8 8 ARG C C 177.81 0.02 1 55 8 8 ARG CA C 58.24 0.02 1 56 8 8 ARG CB C 28.95 0.02 1 57 8 8 ARG CG C 29.58 0.02 1 58 8 8 ARG CD C 42.52 0.02 1 59 8 8 ARG N N 120.33 0.02 1 60 9 9 LEU H H 8.76 0.02 1 61 9 9 LEU HA H 4.06 0.02 1 62 9 9 LEU HB2 H 1.80 0.02 1 63 9 9 LEU HB3 H 1.80 0.02 1 64 9 9 LEU HG H 1.25 0.02 1 65 9 9 LEU C C 179.79 0.02 1 66 9 9 LEU CA C 58.60 0.02 1 67 9 9 LEU CB C 42.60 0.02 1 68 9 9 LEU CG C 27.03 0.02 1 69 9 9 LEU CD1 C 23.33 0.02 2 70 9 9 LEU CD2 C 21.27 0.02 2 71 9 9 LEU N N 121.19 0.02 1 72 10 10 MET H H 8.61 0.02 1 73 10 10 MET HA H 4.04 0.02 1 74 10 10 MET HB2 H 1.91 0.02 1 75 10 10 MET HB3 H 1.91 0.02 1 76 10 10 MET HG2 H 2.06 0.02 1 77 10 10 MET HG3 H 2.06 0.02 1 78 10 10 MET HE H 1.35 0.02 1 79 10 10 MET C C 178.85 0.02 1 80 10 10 MET CA C 59.65 0.02 1 81 10 10 MET CB C 32.24 0.02 1 82 10 10 MET CG C 31.29 0.02 1 83 10 10 MET N N 117.85 0.02 1 84 11 11 ALA H H 7.80 0.02 1 85 11 11 ALA HA H 4.23 0.02 1 86 11 11 ALA HB H 1.61 0.02 1 87 11 11 ALA C C 181.36 0.02 1 88 11 11 ALA CA C 55.21 0.02 1 89 11 11 ALA CB C 17.72 0.02 1 90 11 11 ALA N N 123.29 0.02 1 91 12 12 GLU H H 8.99 0.02 1 92 12 12 GLU HA H 4.23 0.02 1 93 12 12 GLU HB2 H 2.40 0.02 1 94 12 12 GLU HB3 H 2.40 0.02 1 95 12 12 GLU HG2 H 2.81 0.02 1 96 12 12 GLU HG3 H 2.81 0.02 1 97 12 12 GLU C C 179.46 0.02 1 98 12 12 GLU CA C 61.28 0.02 1 99 12 12 GLU CB C 30.38 0.02 1 100 12 12 GLU CG C 38.98 0.02 1 101 12 12 GLU N N 119.64 0.02 1 102 13 13 TYR H H 8.89 0.02 1 103 13 13 TYR HA H 4.45 0.02 1 104 13 13 TYR HB2 H 3.45 0.02 2 105 13 13 TYR HB3 H 3.18 0.02 2 106 13 13 TYR C C 177.52 0.02 1 107 13 13 TYR CA C 60.41 0.02 1 108 13 13 TYR CB C 38.20 0.02 1 109 13 13 TYR N N 119.66 0.02 1 110 14 14 LYS H H 8.23 0.02 1 111 14 14 LYS HA H 3.73 0.02 1 112 14 14 LYS HB2 H 1.95 0.02 1 113 14 14 LYS HB3 H 1.95 0.02 1 114 14 14 LYS HG2 H 1.48 0.02 1 115 14 14 LYS HG3 H 1.48 0.02 1 116 14 14 LYS HD2 H 1.68 0.02 1 117 14 14 LYS HD3 H 1.68 0.02 1 118 14 14 LYS HE2 H 2.93 0.02 1 119 14 14 LYS HE3 H 2.93 0.02 1 120 14 14 LYS C C 178.78 0.02 1 121 14 14 LYS CA C 59.22 0.02 1 122 14 14 LYS CB C 31.70 0.02 1 123 14 14 LYS CG C 24.67 0.02 1 124 14 14 LYS CD C 29.02 0.02 1 125 14 14 LYS CE C 42.04 0.02 1 126 14 14 LYS N N 120.35 0.02 1 127 15 15 GLN H H 7.85 0.02 1 128 15 15 GLN HA H 4.03 0.02 1 129 15 15 GLN HB2 H 2.28 0.02 1 130 15 15 GLN HB3 H 2.28 0.02 1 131 15 15 GLN HG2 H 2.56 0.02 1 132 15 15 GLN HG3 H 2.56 0.02 1 133 15 15 GLN C C 178.33 0.02 1 134 15 15 GLN CA C 58.91 0.02 1 135 15 15 GLN CB C 28.05 0.02 1 136 15 15 GLN CG C 33.37 0.02 1 137 15 15 GLN N N 117.72 0.02 1 138 16 16 LEU H H 8.18 0.02 1 139 16 16 LEU HA H 4.09 0.02 1 140 16 16 LEU HB2 H 2.06 0.02 2 141 16 16 LEU HB3 H 1.74 0.02 2 142 16 16 LEU HD1 H 1.07 0.02 1 143 16 16 LEU HD2 H 1.07 0.02 1 144 16 16 LEU C C 178.20 0.02 1 145 16 16 LEU CA C 57.35 0.02 1 146 16 16 LEU CB C 42.31 0.02 1 147 16 16 LEU CG C 27.30 0.02 1 148 16 16 LEU CD1 C 25.74 0.02 2 149 16 16 LEU CD2 C 24.55 0.02 2 150 16 16 LEU N N 120.07 0.02 1 151 17 17 THR H H 7.73 0.02 1 152 17 17 THR HA H 3.96 0.02 1 153 17 17 THR HG2 H 0.91 0.02 1 154 17 17 THR C C 176.31 0.02 1 155 17 17 THR CA C 64.49 0.02 1 156 17 17 THR CB C 69.05 0.02 1 157 17 17 THR CG2 C 21.2 0.02 1 158 17 17 THR N N 109.93 0.02 1 159 18 18 LEU H H 7.61 0.02 1 160 18 18 LEU HA H 4.19 0.02 1 161 18 18 LEU HB2 H 1.70 0.02 2 162 18 18 LEU HB3 H 1.53 0.02 2 163 18 18 LEU HD1 H 0.84 0.02 1 164 18 18 LEU HD2 H 0.84 0.02 1 165 18 18 LEU C C 177.45 0.02 1 166 18 18 LEU CA C 56.59 0.02 1 167 18 18 LEU CB C 42.53 0.02 1 168 18 18 LEU CG C 26.65 0.02 1 169 18 18 LEU CD1 C 24.80 0.02 2 170 18 18 LEU CD2 C 23.13 0.02 2 171 18 18 LEU N N 121.40 0.02 1 172 19 19 ASN H H 7.61 0.02 1 173 19 19 ASN C C 180.37 0.02 1 174 19 19 ASN CA C 50.85 0.02 1 175 19 19 ASN CB C 39.50 0.02 1 176 19 19 ASN N N 114.86 0.02 1 177 21 21 PRO HA H 4.59 0.02 1 178 21 21 PRO HB2 H 2.40 0.02 2 179 21 21 PRO HB3 H 1.82 0.02 2 180 21 21 PRO HG2 H 1.99 0.02 1 181 21 21 PRO HG3 H 1.99 0.02 1 182 21 21 PRO C C 176.27 0.02 1 183 21 21 PRO CA C 61.56 0.02 1 184 21 21 PRO CB C 31.42 0.02 1 185 21 21 PRO CG C 27.18 0.02 1 186 21 21 PRO CD C 50.51 0.02 1 187 22 22 GLU H H 8.56 0.02 1 188 22 22 GLU HA H 4.10 0.02 1 189 22 22 GLU HB2 H 1.96 0.02 1 190 22 22 GLU HB3 H 1.96 0.02 1 191 22 22 GLU HG2 H 2.28 0.02 1 192 22 22 GLU HG3 H 2.28 0.02 1 193 22 22 GLU C C 177.61 0.02 1 194 22 22 GLU CA C 57.31 0.02 1 195 22 22 GLU CB C 29.27 0.02 1 196 22 22 GLU CG C 36.08 0.02 1 197 22 22 GLU N N 121.78 0.02 1 198 23 23 GLY H H 8.57 0.02 1 199 23 23 GLY HA2 H 4.22 0.02 2 200 23 23 GLY HA3 H 3.76 0.02 2 201 23 23 GLY C C 173.13 0.02 1 202 23 23 GLY CA C 45.82 0.02 1 203 23 23 GLY N N 110.47 0.02 1 204 24 24 ILE H H 7.33 0.02 1 205 24 24 ILE HA H 4.89 0.02 1 206 24 24 ILE HB H 1.59 0.02 1 207 24 24 ILE HG2 H 0.81 0.02 4 208 24 24 ILE HD1 H 0.81 0.02 4 209 24 24 ILE C C 174.76 0.02 1 210 24 24 ILE CA C 59.67 0.02 1 211 24 24 ILE CB C 41.96 0.02 1 212 24 24 ILE CG1 C 27.12 0.02 1 213 24 24 ILE CG2 C 19.0 0.02 1 214 24 24 ILE CD1 C 14.31 0.02 1 215 24 24 ILE N N 116.98 0.02 1 216 25 25 VAL H H 8.25 0.02 1 217 25 25 VAL HA H 4.32 0.02 1 218 25 25 VAL HB H 1.95 0.02 1 219 25 25 VAL HG1 H 0.92 0.02 1 220 25 25 VAL HG2 H 0.92 0.02 1 221 25 25 VAL C C 174.87 0.02 1 222 25 25 VAL CA C 61.52 0.02 1 223 25 25 VAL CB C 34.60 0.02 1 224 25 25 VAL CG1 C 20.81 0.02 1 225 25 25 VAL CG2 C 20.81 0.02 1 226 25 25 VAL N N 125.25 0.02 1 227 26 26 ALA H H 8.52 0.02 1 228 26 26 ALA HA H 5.45 0.02 1 229 26 26 ALA HB H 1.39 0.02 1 230 26 26 ALA C C 176.50 0.02 1 231 26 26 ALA CA C 51.46 0.02 1 232 26 26 ALA CB C 22.50 0.02 1 233 26 26 ALA N N 126.67 0.02 1 234 27 27 GLY H H 8.18 0.02 1 235 27 27 GLY HA2 H 3.63 0.02 1 236 27 27 GLY HA3 H 3.63 0.02 1 237 27 27 GLY CA C 45.69 0.02 1 238 27 27 GLY N N 105.73 0.02 1 239 28 28 PRO HA H 4.03 0.02 1 240 28 28 PRO HB2 H 0.97 0.02 1 241 28 28 PRO HB3 H 0.97 0.02 1 242 28 28 PRO HG2 H 0.85 0.02 1 243 28 28 PRO HG3 H 0.85 0.02 1 244 28 28 PRO C C 176.82 0.02 1 245 28 28 PRO CA C 62.1 0.02 1 246 28 28 PRO CB C 31.2 0.02 1 247 28 28 PRO CG C 25.8 0.02 1 248 28 28 PRO CD C 47.7 0.02 1 249 29 29 MET H H 8.34 0.02 1 250 29 29 MET HA H 4.50 0.02 1 251 29 29 MET HB2 H 2.05 0.02 1 252 29 29 MET HB3 H 2.05 0.02 1 253 29 29 MET HG2 H 2.48 0.02 1 254 29 29 MET HG3 H 2.48 0.02 1 255 29 29 MET C C 176.03 0.02 1 256 29 29 MET CA C 55.61 0.02 1 257 29 29 MET CB C 32.28 0.02 1 258 29 29 MET CG C 32.97 0.02 1 259 29 29 MET N N 123.51 0.02 1 260 30 30 ASN H H 8.56 0.02 1 261 30 30 ASN HA H 4.56 0.02 1 262 30 30 ASN HB2 H 2.79 0.02 1 263 30 30 ASN HB3 H 2.79 0.02 1 264 30 30 ASN C C 175.12 0.02 1 265 30 30 ASN CA C 52.41 0.02 1 266 30 30 ASN CB C 40.21 0.02 1 267 30 30 ASN N N 125.40 0.02 1 268 31 31 GLU H H 8.78 0.02 1 269 31 31 GLU HA H 3.53 0.02 1 270 31 31 GLU HB2 H 2.05 0.02 1 271 31 31 GLU HB3 H 2.05 0.02 1 272 31 31 GLU HG2 H 2.23 0.02 1 273 31 31 GLU HG3 H 2.23 0.02 1 274 31 31 GLU C C 175.81 0.02 1 275 31 31 GLU CA C 58.49 0.02 1 276 31 31 GLU CB C 28.92 0.02 1 277 31 31 GLU CG C 36.58 0.02 1 278 31 31 GLU N N 120.60 0.02 1 279 32 32 GLU H H 8.23 0.02 1 280 32 32 GLU HA H 4.28 0.02 1 281 32 32 GLU HB2 H 1.98 0.02 1 282 32 32 GLU HB3 H 1.98 0.02 1 283 32 32 GLU HG2 H 2.23 0.02 1 284 32 32 GLU HG3 H 2.23 0.02 1 285 32 32 GLU C C 176.30 0.02 1 286 32 32 GLU CA C 57.07 0.02 1 287 32 32 GLU CB C 29.91 0.02 1 288 32 32 GLU CG C 36.39 0.02 1 289 32 32 GLU N N 116.16 0.02 1 290 33 33 ASN H H 7.93 0.02 1 291 33 33 ASN HA H 5.23 0.02 1 292 33 33 ASN HB2 H 2.77 0.02 1 293 33 33 ASN HB3 H 2.77 0.02 1 294 33 33 ASN C C 174.83 0.02 1 295 33 33 ASN CA C 51.46 0.02 1 296 33 33 ASN CB C 38.13 0.02 1 297 33 33 ASN N N 116.75 0.02 1 298 34 34 PHE H H 9.43 0.02 1 299 34 34 PHE HA H 3.93 0.02 1 300 34 34 PHE HB2 H 2.77 0.02 1 301 34 34 PHE HB3 H 2.77 0.02 1 302 34 34 PHE C C 174.78 0.02 1 303 34 34 PHE CA C 60.07 0.02 1 304 34 34 PHE CB C 39.55 0.02 1 305 34 34 PHE N N 124.03 0.02 1 306 35 35 PHE H H 8.15 0.02 1 307 35 35 PHE HA H 4.36 0.02 1 308 35 35 PHE HB2 H 3.21 0.02 1 309 35 35 PHE HB3 H 3.21 0.02 1 310 35 35 PHE C C 174.87 0.02 1 311 35 35 PHE CA C 59.40 0.02 1 312 35 35 PHE CB C 38.06 0.02 1 313 35 35 PHE N N 113.17 0.02 1 314 36 36 GLU H H 7.03 0.02 1 315 36 36 GLU HA H 5.48 0.02 1 316 36 36 GLU HB2 H 1.80 0.02 1 317 36 36 GLU HB3 H 1.80 0.02 1 318 36 36 GLU HG2 H 2.16 0.02 1 319 36 36 GLU HG3 H 2.16 0.02 1 320 36 36 GLU C C 174.99 0.02 1 321 36 36 GLU CA C 55.22 0.02 1 322 36 36 GLU CB C 31.65 0.02 1 323 36 36 GLU CG C 35.48 0.02 1 324 36 36 GLU N N 118.90 0.02 1 325 37 37 TRP H H 9.95 0.02 1 326 37 37 TRP HA H 5.33 0.02 1 327 37 37 TRP HB2 H 3.14 0.02 1 328 37 37 TRP HB3 H 3.14 0.02 1 329 37 37 TRP C C 175.15 0.02 1 330 37 37 TRP CA C 54.94 0.02 1 331 37 37 TRP CB C 31.89 0.02 1 332 37 37 TRP N N 126.57 0.02 1 333 38 38 GLU H H 8.64 0.02 1 334 38 38 GLU HA H 5.24 0.02 1 335 38 38 GLU HB2 H 2.04 0.02 1 336 38 38 GLU HB3 H 2.04 0.02 1 337 38 38 GLU C C 174.90 0.02 1 338 38 38 GLU CA C 54.40 0.02 1 339 38 38 GLU CB C 32.44 0.02 1 340 38 38 GLU CG C 36.41 0.02 1 341 38 38 GLU N N 119.28 0.02 1 342 39 39 ALA H H 8.96 0.02 1 343 39 39 ALA HA H 5.45 0.02 1 344 39 39 ALA HB H 1.13 0.02 1 345 39 39 ALA C C 175.14 0.02 1 346 39 39 ALA CA C 49.96 0.02 1 347 39 39 ALA CB C 22.61 0.02 1 348 39 39 ALA N N 124.40 0.02 1 349 40 40 LEU H H 9.05 0.02 1 350 40 40 LEU HA H 4.70 0.02 1 351 40 40 LEU HB2 H 1.56 0.02 1 352 40 40 LEU HB3 H 1.56 0.02 1 353 40 40 LEU HG H 1.33 0.02 1 354 40 40 LEU HD1 H 0.75 0.02 1 355 40 40 LEU HD2 H 0.75 0.02 1 356 40 40 LEU C C 175.16 0.02 1 357 40 40 LEU CA C 54.27 0.02 1 358 40 40 LEU CB C 43.95 0.02 1 359 40 40 LEU CG C 26.8 0.02 1 360 40 40 LEU CD1 C 24.10 0.02 1 361 40 40 LEU CD2 C 24.10 0.02 1 362 40 40 LEU N N 122.55 0.02 1 363 41 41 ILE H H 8.26 0.02 1 364 41 41 ILE HA H 4.51 0.02 1 365 41 41 ILE HB H 2.34 0.02 1 366 41 41 ILE HG2 H 0.84 0.02 4 367 41 41 ILE HD1 H 0.84 0.02 4 368 41 41 ILE C C 174.70 0.02 1 369 41 41 ILE CA C 59.36 0.02 1 370 41 41 ILE CB C 39.65 0.02 1 371 41 41 ILE CG1 C 27.90 0.02 1 372 41 41 ILE CG2 C 18.24 0.02 1 373 41 41 ILE CD1 C 13.20 0.02 1 374 41 41 ILE N N 124.32 0.02 1 375 42 42 MET H H 8.36 0.02 1 376 42 42 MET HA H 4.95 0.02 1 377 42 42 MET HB2 H 2.09 0.02 1 378 42 42 MET HB3 H 2.09 0.02 1 379 42 42 MET HG2 H 2.61 0.02 1 380 42 42 MET HG3 H 2.61 0.02 1 381 42 42 MET C C 177.47 0.02 1 382 42 42 MET CA C 53.85 0.02 1 383 42 42 MET CB C 32.19 0.02 1 384 42 42 MET CG C 32.73 0.02 1 385 42 42 MET N N 126.06 0.02 1 386 43 43 GLY H H 8.71 0.02 1 387 43 43 GLY HA2 H 3.99 0.02 1 388 43 43 GLY HA3 H 3.99 0.02 1 389 43 43 GLY CA C 43.86 0.02 1 390 43 43 GLY N N 109.52 0.02 1 391 44 44 PRO HA H 4.41 0.02 1 392 44 44 PRO HB2 H 2.33 0.02 2 393 44 44 PRO HB3 H 1.95 0.02 2 394 44 44 PRO C C 176.48 0.02 1 395 44 44 PRO CA C 62.58 0.02 1 396 44 44 PRO CB C 31.10 0.02 1 397 44 44 PRO CG C 27.09 0.02 1 398 44 44 PRO CD C 51.66 0.02 1 399 45 45 GLU H H 8.68 0.02 1 400 45 45 GLU HA H 3.76 0.02 1 401 45 45 GLU HB2 H 1.91 0.02 1 402 45 45 GLU HB3 H 1.91 0.02 1 403 45 45 GLU HG2 H 2.26 0.02 1 404 45 45 GLU HG3 H 2.26 0.02 1 405 45 45 GLU C C 175.70 0.02 1 406 45 45 GLU CA C 57.1 0.02 1 407 45 45 GLU CB C 29.91 0.02 1 408 45 45 GLU CG C 36.22 0.02 1 409 45 45 GLU N N 123.71 0.02 1 410 46 46 ASP H H 8.91 0.02 1 411 46 46 ASP HA H 4.27 0.02 1 412 46 46 ASP HB2 H 2.98 0.02 2 413 46 46 ASP HB3 H 2.80 0.02 2 414 46 46 ASP C C 175.15 0.02 1 415 46 46 ASP CA C 55.67 0.02 1 416 46 46 ASP CB C 39.08 0.02 1 417 46 46 ASP N N 117.45 0.02 1 418 47 47 THR H H 7.20 0.02 1 419 47 47 THR HA H 4.96 0.02 1 420 47 47 THR HB H 4.69 0.02 1 421 47 47 THR HG2 H 1.25 0.02 1 422 47 47 THR C C 176.57 0.02 1 423 47 47 THR CA C 60.11 0.02 1 424 47 47 THR CB C 74.55 0.02 1 425 47 47 THR CG2 C 21.59 0.02 1 426 47 47 THR N N 105.12 0.02 1 427 48 48 CYS H H 9.24 0.02 1 428 48 48 CYS HA H 3.59 0.02 1 429 48 48 CYS HB2 H 2.90 0.02 1 430 48 48 CYS HB3 H 2.90 0.02 1 431 48 48 CYS C C 173.82 0.02 1 432 48 48 CYS CA C 59.36 0.02 1 433 48 48 CYS CB C 27.26 0.02 1 434 48 48 CYS N N 117.55 0.02 1 435 49 49 PHE H H 7.75 0.02 1 436 49 49 PHE HA H 3.76 0.02 1 437 49 49 PHE HB2 H 2.49 0.02 1 438 49 49 PHE HB3 H 2.49 0.02 1 439 49 49 PHE C C 173.98 0.02 1 440 49 49 PHE CA C 57.98 0.02 1 441 49 49 PHE CB C 39.40 0.02 1 442 49 49 PHE N N 117.55 0.02 1 443 50 50 GLU H H 7.30 0.02 1 444 50 50 GLU HA H 3.32 0.02 1 445 50 50 GLU HB2 H 1.81 0.02 1 446 50 50 GLU HB3 H 1.81 0.02 1 447 50 50 GLU HG2 H 1.53 0.02 1 448 50 50 GLU HG3 H 1.53 0.02 1 449 50 50 GLU C C 174.83 0.02 1 450 50 50 GLU CA C 57.47 0.02 1 451 50 50 GLU CB C 29.54 0.02 1 452 50 50 GLU CG C 34.32 0.02 1 453 50 50 GLU N N 121.86 0.02 1 454 51 51 PHE H H 8.30 0.02 1 455 51 51 PHE HA H 4.14 0.02 1 456 51 51 PHE HB2 H 3.53 0.02 2 457 51 51 PHE HB3 H 3.27 0.02 2 458 51 51 PHE C C 175.51 0.02 1 459 51 51 PHE CA C 59.83 0.02 1 460 51 51 PHE CB C 36.25 0.02 1 461 51 51 PHE N N 114.46 0.02 1 462 52 52 GLY H H 7.99 0.02 1 463 52 52 GLY HA2 H 3.65 0.02 2 464 52 52 GLY HA3 H 3.23 0.02 2 465 52 52 GLY C C 181.61 0.02 1 466 52 52 GLY CA C 45.82 0.02 1 467 52 52 GLY N N 103.94 0.02 1 468 53 53 VAL H H 7.14 0.02 1 469 53 53 VAL HA H 4.00 0.02 1 470 53 53 VAL HB H 1.74 0.02 1 471 53 53 VAL HG1 H 0.76 0.02 1 472 53 53 VAL HG2 H 0.76 0.02 1 473 53 53 VAL C C 174.63 0.02 1 474 53 53 VAL CA C 61.91 0.02 1 475 53 53 VAL CB C 33.08 0.02 1 476 53 53 VAL CG1 C 21.33 0.02 2 477 53 53 VAL CG2 C 20.56 0.02 2 478 53 53 VAL N N 123.48 0.02 1 479 54 54 PHE H H 8.84 0.02 1 480 54 54 PHE C C 173.59 0.02 1 481 54 54 PHE CA C 53.27 0.02 1 482 54 54 PHE CB C 40.81 0.02 1 483 54 54 PHE N N 127.28 0.02 1 484 55 55 PRO HA H 5.33 0.02 1 485 55 55 PRO HB2 H 2.16 0.02 1 486 55 55 PRO HB3 H 2.16 0.02 1 487 55 55 PRO C C 175.91 0.02 1 488 55 55 PRO CA C 61.60 0.02 1 489 55 55 PRO CB C 32.47 0.02 1 490 55 55 PRO CG C 27.50 0.02 1 491 55 55 PRO CD C 52.19 0.02 1 492 56 56 ALA H H 9.06 0.02 1 493 56 56 ALA HA H 5.14 0.02 1 494 56 56 ALA HB H 0.55 0.02 1 495 56 56 ALA C C 175.80 0.02 1 496 56 56 ALA CA C 50.03 0.02 1 497 56 56 ALA CB C 24.02 0.02 1 498 56 56 ALA N N 121.68 0.02 1 499 57 57 ILE H H 8.75 0.02 1 500 57 57 ILE HA H 5.05 0.02 1 501 57 57 ILE HB H 1.59 0.02 1 502 57 57 ILE HG2 H 0.87 0.02 4 503 57 57 ILE HD1 H 0.87 0.02 4 504 57 57 ILE C C 176.32 0.02 1 505 57 57 ILE CA C 58.95 0.02 1 506 57 57 ILE CB C 40.90 0.02 1 507 57 57 ILE CG1 C 27.1 0.02 1 508 57 57 ILE CG2 C 17.2 0.02 1 509 57 57 ILE CD1 C 12.8 0.02 1 510 57 57 ILE N N 118.77 0.02 1 511 58 58 LEU H H 8.94 0.02 1 512 58 58 LEU HA H 4.94 0.02 1 513 58 58 LEU HB2 H 1.67 0.02 1 514 58 58 LEU HB3 H 1.67 0.02 1 515 58 58 LEU HG H 1.22 0.02 1 516 58 58 LEU HD1 H 0.67 0.02 1 517 58 58 LEU HD2 H 0.67 0.02 1 518 58 58 LEU C C 173.99 0.02 1 519 58 58 LEU CA C 53.96 0.02 1 520 58 58 LEU CB C 45.26 0.02 1 521 58 58 LEU CG C 28.2 0.02 1 522 58 58 LEU CD1 C 25.3 0.02 1 523 58 58 LEU CD2 C 25.3 0.02 1 524 58 58 LEU N N 128.10 0.02 1 525 59 59 SER H H 8.40 0.02 1 526 59 59 SER HA H 5.05 0.02 1 527 59 59 SER HB2 H 3.82 0.02 2 528 59 59 SER HB3 H 3.40 0.02 2 529 59 59 SER C C 174.40 0.02 1 530 59 59 SER CA C 56.06 0.02 1 531 59 59 SER CB C 63.48 0.02 1 532 59 59 SER N N 117.94 0.02 1 533 60 60 PHE H H 9.36 0.02 1 534 60 60 PHE HB2 H 2.86 0.02 1 535 60 60 PHE HB3 H 2.86 0.02 1 536 60 60 PHE C C 172.66 0.02 1 537 60 60 PHE CA C 56.20 0.02 1 538 60 60 PHE CB C 39.97 0.02 1 539 60 60 PHE N N 126.49 0.02 1 540 61 61 PRO HA H 4.69 0.02 1 541 61 61 PRO HB2 H 2.28 0.02 1 542 61 61 PRO HB3 H 2.28 0.02 1 543 61 61 PRO HG2 H 2.04 0.02 1 544 61 61 PRO HG3 H 2.04 0.02 1 545 61 61 PRO C C 176.95 0.02 1 546 61 61 PRO CA C 61.45 0.02 1 547 61 61 PRO CB C 32.50 0.02 1 548 61 61 PRO CG C 27.28 0.02 1 549 61 61 PRO CD C 50.75 0.02 1 550 62 62 LEU H H 8.36 0.02 1 551 62 62 LEU HA H 3.96 0.02 1 552 62 62 LEU HB2 H 1.49 0.02 1 553 62 62 LEU HB3 H 1.49 0.02 1 554 62 62 LEU HG H 0.74 0.02 1 555 62 62 LEU HD1 H 0.39 0.02 1 556 62 62 LEU HD2 H 0.39 0.02 1 557 62 62 LEU C C 176.61 0.02 1 558 62 62 LEU CA C 56.76 0.02 1 559 62 62 LEU CB C 41.42 0.02 1 560 62 62 LEU CG C 26.95 0.02 1 561 62 62 LEU CD1 C 24.64 0.02 2 562 62 62 LEU CD2 C 22.46 0.02 2 563 62 62 LEU N N 117.21 0.02 1 564 63 63 ASP H H 8.20 0.02 1 565 63 63 ASP HA H 4.69 0.02 1 566 63 63 ASP HB2 H 3.01 0.02 2 567 63 63 ASP HB3 H 2.40 0.02 2 568 63 63 ASP C C 176.68 0.02 1 569 63 63 ASP CA C 51.88 0.02 1 570 63 63 ASP CB C 39.35 0.02 1 571 63 63 ASP N N 112.04 0.02 1 572 64 64 TYR H H 7.73 0.02 1 573 64 64 TYR C C 173.83 0.02 1 574 64 64 TYR CA C 58.50 0.02 1 575 64 64 TYR CB C 39.52 0.02 1 576 64 64 TYR N N 124.45 0.02 1 577 65 65 PRO HA H 3.87 0.02 1 578 65 65 PRO HB2 H 0.86 0.02 1 579 65 65 PRO HB3 H 0.86 0.02 1 580 65 65 PRO C C 175.44 0.02 1 581 65 65 PRO CA C 63.41 0.02 1 582 65 65 PRO CB C 32.85 0.02 1 583 65 65 PRO CG C 24.62 0.02 1 584 65 65 PRO CD C 48.75 0.02 1 585 66 66 LEU H H 9.57 0.02 1 586 66 66 LEU HA H 4.14 0.02 1 587 66 66 LEU HB2 H 1.99 0.02 1 588 66 66 LEU HB3 H 1.60 0.02 1 589 66 66 LEU HG H 0.92 0.02 4 590 66 66 LEU HD1 H 0.92 0.02 4 591 66 66 LEU HD2 H 0.92 0.02 4 592 66 66 LEU C C 177.53 0.02 1 593 66 66 LEU CA C 57.76 0.02 1 594 66 66 LEU CB C 40.65 0.02 1 595 66 66 LEU CG C 27.36 0.02 1 596 66 66 LEU CD1 C 25.09 0.02 2 597 66 66 LEU CD2 C 22.52 0.02 2 598 66 66 LEU N N 126.54 0.02 1 599 67 67 SER H H 6.71 0.02 1 600 67 67 SER HA H 4.56 0.02 1 601 67 67 SER CA C 55.51 0.02 1 602 67 67 SER CB C 63.71 0.02 1 603 67 67 SER N N 112.72 0.02 1 604 69 69 PRO HA H 4.42 0.02 1 605 69 69 PRO HB2 H 0.67 0.02 1 606 69 69 PRO HB3 H 0.67 0.02 1 607 69 69 PRO HG2 H 1.10 0.02 1 608 69 69 PRO HG3 H 1.10 0.02 1 609 69 69 PRO C C 175.08 0.02 1 610 69 69 PRO CA C 61.02 0.02 1 611 69 69 PRO CB C 31.07 0.02 1 612 69 69 PRO CG C 26.26 0.02 1 613 69 69 PRO CD C 48.16 0.02 1 614 70 70 LYS H H 7.74 0.02 1 615 70 70 LYS HA H 4.23 0.02 1 616 70 70 LYS HB2 H 1.77 0.02 2 617 70 70 LYS HB3 H 1.49 0.02 2 618 70 70 LYS HG2 H 1.33 0.02 1 619 70 70 LYS HG3 H 1.33 . 1 620 70 70 LYS C C 175.15 0.02 1 621 70 70 LYS CA C 54.80 0.02 1 622 70 70 LYS CB C 34.55 0.02 1 623 70 70 LYS CG C 24.85 0.02 1 624 70 70 LYS CD C 28.91 0.02 1 625 70 70 LYS CE C 42.01 0.02 1 626 70 70 LYS N N 116.15 0.02 1 627 71 71 MET H H 8.71 0.02 1 628 71 71 MET HA H 5.24 0.02 1 629 71 71 MET HB2 H 1.21 0.02 1 630 71 71 MET HB3 H 1.21 0.02 1 631 71 71 MET HG2 H 1.57 0.02 1 632 71 71 MET HG3 H 1.57 0.02 1 633 71 71 MET C C 173.24 0.02 1 634 71 71 MET CA C 54.3 0.02 1 635 71 71 MET CB C 35.84 0.02 1 636 71 71 MET CG C 33.03 0.02 1 637 71 71 MET N N 122.64 0.02 1 638 72 72 ARG H H 8.50 0.02 1 639 72 72 ARG HA H 5.04 0.02 1 640 72 72 ARG HB2 H 1.50 0.02 1 641 72 72 ARG HB3 H 1.50 0.02 1 642 72 72 ARG HG2 H 1.17 0.02 1 643 72 72 ARG HG3 H 1.17 0.02 1 644 72 72 ARG HD2 H 3.06 0.02 1 645 72 72 ARG HD3 H 3.06 0.02 1 646 72 72 ARG C C 175.30 0.02 1 647 72 72 ARG CA C 53.63 0.02 1 648 72 72 ARG CB C 33.67 0.02 1 649 72 72 ARG CG C 26.69 0.02 1 650 72 72 ARG CD C 43.24 0.02 1 651 72 72 ARG N N 125.65 0.02 1 652 73 73 PHE H H 9.07 0.02 1 653 73 73 PHE HA H 4.96 0.02 1 654 73 73 PHE HB2 H 3.41 0.02 2 655 73 73 PHE HB3 H 2.84 0.02 2 656 73 73 PHE C C 174.16 0.02 1 657 73 73 PHE CA C 59.90 0.02 1 658 73 73 PHE CB C 40.47 0.02 1 659 73 73 PHE N N 124.05 0.02 1 660 74 74 THR H H 9.04 0.02 1 661 74 74 THR HA H 4.50 0.02 1 662 74 74 THR HG2 H 1.08 0.02 1 663 74 74 THR C C 174.16 0.02 1 664 74 74 THR CA C 61.27 0.02 1 665 74 74 THR CB C 67.4 0.02 1 666 74 74 THR CG2 C 21.89 0.02 1 667 74 74 THR N N 112.00 0.02 1 668 75 75 CYS H H 7.51 0.02 1 669 75 75 CYS HA H 5.03 0.02 1 670 75 75 CYS HB2 H 3.72 0.02 1 671 75 75 CYS HB3 H 3.72 0.02 1 672 75 75 CYS C C 173.07 0.02 1 673 75 75 CYS CA C 53.09 0.02 1 674 75 75 CYS CB C 31.61 0.02 1 675 75 75 CYS N N 116.41 0.02 1 676 76 76 GLU H H 8.59 0.02 1 677 76 76 GLU HA H 4.14 0.02 1 678 76 76 GLU HB2 H 1.90 0.02 1 679 76 76 GLU HB3 H 1.90 0.02 1 680 76 76 GLU HG2 H 2.16 0.02 1 681 76 76 GLU HG3 H 2.16 0.02 1 682 76 76 GLU C C 176.22 0.02 1 683 76 76 GLU CA C 57.55 0.02 1 684 76 76 GLU CB C 29.51 0.02 1 685 76 76 GLU CG C 36.31 0.02 1 686 76 76 GLU N N 122.38 0.02 1 687 77 77 MET H H 8.32 0.02 1 688 77 77 MET HA H 4.68 0.02 1 689 77 77 MET HB2 H 1.825 0.02 1 690 77 77 MET HB3 H 1.41 0.02 1 691 77 77 MET C C 174.21 0.02 1 692 77 77 MET CA C 52.88 0.02 1 693 77 77 MET CB C 36.41 0.02 1 694 77 77 MET CG C 32.4 0.02 1 695 77 77 MET N N 121.48 0.02 1 696 78 78 PHE H H 7.36 0.02 1 697 78 78 PHE HA H 4.56 0.02 1 698 78 78 PHE HB2 H 2.83 0.02 1 699 78 78 PHE HB3 H 2.83 0.02 1 700 78 78 PHE C C 180.82 0.02 1 701 78 78 PHE CA C 58.4 0.02 1 702 78 78 PHE CB C 39.7 0.02 1 703 78 78 PHE N N 121.35 0.02 1 704 79 79 HIS H H 8.81 0.02 1 705 79 79 HIS C C 173.29 0.02 1 706 79 79 HIS CA C 55.27 0.02 1 707 79 79 HIS CB C 34.57 0.02 1 708 79 79 HIS N N 124.39 0.02 1 709 80 80 PRO HA H 3.96 0.02 1 710 80 80 PRO HB2 H 1.50 0.02 1 711 80 80 PRO HB3 H 1.50 0.02 1 712 80 80 PRO HG2 H 2.32 0.02 1 713 80 80 PRO HG3 H 2.32 0.02 1 714 80 80 PRO HD2 H 3.06 0.02 1 715 80 80 PRO HD3 H 3.06 0.02 1 716 80 80 PRO C C 176.02 0.02 1 717 80 80 PRO CA C 65.89 0.02 1 718 80 80 PRO CB C 33.13 0.02 1 719 80 80 PRO CG C 25.72 0.02 1 720 80 80 PRO CD C 50.06 0.02 1 721 81 81 ASN H H 11.02 0.02 1 722 81 81 ASN HA H 5.00 0.02 1 723 81 81 ASN HB2 H 3.58 0.02 2 724 81 81 ASN HB3 H 2.58 0.02 2 725 81 81 ASN C C 172.20 0.02 1 726 81 81 ASN CA C 53.0 0.02 1 727 81 81 ASN CB C 40.3 0.02 1 728 81 81 ASN N N 114.82 0.02 1 729 82 82 ILE H H 7.49 0.02 1 730 82 82 ILE HA H 4.59 0.02 1 731 82 82 ILE HB H 1.52 0.02 1 732 82 82 ILE HG2 H 0.92 0.02 4 733 82 82 ILE HD1 H 0.92 0.02 4 734 82 82 ILE C C 176.02 0.02 1 735 82 82 ILE CA C 59.63 0.02 1 736 82 82 ILE CB C 39.76 0.02 1 737 82 82 ILE CG1 C 27.39 0.02 1 738 82 82 ILE CG2 C 17.3 0.02 1 739 82 82 ILE CD1 C 14.0 0.02 1 740 82 82 ILE N N 119.23 0.02 1 741 83 83 TYR H H 9.33 0.02 1 742 83 83 TYR HA H 4.63 0.02 1 743 83 83 TYR HB2 H 3.1 0.02 1 744 83 83 TYR HB3 H 3.1 0.02 1 745 83 83 TYR C C 176.85 0.02 1 746 83 83 TYR CA C 59.24 0.02 1 747 83 83 TYR CB C 38.26 0.02 1 748 83 83 TYR N N 125.80 0.02 1 749 84 84 PRO HA H 4.57 0.02 1 750 84 84 PRO HB2 H 2.52 0.02 1 751 84 84 PRO HB3 H 2.13 0.02 1 752 84 84 PRO C C 176.16 0.02 1 753 84 84 PRO CA C 65.6 0.02 1 754 84 84 PRO CB C 31.8 0.02 1 755 84 84 PRO CG C 28.1 0.02 1 756 84 84 PRO CD C 50.7 0.02 1 757 85 85 ASP H H 7.49 0.02 1 758 85 85 ASP HA H 4.59 0.02 1 759 85 85 ASP HB2 H 3.07 0.02 2 760 85 85 ASP HB3 H 2.60 0.02 2 761 85 85 ASP C C 176.7 0.02 1 762 85 85 ASP CA C 53.39 0.02 1 763 85 85 ASP CB C 39.97 0.02 1 764 85 85 ASP N N 112.93 0.02 1 765 86 86 GLY H H 8.71 0.02 1 766 86 86 GLY HA2 H 4.90 0.02 2 767 86 86 GLY HA3 H 3.60 0.02 2 768 86 86 GLY C C 175.80 0.02 1 769 86 86 GLY CA C 45.2 0.02 1 770 86 86 GLY N N 108.65 0.02 1 771 87 87 ARG H H 8.03 0.02 1 772 87 87 ARG HA H 4.49 0.02 1 773 87 87 ARG HB2 H 2.07 0.02 1 774 87 87 ARG HB3 H 2.07 0.02 1 775 87 87 ARG HG2 H 1.60 0.02 1 776 87 87 ARG HG3 H 1.60 0.02 1 777 87 87 ARG HD2 H 3.2 0.02 1 778 87 87 ARG HD3 H 3.2 0.02 1 779 87 87 ARG C C 175.81 0.02 1 780 87 87 ARG CA C 57.84 0.02 1 781 87 87 ARG CB C 30.77 0.02 1 782 87 87 ARG CG C 27.8 0.02 1 783 87 87 ARG CD C 43.1 0.02 1 784 87 87 ARG N N 121.39 0.02 1 785 88 88 VAL H H 8.18 0.02 1 786 88 88 VAL HA H 3.87 0.02 1 787 88 88 VAL HB H 1.65 0.02 1 788 88 88 VAL HG1 H 0.82 0.02 1 789 88 88 VAL HG2 H 0.82 0.02 1 790 88 88 VAL C C 175.0 0.02 1 791 88 88 VAL CA C 63.66 0.02 1 792 88 88 VAL CB C 33.18 0.02 1 793 88 88 VAL CG1 C 22.87 0.02 1 794 88 88 VAL CG2 C 22.87 0.02 1 795 88 88 VAL N N 123.17 0.02 1 796 89 89 CYS H H 8.64 0.02 1 797 89 89 CYS HA H 4.87 0.02 1 798 89 89 CYS HB2 H 2.39 0.02 1 799 89 89 CYS HB3 H 2.39 0.02 1 800 89 89 CYS C C 181.68 0.02 1 801 89 89 CYS CA C 58.1 0.02 1 802 89 89 CYS CB C 27.1 0.02 1 803 89 89 CYS N N 130.75 0.02 1 804 90 90 ILE H H 6.98 0.02 1 805 90 90 ILE HA H 4.83 0.02 1 806 90 90 ILE HB H 2.1 0.02 1 807 90 90 ILE HG2 H 0.81 0.02 1 808 90 90 ILE HD1 H 0.81 0.02 1 809 90 90 ILE C C 177.04 0.02 1 810 90 90 ILE CA C 59.42 0.02 1 811 90 90 ILE CB C 41.1 0.02 1 812 90 90 ILE CG1 C 25.0 0.02 1 813 90 90 ILE CG2 C 18.6 0.02 1 814 90 90 ILE N N 116.75 0.02 1 815 91 91 SER H H 8.82 0.02 1 816 91 91 SER HA H 4.30 0.02 1 817 91 91 SER HB2 H 2.39 0.02 1 818 91 91 SER HB3 H 2.39 0.02 1 819 91 91 SER C C 176.72 0.02 1 820 91 91 SER CA C 59.34 0.02 1 821 91 91 SER CB C 62.18 0.02 1 822 91 91 SER N N 121.69 0.02 1 823 92 92 ILE H H 7.71 0.02 1 824 92 92 ILE HA H 4.01 0.02 1 825 92 92 ILE HB H 1.86 0.02 1 826 92 92 ILE HG2 H 0.80 0.02 1 827 92 92 ILE HD1 H 0.80 0.02 1 828 92 92 ILE C C 172.81 0.02 1 829 92 92 ILE CA C 63.57 0.02 1 830 92 92 ILE CB C 38.34 0.02 1 831 92 92 ILE CG1 C 28.1 0.02 1 832 92 92 ILE CG2 C 17.2 0.02 1 833 92 92 ILE CD1 C 13.86 0.02 1 834 92 92 ILE N N 117.83 0.02 1 835 93 93 LEU H H 7.09 0.02 1 836 93 93 LEU HA H 4.55 0.02 1 837 93 93 LEU HB2 H 1.74 0.02 1 838 93 93 LEU HB3 H 1.74 0.02 1 839 93 93 LEU HG H 1.40 0.02 1 840 93 93 LEU HD1 H 0.68 0.02 1 841 93 93 LEU HD2 H 0.68 0.02 1 842 93 93 LEU C C 176.29 0.02 1 843 93 93 LEU CA C 52.98 0.02 1 844 93 93 LEU CB C 41.28 0.02 1 845 93 93 LEU CG C 26.2 0.02 1 846 93 93 LEU CD1 C 22.5 0.02 1 847 93 93 LEU CD2 C 22.5 0.02 1 848 93 93 LEU N N 113.7 0.02 1 849 94 94 HIS H H 7.94 0.02 1 850 94 94 HIS HA H 4.72 0.02 1 851 94 94 HIS HB2 H 3.21 0.02 1 852 94 94 HIS HB3 H 3.21 0.02 1 853 94 94 HIS C C 174.76 0.02 1 854 94 94 HIS CA C 55.7 0.02 1 855 94 94 HIS CB C 31.0 0.02 1 856 94 94 HIS N N 119.85 0.02 1 857 95 95 ALA H H 8.88 0.02 1 858 95 95 ALA HB H 1.38 0.02 1 859 95 95 ALA C C 175.54 0.02 1 860 95 95 ALA CA C 50.16 0.02 1 861 95 95 ALA CB C 18.22 0.02 1 862 95 95 ALA N N 128.9 0.02 1 863 96 96 PRO HA H 4.32 0.02 1 864 96 96 PRO HB2 H 2.32 0.02 2 865 96 96 PRO HB3 H 1.99 0.02 2 866 96 96 PRO C C 177.38 0.02 1 867 96 96 PRO CA C 64.2 0.02 1 868 96 96 PRO CB C 31.5 0.02 1 869 96 96 PRO CG C 27.7 0.02 1 870 96 96 PRO CD C 50.4 0.02 1 871 97 97 GLY H H 8.57 0.02 1 872 97 97 GLY HA2 H 3.96 0.02 1 873 97 97 GLY HA3 H 3.96 0.02 1 874 97 97 GLY C C 174.18 0.02 1 875 97 97 GLY CA C 44.88 0.02 1 876 97 97 GLY N N 109.46 0.02 1 877 98 98 ASP H H 7.95 0.02 1 878 98 98 ASP HA H 4.61 0.02 1 879 98 98 ASP HB2 H 2.62 0.02 1 880 98 98 ASP HB3 H 2.62 0.02 1 881 98 98 ASP C C 175.83 0.02 1 882 98 98 ASP CA C 53.96 0.02 1 883 98 98 ASP CB C 41.0 0.02 1 884 98 98 ASP N N 120.81 0.02 1 885 99 99 ASP H H 8.30 0.02 1 886 99 99 ASP HB2 H 2.71 0.02 1 887 99 99 ASP HB3 H 2.71 0.02 1 888 99 99 ASP C C 174.75 0.02 1 889 99 99 ASP CA C 52.99 0.02 1 890 99 99 ASP CB C 41.0 0.02 1 891 99 99 ASP N N 121.5 0.02 1 892 100 100 PRO HA H 4.32 0.02 1 893 100 100 PRO HB2 H 2.16 0.02 1 894 100 100 PRO HB3 H 1.90 0.02 1 895 100 100 PRO HD2 H 3.71 0.02 1 896 100 100 PRO HD3 H 3.71 0.02 1 897 100 100 PRO C C 177.04 0.02 1 898 100 100 PRO CA C 63.5 0.02 1 899 100 100 PRO CB C 31.7 0.02 1 900 100 100 PRO CG C 27.1 0.02 1 901 100 100 PRO CD C 50.4 0.02 1 902 101 101 MET H H 8.29 0.02 1 903 101 101 MET HA H 4.35 0.02 1 904 101 101 MET HB2 H 1.84 0.02 1 905 101 101 MET HB3 H 1.84 0.02 1 906 101 101 MET HG2 H 2.4 0.02 1 907 101 101 MET HG3 H 2.4 0.02 1 908 101 101 MET C C 176.6 0.02 1 909 101 101 MET CA C 55.14 0.02 1 910 101 101 MET CB C 32.0 0.02 1 911 101 101 MET CG C 32.2 0.02 1 912 101 101 MET N N 118.47 0.02 1 913 102 102 GLY H H 8.16 0.02 1 914 102 102 GLY HA2 H 3.81 0.02 1 915 102 102 GLY HA3 H 3.81 0.02 1 916 102 102 GLY C C 173.97 0.02 1 917 102 102 GLY CA C 45.34 0.02 1 918 102 102 GLY N N 109.1 0.02 1 919 103 103 TYR H H 7.67 0.02 1 920 103 103 TYR HA H 4.51 0.02 1 921 103 103 TYR HB2 H 2.96 0.02 2 922 103 103 TYR HB3 H 2.81 0.02 2 923 103 103 TYR C C 175.88 0.02 1 924 103 103 TYR CA C 57.61 0.02 1 925 103 103 TYR CB C 38.64 0.02 1 926 103 103 TYR N N 119.02 0.02 1 927 104 104 GLU H H 8.63 0.02 1 928 104 104 GLU HA H 4.24 0.02 1 929 104 104 GLU HB2 H 2.00 0.02 1 930 104 104 GLU HB3 H 2.00 0.02 1 931 104 104 GLU HG2 H 2.24 0.02 1 932 104 104 GLU HG3 H 2.24 0.02 1 933 104 104 GLU C C 177.03 0.02 1 934 104 104 GLU CA C 56.8 0.02 1 935 104 104 GLU CB C 30.1 0.02 1 936 104 104 GLU CG C 36.4 0.02 1 937 104 104 GLU N N 122.52 0.02 1 938 105 105 SER H H 8.40 0.02 1 939 105 105 SER HA H 4.32 0.02 1 940 105 105 SER HB2 H 3.86 0.02 1 941 105 105 SER HB3 H 3.86 0.02 1 942 105 105 SER C C 174.93 0.02 1 943 105 105 SER CA C 56.7 0.02 1 944 105 105 SER CB C 63.5 0.02 1 945 105 105 SER N N 116.63 0.02 1 946 106 106 SER H H 8.22 0.02 1 947 106 106 SER HA H 4.41 0.02 1 948 106 106 SER HB2 H 3.90 0.02 1 949 106 106 SER HB3 H 3.90 0.02 1 950 106 106 SER C C 174.26 0.02 1 951 106 106 SER CA C 58.17 0.02 1 952 106 106 SER CB C 63.28 0.02 1 953 106 106 SER N N 116.7 0.02 1 954 107 107 ALA H H 7.87 0.02 1 955 107 107 ALA HA H 4.25 0.02 1 956 107 107 ALA HB H 1.40 0.02 1 957 107 107 ALA C C 177.42 0.02 1 958 107 107 ALA CA C 52.41 0.02 1 959 107 107 ALA CB C 19.15 0.02 1 960 107 107 ALA N N 125.81 0.02 1 961 108 108 GLU H H 8.35 0.02 1 962 108 108 GLU HA H 4.08 0.02 1 963 108 108 GLU HB2 H 1.83 0.02 1 964 108 108 GLU HB3 H 1.83 0.02 1 965 108 108 GLU HG2 H 2.21 0.02 1 966 108 108 GLU HG3 H 2.21 0.02 1 967 108 108 GLU C C 175.88 0.02 1 968 108 108 GLU CA C 56.76 0.02 1 969 108 108 GLU CB C 30.0 0.02 1 970 108 108 GLU CG C 36.1 0.02 1 971 108 108 GLU N N 120.91 0.02 1 972 109 109 ARG H H 8.10 0.02 1 973 109 109 ARG HA H 4.88 0.02 1 974 109 109 ARG HB2 H 2.08 0.02 1 975 109 109 ARG HB3 H 2.08 0.02 1 976 109 109 ARG HG2 H 1.67 0.02 1 977 109 109 ARG HG3 H 1.67 0.02 1 978 109 109 ARG HD2 H 3.13 0.02 1 979 109 109 ARG HD3 H 3.13 0.02 1 980 109 109 ARG C C 175.80 0.02 1 981 109 109 ARG CA C 53.3 0.02 1 982 109 109 ARG CB C 32.45 0.02 1 983 109 109 ARG CG C 27.3 0.02 1 984 109 109 ARG CD C 42.9 0.02 1 985 109 109 ARG N N 121.78 0.02 1 986 110 110 TRP H H 8.72 0.02 1 987 110 110 TRP HA H 4.21 0.02 1 988 110 110 TRP HB2 H 2.75 0.02 1 989 110 110 TRP HB3 H 2.75 0.02 1 990 110 110 TRP C C 176.56 0.02 1 991 110 110 TRP CA C 59.9 0.02 1 992 110 110 TRP CB C 29.4 0.02 1 993 110 110 TRP N N 121.17 0.02 1 994 111 111 SER H H 5.70 0.02 1 995 111 111 SER HA H 4.18 0.02 1 996 111 111 SER HB2 H 1.98 0.02 1 997 111 111 SER HB3 H 1.98 0.02 1 998 111 111 SER CA C 56.77 0.02 1 999 111 111 SER CB C 63.26 0.02 1 1000 111 111 SER N N 119.56 0.02 1 1001 112 112 PRO HA H 4.27 0.02 1 1002 112 112 PRO HB2 H 2.09 0.02 2 1003 112 112 PRO HB3 H 1.84 0.02 2 1004 112 112 PRO C C 175.86 0.02 1 1005 112 112 PRO CA C 64.37 0.02 1 1006 112 112 PRO CB C 31.91 0.02 1 1007 112 112 PRO CG C 27.72 0.02 1 1008 112 112 PRO CD C 50.75 0.02 1 1009 113 113 VAL H H 6.71 0.02 1 1010 113 113 VAL HA H 4.22 0.02 1 1011 113 113 VAL HB H 2.12 0.02 1 1012 113 113 VAL HG1 H 0.71 0.02 1 1013 113 113 VAL HG2 H 0.71 0.02 1 1014 113 113 VAL C C 177.56 0.02 1 1015 113 113 VAL CA C 61.55 0.02 1 1016 113 113 VAL CB C 30.70 0.02 1 1017 113 113 VAL CG1 C 20.88 0.02 2 1018 113 113 VAL CG2 C 19.39 0.02 2 1019 113 113 VAL N N 109.52 0.02 1 1020 114 114 GLN H H 7.05 0.02 1 1021 114 114 GLN HA H 4.49 0.02 1 1022 114 114 GLN HB2 H 0.59 0.02 1 1023 114 114 GLN HB3 H 0.59 0.02 1 1024 114 114 GLN HG2 H 2.03 0.02 1 1025 114 114 GLN HG3 H 2.03 0.02 1 1026 114 114 GLN C C 172.57 0.02 1 1027 114 114 GLN CA C 54.28 0.02 1 1028 114 114 GLN CB C 27.45 0.02 1 1029 114 114 GLN CG C 31.08 0.02 1 1030 114 114 GLN N N 119.2 0.02 1 1031 115 115 SER H H 6.72 0.02 1 1032 115 115 SER HA H 4.94 0.02 1 1033 115 115 SER HB2 H 4.42 0.02 2 1034 115 115 SER HB3 H 3.86 0.02 2 1035 115 115 SER C C 174.36 0.02 1 1036 115 115 SER CA C 56.13 0.02 1 1037 115 115 SER CB C 66.21 0.02 1 1038 115 115 SER N N 107.79 0.02 1 1039 116 116 VAL H H 10.35 0.02 1 1040 116 116 VAL HA H 3.56 0.02 1 1041 116 116 VAL HB H 2.14 0.02 1 1042 116 116 VAL HG1 H 0.77 0.02 1 1043 116 116 VAL HG2 H 0.77 0.02 1 1044 116 116 VAL C C 177.84 0.02 1 1045 116 116 VAL CA C 67.43 0.02 1 1046 116 116 VAL CB C 30.97 0.02 1 1047 116 116 VAL CG1 C 23.75 0.02 1 1048 116 116 VAL CG2 C 21.42 0.02 1 1049 116 116 VAL N N 123.25 0.02 1 1050 117 117 GLU H H 9.34 0.02 1 1051 117 117 GLU HA H 3.68 0.02 1 1052 117 117 GLU HB2 H 2.13 0.02 2 1053 117 117 GLU HB3 H 2.03 0.02 2 1054 117 117 GLU C C 177.23 0.02 1 1055 117 117 GLU CA C 60.77 0.02 1 1056 117 117 GLU CB C 29.9 0.02 1 1057 117 117 GLU CG C 36.28 0.02 1 1058 117 117 GLU N N 120.69 0.02 1 1059 118 118 LYS H H 7.77 0.02 1 1060 118 118 LYS HA H 3.98 0.02 1 1061 118 118 LYS HB2 H 1.94 0.02 1 1062 118 118 LYS HB3 H 1.94 0.02 1 1063 118 118 LYS HG2 H 1.51 0.02 1 1064 118 118 LYS HG3 H 1.51 0.02 1 1065 118 118 LYS HE2 H 2.15 0.02 1 1066 118 118 LYS HE3 H 2.15 0.02 1 1067 118 118 LYS C C 180.59 0.02 1 1068 118 118 LYS CA C 59.1 0.02 1 1069 118 118 LYS CB C 32.2 0.02 1 1070 118 118 LYS CG C 25.0 0.02 1 1071 118 118 LYS CD C 28.5 0.02 1 1072 118 118 LYS CE C 41.6 0.02 1 1073 118 118 LYS N N 116.35 0.02 1 1074 119 119 ILE H H 8.32 0.02 1 1075 119 119 ILE HA H 3.51 0.02 1 1076 119 119 ILE HB H 2.14 0.02 1 1077 119 119 ILE HD1 H 0.68 0.02 4 1078 119 119 ILE C C 177.35 0.02 1 1079 119 119 ILE CA C 65.95 0.02 1 1080 119 119 ILE CB C 38.40 0.02 1 1081 119 119 ILE CG1 C 27.5 0.02 1 1082 119 119 ILE CG2 C 17.4 0.02 1 1083 119 119 ILE CD1 C 14.39 0.02 1 1084 119 119 ILE N N 121.3 0.02 1 1085 120 120 LEU H H 8.48 0.02 1 1086 120 120 LEU HA H 3.81 0.02 1 1087 120 120 LEU HB2 H 1.98 0.02 1 1088 120 120 LEU HB3 H 1.98 0.02 1 1089 120 120 LEU HG H 1.33 0.02 1 1090 120 120 LEU HD1 H 0.72 0.02 1 1091 120 120 LEU HD2 H 0.72 0.02 1 1092 120 120 LEU C C 178.98 0.02 1 1093 120 120 LEU CA C 58.12 0.02 1 1094 120 120 LEU CB C 40.38 0.02 1 1095 120 120 LEU CG C 26.9 0.02 1 1096 120 120 LEU CD1 C 21.79 0.02 1 1097 120 120 LEU CD2 C 21.79 0.02 1 1098 120 120 LEU N N 117.84 0.02 1 1099 121 121 LEU H H 8.65 0.02 1 1100 121 121 LEU HA H 4.09 0.02 1 1101 121 121 LEU HB2 H 1.82 0.02 1 1102 121 121 LEU HB3 H 1.55 0.02 1 1103 121 121 LEU HD1 H 0.89 0.02 1 1104 121 121 LEU HD2 H 0.89 0.02 1 1105 121 121 LEU C C 180.66 0.02 1 1106 121 121 LEU CA C 57.9 0.02 1 1107 121 121 LEU CB C 41.19 0.02 1 1108 121 121 LEU CG C 27.16 0.02 1 1109 121 121 LEU CD1 C 25.31 0.02 1 1110 121 121 LEU CD2 C 22.52 0.02 1 1111 121 121 LEU N N 118.47 0.02 1 1112 122 122 SER H H 8.03 0.02 1 1113 122 122 SER HA H 4.23 0.02 1 1114 122 122 SER HB2 H 3.87 0.02 1 1115 122 122 SER HB3 H 3.87 0.02 1 1116 122 122 SER C C 176.97 0.02 1 1117 122 122 SER CA C 62.2 0.02 1 1118 122 122 SER CB C 63.77 0.02 1 1119 122 122 SER N N 117.15 0.02 1 1120 123 123 VAL H H 8.22 0.02 1 1121 123 123 VAL HA H 3.65 0.02 1 1122 123 123 VAL HB H 2.26 0.02 1 1123 123 123 VAL HG1 H 0.93 0.02 1 1124 123 123 VAL HG2 H 0.93 0.02 1 1125 123 123 VAL C C 177.04 0.02 1 1126 123 123 VAL CA C 66.46 0.02 1 1127 123 123 VAL CB C 30.84 0.02 1 1128 123 123 VAL CG1 C 24.0 0.02 1 1129 123 123 VAL CG2 C 21.9 0.02 1 1130 123 123 VAL N N 124.16 0.02 1 1131 124 124 VAL H H 8.06 0.02 1 1132 124 124 VAL HA H 3.43 0.02 1 1133 124 124 VAL HB H 2.19 0.02 1 1134 124 124 VAL HG1 H 1.16 0.02 1 1135 124 124 VAL HG2 H 1.16 0.02 1 1136 124 124 VAL C C 178.17 0.02 1 1137 124 124 VAL CA C 68.1 0.02 1 1138 124 124 VAL CB C 31.3 0.02 1 1139 124 124 VAL CG1 C 22.98 0.02 1 1140 124 124 VAL CG2 C 20.96 0.02 1 1141 124 124 VAL N N 120.71 0.02 1 1142 125 125 SER H H 7.82 0.02 1 1143 125 125 SER HA H 4.28 0.02 1 1144 125 125 SER HB2 H 3.99 0.02 1 1145 125 125 SER HB3 H 3.99 0.02 1 1146 125 125 SER C C 176.30 0.02 1 1147 125 125 SER CA C 61.4 0.02 1 1148 125 125 SER CB C 63.0 0.02 1 1149 125 125 SER N N 113.37 0.02 1 1150 126 126 MET H H 7.88 0.02 1 1151 126 126 MET HA H 4.17 0.02 1 1152 126 126 MET HB2 H 2.15 0.02 1 1153 126 126 MET HB3 H 2.15 0.02 1 1154 126 126 MET HG2 H 2.56 0.02 1 1155 126 126 MET HG3 H 2.56 0.02 1 1156 126 126 MET C C 178.47 0.02 1 1157 126 126 MET CA C 57.1 0.02 1 1158 126 126 MET CB C 31.7 0.02 1 1159 126 126 MET CG C 31.7 0.02 1 1160 126 126 MET N N 121.41 0.02 . 1161 127 127 LEU H H 7.82 0.02 1 1162 127 127 LEU HA H 3.69 0.02 1 1163 127 127 LEU HB2 H 2.01 0.02 2 1164 127 127 LEU HB3 H 1.0 0.02 2 1165 127 127 LEU HG H 1.58 0.02 1 1166 127 127 LEU HD1 H 0.43 0.02 1 1167 127 127 LEU HD2 H 0.43 0.02 1 1168 127 127 LEU C C 176.67 0.02 1 1169 127 127 LEU CA C 57.7 0.02 1 1170 127 127 LEU CB C 40.9 0.02 1 1171 127 127 LEU CG C 25.96 0.02 1 1172 127 127 LEU CD1 C 24.5 0.02 2 1173 127 127 LEU CD2 C 20.95 0.02 2 1174 127 127 LEU N N 120.62 0.02 1 1175 128 128 ALA H H 7.52 0.02 1 1176 128 128 ALA HA H 4.36 0.02 1 1177 128 128 ALA HB H 1.59 0.02 1 1178 128 128 ALA C C 178.09 0.02 1 1179 128 128 ALA CA C 53.9 0.02 1 1180 128 128 ALA CB C 19.53 0.02 1 1181 128 128 ALA N N 117.62 0.02 1 1182 129 129 GLU H H 8.04 0.02 1 1183 129 129 GLU HA H 4.20 0.02 1 1184 129 129 GLU HB2 H 1.94 0.02 1 1185 129 129 GLU HB3 H 1.94 0.02 1 1186 129 129 GLU HG2 H 2.2 0.02 1 1187 129 129 GLU HG3 H 2.2 0.02 1 1188 129 129 GLU C C 181.20 0.02 1 1189 129 129 GLU CA C 53.1 0.02 1 1190 129 129 GLU CB C 30.7 0.02 1 1191 129 129 GLU N N 117.76 0.02 1 1192 130 130 PRO HA H 4.28 0.02 1 1193 130 130 PRO HB2 H 1.92 0.02 2 1194 130 130 PRO HB3 H 0.87 0.02 2 1195 130 130 PRO C C 178.86 0.02 1 1196 130 130 PRO CA C 62.6 0.02 1 1197 130 130 PRO CB C 31.1 0.02 1 1198 130 130 PRO CG C 25.2 0.02 1 1199 130 130 PRO CD C 49.77 0.02 1 1200 131 131 ASN H H 8.495 0.02 1 1201 131 131 ASN HA H 4.62 0.02 1 1202 131 131 ASN HB2 H 2.79 0.02 1 1203 131 131 ASN HB3 H 2.79 0.02 1 1204 131 131 ASN C C 174.78 0.02 1 1205 131 131 ASN CA C 52.18 0.02 1 1206 131 131 ASN CB C 39.5 0.02 1 1207 131 131 ASN N N 118.7 0.02 1 1208 132 132 ASP H H 8.51 0.02 1 1209 132 132 ASP HA H 4.40 0.02 1 1210 132 132 ASP HB2 H 2.75 0.02 2 1211 132 132 ASP HB3 H 2.47 0.02 2 1212 132 132 ASP C C 176.65 0.02 1 1213 132 132 ASP CA C 54.4 0.02 1 1214 132 132 ASP CB C 40.7 0.02 1 1215 132 132 ASP N N 120.84 0.02 1 1216 133 133 GLU H H 8.37 0.02 1 1217 133 133 GLU HA H 4.13 0.02 1 1218 133 133 GLU HB2 H 1.95 0.02 1 1219 133 133 GLU HB3 H 1.95 0.02 1 1220 133 133 GLU HG2 H 2.18 0.02 1 1221 133 133 GLU HG3 H 2.18 0.02 1 1222 133 133 GLU C C 176.64 0.02 1 1223 133 133 GLU CA C 57.5 0.02 1 1224 133 133 GLU CB C 29.69 0.02 1 1225 133 133 GLU CG C 36.3 0.02 1 1226 133 133 GLU N N 120.05 0.02 1 1227 134 134 SER H H 7.63 0.02 1 1228 134 134 SER HA H 4.27 0.02 1 1229 134 134 SER HB2 H 3.68 0.02 1 1230 134 134 SER HB3 H 3.68 0.02 1 1231 134 134 SER C C 174.93 0.02 1 1232 134 134 SER CA C 57.78 0.02 1 1233 134 134 SER CB C 64.04 0.02 1 1234 134 134 SER N N 113.67 0.02 1 1235 135 135 GLY H H 8.20 0.02 1 1236 135 135 GLY HA2 H 3.80 0.02 1 1237 135 135 GLY HA3 H 3.55 0.02 1 1238 135 135 GLY C C 173.6 0.02 1 1239 135 135 GLY CA C 45.79 0.02 1 1240 135 135 GLY N N 111.18 0.02 1 1241 136 136 ALA H H 7.81 0.02 1 1242 136 136 ALA HA H 3.63 0.02 1 1243 136 136 ALA HB H 0.35 0.02 1 1244 136 136 ALA C C 177.13 0.02 1 1245 136 136 ALA CA C 54.35 0.02 1 1246 136 136 ALA CB C 17.3 0.02 1 1247 136 136 ALA N N 125.7 0.02 1 1248 137 137 ASN H H 7.43 0.02 1 1249 137 137 ASN HA H 4.80 0.02 1 1250 137 137 ASN HB2 H 3.04 0.02 1 1251 137 137 ASN HB3 H 3.04 0.02 1 1252 137 137 ASN C C 176.75 0.02 1 1253 137 137 ASN CA C 51.2 0.02 1 1254 137 137 ASN CB C 37.84 0.02 1 1255 137 137 ASN N N 112.77 0.02 1 1256 138 138 VAL H H 8.85 0.02 1 1257 138 138 VAL HA H 3.71 0.02 1 1258 138 138 VAL HB H 2.12 0.02 1 1259 138 138 VAL HG1 H 1.01 0.02 1 1260 138 138 VAL HG2 H 1.01 0.02 1 1261 138 138 VAL C C 177.76 0.02 1 1262 138 138 VAL CA C 65.68 0.02 1 1263 138 138 VAL CB C 31.74 0.02 1 1264 138 138 VAL CG1 C 21.1 0.02 1 1265 138 138 VAL CG2 C 21.1 0.02 1 1266 138 138 VAL N N 126.0 0.02 1 1267 139 139 ASP H H 7.88 0.02 1 1268 139 139 ASP HA H 4.56 0.02 1 1269 139 139 ASP HB2 H 2.85 0.02 1 1270 139 139 ASP HB3 H 2.85 0.02 1 1271 139 139 ASP C C 179.27 0.02 1 1272 139 139 ASP CA C 57.5 0.02 1 1273 139 139 ASP CB C 40.2 0.02 1 1274 139 139 ASP N N 120.73 0.02 1 1275 140 140 ALA H H 7.39 0.02 1 1276 140 140 ALA HA H 3.87 0.02 1 1277 140 140 ALA HB H 0.12 0.02 1 1278 140 140 ALA C C 178.87 0.02 1 1279 140 140 ALA CA C 54.5 0.02 1 1280 140 140 ALA CB C 16.38 0.02 1 1281 140 140 ALA N N 121.8 0.02 1 1282 141 141 SER H H 8.30 0.02 1 1283 141 141 SER HA H 3.92 0.02 1 1284 141 141 SER C C 177.77 0.02 1 1285 141 141 SER CA C 62.76 0.02 1 1286 141 141 SER CB C 63.7 0.02 1 1287 141 141 SER N N 114.97 0.02 1 1288 142 142 LYS H H 8.10 0.02 1 1289 142 142 LYS HA H 3.96 0.02 1 1290 142 142 LYS HB2 H 1.95 0.02 1 1291 142 142 LYS HB3 H 1.95 0.02 1 1292 142 142 LYS HG2 H 1.43 0.02 1 1293 142 142 LYS HG3 H 1.43 0.02 1 1294 142 142 LYS HD2 H 1.65 0.02 1 1295 142 142 LYS HD3 H 1.65 0.02 1 1296 142 142 LYS HE2 H 2.98 0.02 1 1297 142 142 LYS HE3 H 2.98 0.02 1 1298 142 142 LYS C C 177.76 0.02 1 1299 142 142 LYS CA C 59.4 0.02 1 1300 142 142 LYS CB C 32.2 0.02 1 1301 142 142 LYS CG C 25.0 0.02 1 1302 142 142 LYS CD C 29.2 0.02 1 1303 142 142 LYS CE C 42.1 0.02 1 1304 142 142 LYS N N 120.67 0.02 1 1305 143 143 MET H H 7.81 0.02 1 1306 143 143 MET HA H 4.1 0.02 1 1307 143 143 MET HB2 H 2.68 0.02 1 1308 143 143 MET HB3 H 2.68 0.02 1 1309 143 143 MET HG2 H 2.90 0.02 1 1310 143 143 MET HG3 H 2.90 0.02 1 1311 143 143 MET HE H 2.2 0.02 1 1312 143 143 MET C C 177.9 0.02 1 1313 143 143 MET CA C 58.9 0.02 1 1314 143 143 MET CB C 34.2 0.02 1 1315 143 143 MET CG C 32.1 0.02 1 1316 143 143 MET N N 118.47 0.02 1 1317 144 144 TRP H H 8.58 0.02 1 1318 144 144 TRP HA H 3.54 0.02 1 1319 144 144 TRP HB2 H 3.00 0.02 2 1320 144 144 TRP HB3 H 2.64 0.02 2 1321 144 144 TRP C C 176.55 0.02 1 1322 144 144 TRP CA C 60.4 0.02 1 1323 144 144 TRP CB C 28.9 0.02 1 1324 144 144 TRP N N 117.76 0.02 1 1325 145 145 ARG H H 7.41 0.02 1 1326 145 145 ARG HA H 3.87 0.02 1 1327 145 145 ARG HB2 H 1.86 0.02 1 1328 145 145 ARG HB3 H 1.86 0.02 1 1329 145 145 ARG HG2 H 1.61 0.02 1 1330 145 145 ARG HG3 H 1.61 0.02 1 1331 145 145 ARG HD2 H 3.21 0.02 1 1332 145 145 ARG HD3 H 3.21 0.02 1 1333 145 145 ARG C C 178.58 0.02 1 1334 145 145 ARG CA C 58.47 0.02 1 1335 145 145 ARG CB C 31.29 0.02 1 1336 145 145 ARG CG C 27.05 0.02 1 1337 145 145 ARG CD C 43.4 0.02 1 1338 145 145 ARG N N 114.3 0.02 1 1339 146 146 ASP H H 8.55 0.02 1 1340 146 146 ASP HA H 4.68 0.02 1 1341 146 146 ASP HB2 H 2.65 0.02 1 1342 146 146 ASP HB3 H 2.65 0.02 1 1343 146 146 ASP C C 176.72 0.02 1 1344 146 146 ASP CA C 55.66 0.02 1 1345 146 146 ASP CB C 41.8 0.02 1 1346 146 146 ASP N N 116.3 0.02 1 1347 147 147 ASP H H 8.85 0.02 1 1348 147 147 ASP HA H 2.95 0.02 1 1349 147 147 ASP HB2 H 2.37 0.02 1 1350 147 147 ASP HB3 H 2.37 0.02 1 1351 147 147 ASP C C 174.87 0.02 1 1352 147 147 ASP CA C 52.28 0.02 1 1353 147 147 ASP CB C 39.97 0.02 1 1354 147 147 ASP N N 123.5 0.02 1 1355 148 148 ARG H H 8.41 0.02 1 1356 148 148 ARG HA H 3.5 0.02 1 1357 148 148 ARG HB2 H 1.53 0.02 1 1358 148 148 ARG HB3 H 1.53 0.02 1 1359 148 148 ARG HG2 H 1.23 0.02 1 1360 148 148 ARG HG3 H 1.23 0.02 1 1361 148 148 ARG HD2 H 2.16 0.02 1 1362 148 148 ARG HD3 H 2.16 0.02 1 1363 148 148 ARG C C 177.58 0.02 1 1364 148 148 ARG CA C 58.47 0.02 1 1365 148 148 ARG CB C 28.8 0.02 1 1366 148 148 ARG CG C 25.9 0.02 1 1367 148 148 ARG CD C 41.2 0.02 1 1368 148 148 ARG N N 124.85 0.02 1 1369 149 149 GLU H H 8.40 0.02 1 1370 149 149 GLU HA H 3.96 0.02 1 1371 149 149 GLU HB2 H 2.04 0.02 1 1372 149 149 GLU HB3 H 2.04 0.02 1 1373 149 149 GLU HG2 H 2.29 0.02 1 1374 149 149 GLU HG3 H 2.29 0.02 1 1375 149 149 GLU C C 179.76 0.02 1 1376 149 149 GLU CA C 59.5 0.02 1 1377 149 149 GLU CB C 29.0 0.02 1 1378 149 149 GLU CG C 36.4 0.02 1 1379 149 149 GLU N N 114.78 0.02 1 1380 150 150 GLN H H 7.48 0.02 1 1381 150 150 GLN HA H 4.08 0.02 1 1382 150 150 GLN HB2 H 2.14 0.02 1 1383 150 150 GLN HB3 H 2.14 0.02 1 1384 150 150 GLN HG2 H 2.49 0.02 1 1385 150 150 GLN HG3 H 2.49 0.02 1 1386 150 150 GLN C C 177.78 0.02 1 1387 150 150 GLN CA C 58.1 0.02 1 1388 150 150 GLN CB C 27.6 0.02 1 1389 150 150 GLN CG C 33.9 0.02 1 1390 150 150 GLN N N 120.8 0.02 1 1391 151 151 PHE H H 8.10 0.02 1 1392 151 151 PHE HA H 4.06 0.02 1 1393 151 151 PHE HB2 H 3.59 0.02 2 1394 151 151 PHE HB3 H 2.68 0.02 2 1395 151 151 PHE C C 177.32 0.02 1 1396 151 151 PHE CA C 62.7 0.02 1 1397 151 151 PHE CB C 38.84 0.02 1 1398 151 151 PHE N N 121.0 0.02 1 1399 152 152 TYR H H 8.66 0.02 1 1400 152 152 TYR HA H 4.45 0.02 1 1401 152 152 TYR HB2 H 3.23 0.02 1 1402 152 152 TYR HB3 H 3.23 0.02 1 1403 152 152 TYR C C 178.6 0.02 1 1404 152 152 TYR CA C 58.9 0.02 1 1405 152 152 TYR CB C 36.84 0.02 1 1406 152 152 TYR N N 117.4 0.02 1 1407 153 153 LYS H H 7.63 0.02 1 1408 153 153 LYS HA H 4.03 0.02 1 1409 153 153 LYS HB2 H 2.00 0.02 1 1410 153 153 LYS HB3 H 2.00 0.02 1 1411 153 153 LYS HG2 H 1.36 0.02 1 1412 153 153 LYS HG3 H 1.36 0.02 1 1413 153 153 LYS HD2 H 1.67 0.02 1 1414 153 153 LYS HD3 H 1.67 0.02 1 1415 153 153 LYS HE2 H 2.89 0.02 1 1416 153 153 LYS HE3 H 2.89 0.02 1 1417 153 153 LYS C C 179.7 0.02 1 1418 153 153 LYS CA C 59.98 0.02 1 1419 153 153 LYS CB C 32.3 0.02 1 1420 153 153 LYS CG C 25.2 0.02 1 1421 153 153 LYS CD C 29.5 0.02 1 1422 153 153 LYS CE C 42.0 0.02 1 1423 153 153 LYS N N 119.98 0.02 1 1424 154 154 ILE H H 8.08 0.02 1 1425 154 154 ILE HA H 3.55 0.02 1 1426 154 154 ILE HB H 1.57 0.02 1 1427 154 154 ILE HG2 H 0.425 0.02 4 1428 154 154 ILE HD1 H 0.195 0.02 4 1429 154 154 ILE C C 178.4 0.02 1 1430 154 154 ILE CA C 64.17 0.02 1 1431 154 154 ILE CB C 36.97 0.02 1 1432 154 154 ILE CG1 C 28.2 0.02 1 1433 154 154 ILE CG2 C 16.9 0.02 1 1434 154 154 ILE CD1 C 12.76 0.02 1 1435 154 154 ILE N N 122.3 0.02 1 1436 155 155 ALA H H 8.8 0.02 1 1437 155 155 ALA HA H 3.88 0.02 1 1438 155 155 ALA HB H 0.95 0.02 1 1439 155 155 ALA C C 179.36 0.02 1 1440 155 155 ALA CA C 55.6 0.02 1 1441 155 155 ALA CB C 18.7 0.02 1 1442 155 155 ALA N N 123.55 0.02 1 1443 156 156 LYS H H 7.86 0.02 1 1444 156 156 LYS HA H 4.09 0.02 1 1445 156 156 LYS HB2 H 1.98 0.02 1 1446 156 156 LYS HB3 H 1.98 0.02 1 1447 156 156 LYS HG2 H 1.52 0.02 1 1448 156 156 LYS HG3 H 1.52 0.02 1 1449 156 156 LYS HD2 H 1.66 0.02 1 1450 156 156 LYS HD3 H 1.66 0.02 1 1451 156 156 LYS HE2 H 2.96 0.02 1 1452 156 156 LYS HE3 H 2.96 0.02 1 1453 156 156 LYS C C 179.7 0.02 1 1454 156 156 LYS CA C 59.4 0.02 1 1455 156 156 LYS CB C 31.9 0.02 1 1456 156 156 LYS CG C 25.5 0.02 1 1457 156 156 LYS CD C 29.1 0.02 1 1458 156 156 LYS CE C 42.1 0.02 1 1459 156 156 LYS N N 115.84 0.02 1 1460 157 157 GLN H H 7.57 0.02 1 1461 157 157 GLN HA H 4.15 0.02 1 1462 157 157 GLN HB2 H 2.12 0.02 1 1463 157 157 GLN HB3 H 2.12 0.02 1 1464 157 157 GLN HG2 H 2.56 0.02 2 1465 157 157 GLN HG3 H 2.35 0.02 2 1466 157 157 GLN C C 178.8 0.02 1 1467 157 157 GLN CA C 58.7 0.02 1 1468 157 157 GLN CB C 28.0 0.02 1 1469 157 157 GLN CG C 33.8 0.02 1 1470 157 157 GLN N N 120.1 0.02 1 1471 158 158 ILE H H 8.47 0.02 1 1472 158 158 ILE HA H 3.82 0.02 1 1473 158 158 ILE HB H 2.73 0.02 1 1474 158 158 ILE HG12 H 1.17 0.02 2 1475 158 158 ILE HG13 H 1.25 0.02 2 1476 158 158 ILE HG2 H 0.66 0.02 4 1477 158 158 ILE HD1 H 0.66 0.02 4 1478 158 158 ILE C C 180.23 0.02 1 1479 158 158 ILE CA C 62.7 0.02 1 1480 158 158 ILE CB C 36.0 0.02 1 1481 158 158 ILE CG1 C 27.8 0.02 1 1482 158 158 ILE CG2 C 17.8 0.02 1 1483 158 158 ILE CD1 C 10.15 0.02 1 1484 158 158 ILE N N 122.8 0.02 1 1485 159 159 VAL H H 8.79 0.02 1 1486 159 159 VAL HA H 3.72 0.02 1 1487 159 159 VAL HB H 2.49 0.02 1 1488 159 159 VAL HG1 H 1.4 0.02 2 1489 159 159 VAL HG2 H 0.97 0.02 2 1490 159 159 VAL C C 179.3 0.02 1 1491 159 159 VAL CA C 67.6 0.02 1 1492 159 159 VAL CB C 31.3 0.02 1 1493 159 159 VAL CG1 C 23.2 0.02 2 1494 159 159 VAL CG2 C 19.66 0.02 2 1495 159 159 VAL N N 123.06 0.02 1 1496 160 160 GLN H H 8.36 0.02 1 1497 160 160 GLN HA H 3.94 0.02 1 1498 160 160 GLN HB2 H 2.2 0.02 1 1499 160 160 GLN HB3 H 2.2 0.02 1 1500 160 160 GLN HG2 H 2.47 0.02 1 1501 160 160 GLN HG3 H 2.47 0.02 1 1502 160 160 GLN C C 178.87 0.02 1 1503 160 160 GLN CA C 59.5 0.02 1 1504 160 160 GLN CB C 32.4 0.02 1 1505 160 160 GLN CG C 33.7 0.02 1 1506 160 160 GLN N N 119.9 0.02 1 1507 161 161 LYS H H 8.55 0.02 1 1508 161 161 LYS HA H 4.23 0.02 1 1509 161 161 LYS HB2 H 1.98 0.02 1 1510 161 161 LYS HB3 H 1.98 0.02 1 1511 161 161 LYS HD2 H 1.625 0.02 1 1512 161 161 LYS HD3 H 1.625 0.02 1 1513 161 161 LYS HE2 H 2.90 0.02 1 1514 161 161 LYS HE3 H 2.90 0.02 1 1515 161 161 LYS C C 180.58 0.02 1 1516 161 161 LYS CA C 59.2 0.02 1 1517 161 161 LYS CB C 32.4 0.02 1 1518 161 161 LYS CG C 25.4 0.02 1 1519 161 161 LYS CD C 29.3 0.02 1 1520 161 161 LYS CE C 41.9 0.02 1 1521 161 161 LYS N N 118.7 0.02 1 1522 162 162 SER H H 8.255 0.02 1 1523 162 162 SER HA H 4.42 0.02 1 1524 162 162 SER HB2 H 2.85 0.02 1 1525 162 162 SER HB3 H 2.85 0.02 1 1526 162 162 SER HG H 5.88 0.02 1 1527 162 162 SER C C 175.02 0.02 1 1528 162 162 SER CA C 61.6 0.02 1 1529 162 162 SER CB C 61.8 0.02 1 1530 162 162 SER N N 119.25 0.02 1 1531 163 163 LEU H H 7.35 0.02 1 1532 163 163 LEU HA H 4.45 0.02 1 1533 163 163 LEU HB2 H 1.83 0.02 2 1534 163 163 LEU HB3 H 1.60 0.02 2 1535 163 163 LEU HD1 H 0.85 0.02 1 1536 163 163 LEU HD2 H 0.85 0.02 1 1537 163 163 LEU C C 177.63 0.02 1 1538 163 163 LEU CA C 54.70 0.02 1 1539 163 163 LEU CB C 42.52 0.02 1 1540 163 163 LEU CG C 26.2 0.02 1 1541 163 163 LEU CD1 C 25.0 0.02 2 1542 163 163 LEU CD2 C 21.6 0.02 2 1543 163 163 LEU N N 121.9 0.02 1 1544 164 164 GLY H H 7.95 0.02 1 1545 164 164 GLY HA2 H 4.04 0.02 2 1546 164 164 GLY HA3 H 3.93 0.02 2 1547 164 164 GLY C C 173.8 0.02 1 1548 164 164 GLY CA C 45.78 0.02 1 1549 164 164 GLY N N 108.29 0.02 1 1550 165 165 LEU H H 7.66 0.02 1 1551 165 165 LEU HA H 4.23 0.02 1 1552 165 165 LEU HB2 H 1.55 0.02 1 1553 165 165 LEU HB3 H 1.55 0.02 1 1554 165 165 LEU HD1 H 0.87 0.02 1 1555 165 165 LEU HD2 H 0.87 0.02 1 1556 165 165 LEU C C 172.04 0.02 1 1557 165 165 LEU CA C 55.6 0.02 1 1558 165 165 LEU CB C 43.6 0.02 1 1559 165 165 LEU N N 126.6 0.02 1 stop_ save_