data_7023 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Assignment of 1H,13C and 15N resonances for the REF2-I mRNA export factor ; _BMRB_accession_number 7023 _BMRB_flat_file_name bmr7023.str _Entry_type original _Submission_date 2006-03-16 _Accession_date 2006-03-16 _Entry_origination author _NMR_STAR_version 2.1.1 _Experimental_method NMR _Details 'Chemical shift table' loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Golovanov Alexander P. . 2 Hautbergue Guillaume M. . 3 Wilson Stuart A. . 4 Lian Lu-Yun . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 918 "13C chemical shifts" 576 "15N chemical shifts" 171 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2007-02-08 update BMRB 'complete entry citation' 2006-06-26 original author 'original release' stop_ save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title 'Assignment of 1H, 13C, and 15N resonances for the REF2-I mRNA export factor' _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 16738786 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Golovanov Alexander P. . 2 Hautbergue Guillaume M. . 3 Wilson Stuart A. . 4 Lian Lu-Yun . . stop_ _Journal_abbreviation 'J. Biomol. NMR' _Journal_volume 36 _Journal_issue 'Suppl. 5' _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 41 _Page_last 41 _Year 2006 _Details 'The first and second authors contributed equally to this publication.' loop_ _Keyword 'mRNA export' REF2-I stop_ save_ ####################################### # Cited references within the entry # ####################################### save_reference_1 _Saveframe_category citation _Citation_full . _Citation_title 'A simple method for improving protein solubility and long-term stability.' _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 15264823 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Golovanov Alexander P. . 2 Hautbergue Guillaume M. . 3 Wilson Stuart A. . 4 Lian Lu-Yun . . stop_ _Journal_abbreviation 'J. Am. Chem. Soc.' _Journal_name_full . _Journal_volume 126 _Journal_issue 29 _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 8933 _Page_last 8939 _Year 2004 _Details . loop_ _Keyword 'protein solubility' stop_ save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name 'REF2-I double domain' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label 'chain 1' $N_-_and_RRM_domains_of_REF2-I stop_ _System_molecular_weight . _System_physical_state native _System_oligomer_state protein _System_paramagnetic no _System_thiol_state 'all free' loop_ _Biological_function 'mRNA nuclear export factor' stop_ _Database_query_date . _Details 'REF2-I double domain, including N-terminal and RRM domains (residues 1-155), with additional N-terminal T7 tag and C-terminal His6-tag.' save_ ######################## # Monomeric polymers # ######################## save_N_-_and_RRM_domains_of_REF2-I _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common 'REF2-I residues 1-155' _Molecular_mass . _Mol_thiol_state 'all free' loop_ _Biological_function 'mRNA export factor' stop_ _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 177 _Mol_residue_sequence ; MASMTGGQQMGRDPMADKMD MSLDDIIKLNRNQRRVNRGG GPRRNRPAIARGGRNRPAPY SRPKPLPDKWQHDLFDSGCG GGEGVETGAKLLVSNLDFGV SDADIQELFAEFGTLKKAAV DYDRSGRSLGTADVHFERRA DALKAMKQYKGVPLDGRPMD IQLVASQIDLEHHHHHH ; loop_ _Residue_seq_code _Residue_author_seq_code _Residue_label 1 -13 MET 2 -12 ALA 3 -11 SER 4 -10 MET 5 -9 THR 6 -8 GLY 7 -7 GLY 8 -6 GLN 9 -5 GLN 10 -4 MET 11 -3 GLY 12 -2 ARG 13 -1 ASP 14 0 PRO 15 1 MET 16 2 ALA 17 3 ASP 18 4 LYS 19 5 MET 20 6 ASP 21 7 MET 22 8 SER 23 9 LEU 24 10 ASP 25 11 ASP 26 12 ILE 27 13 ILE 28 14 LYS 29 15 LEU 30 16 ASN 31 17 ARG 32 18 ASN 33 19 GLN 34 20 ARG 35 21 ARG 36 22 VAL 37 23 ASN 38 24 ARG 39 25 GLY 40 26 GLY 41 27 GLY 42 28 PRO 43 29 ARG 44 30 ARG 45 31 ASN 46 32 ARG 47 33 PRO 48 34 ALA 49 35 ILE 50 36 ALA 51 37 ARG 52 38 GLY 53 39 GLY 54 40 ARG 55 41 ASN 56 42 ARG 57 43 PRO 58 44 ALA 59 45 PRO 60 46 TYR 61 47 SER 62 48 ARG 63 49 PRO 64 50 LYS 65 51 PRO 66 52 LEU 67 53 PRO 68 54 ASP 69 55 LYS 70 56 TRP 71 57 GLN 72 58 HIS 73 59 ASP 74 60 LEU 75 61 PHE 76 62 ASP 77 63 SER 78 64 GLY 79 65 CYS 80 66 GLY 81 67 GLY 82 68 GLY 83 69 GLU 84 70 GLY 85 71 VAL 86 72 GLU 87 73 THR 88 74 GLY 89 75 ALA 90 76 LYS 91 77 LEU 92 78 LEU 93 79 VAL 94 80 SER 95 81 ASN 96 82 LEU 97 83 ASP 98 84 PHE 99 85 GLY 100 86 VAL 101 87 SER 102 88 ASP 103 89 ALA 104 90 ASP 105 91 ILE 106 92 GLN 107 93 GLU 108 94 LEU 109 95 PHE 110 96 ALA 111 97 GLU 112 98 PHE 113 99 GLY 114 100 THR 115 101 LEU 116 102 LYS 117 103 LYS 118 104 ALA 119 105 ALA 120 106 VAL 121 107 ASP 122 108 TYR 123 109 ASP 124 110 ARG 125 111 SER 126 112 GLY 127 113 ARG 128 114 SER 129 115 LEU 130 116 GLY 131 117 THR 132 118 ALA 133 119 ASP 134 120 VAL 135 121 HIS 136 122 PHE 137 123 GLU 138 124 ARG 139 125 ARG 140 126 ALA 141 127 ASP 142 128 ALA 143 129 LEU 144 130 LYS 145 131 ALA 146 132 MET 147 133 LYS 148 134 GLN 149 135 TYR 150 136 LYS 151 137 GLY 152 138 VAL 153 139 PRO 154 140 LEU 155 141 ASP 156 142 GLY 157 143 ARG 158 144 PRO 159 145 MET 160 146 ASP 161 147 ILE 162 148 GLN 163 149 LEU 164 150 VAL 165 151 ALA 166 152 SER 167 153 GLN 168 154 ILE 169 155 ASP 170 156 LEU 171 157 GLU 172 158 HIS 173 159 HIS 174 160 HIS 175 161 HIS 176 162 HIS 177 163 HIS 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 2F3J "The Solution Structure Of The Ref2-I Mrna Export Factor (Residues 1-155)" 100.00 177 100.00 100.00 1.23e-125 PDB 2YKA "Rrm Domain Of Mrna Export Adaptor Ref2-i Bound To Hvs Orf57 Peptide" 62.71 124 100.00 100.00 3.57e-74 DBJ BAC33282 "unnamed protein product [Mus musculus]" 87.57 218 99.35 99.35 1.44e-106 EMBL CAB76384 "RNA and export factor binding protein 2-I [Mus musculus]" 87.57 218 100.00 100.00 2.56e-107 GB AAH99405 "RNA and export factor binding protein 2 [Mus musculus]" 87.57 218 99.35 99.35 1.14e-106 GB ADJ67482 "RNA and export factor binding protein 2 [Mus musculus]" 87.57 218 100.00 100.00 2.92e-107 GB EDL39077 "RNA and export factor binding protein 2 [Mus musculus]" 87.57 218 99.35 99.35 1.17e-106 REF NP_062357 "aly/REF export factor 2 [Mus musculus]" 87.57 218 99.35 99.35 1.17e-106 SP Q9JJW6 "RecName: Full=Aly/REF export factor 2; AltName: Full=Alyref; AltName: Full=RNA and export factor-binding protein 2 [Mus musculu" 87.57 218 100.00 100.00 2.56e-107 stop_ save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species _Gene_mnemonic $N_-_and_RRM_domains_of_REF2-I mouse 10090 Eukaryota Metazoa Mus musculus REF2 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 $N_-_and_RRM_domains_of_REF2-I 'recombinant technology' 'E. coli' Escherichia coli BL21(DE3)RP PET24B stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Saveframe_category sample _Sample_type solution _Details 'The 50 mM L-Arg and 50 mM L-Glu were added to improve protein solubility and sample stability, see Reference 1.' loop_ _Mol_label _Concentration_value _Concentration_value_units _Concentration_min_value _Concentration_max_value _Isotopic_labeling $N_-_and_RRM_domains_of_REF2-I . mM 0.5 1.0 '[U-13C; U-15N]' L-Arg 50 mM . . . L-Glu 50 mM . . . NaCl 100 mM . . . 2-mercaptoethanol 50 mM . . . DTT 10 mM . . . EDTA 5 mM . . . 'Na phosphate' 20 mM . . . H2O 95 % . . . D2O 5 % . . . stop_ save_ save_sample_2 _Saveframe_category sample _Sample_type solution _Details 'The 50 mM L-Arg and 50 mM L-Glu were added to improve protein solubility and sample stability, see Reference 1.' loop_ _Mol_label _Concentration_value _Concentration_value_units _Concentration_min_value _Concentration_max_value _Isotopic_labeling $N_-_and_RRM_domains_of_REF2-I . mM 0.5 1.0 [U-15N] L-Arg 50 mM . . . L-Glu 50 mM . . . NaCl 100 mM . . . 2-mercaptoethanol 50 mM . . . DTT 10 mM . . . EDTA 5 mM . . . 'Na phosphate' 20 mM . . . D2O 100 % . . . stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Saveframe_category software _Name xwinnmr _Version 3.5 loop_ _Vendor _Address _Electronic_address Bruker . . stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_600MHz_spectrometer _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model DRX600 _Field_strength 600 _Details . save_ ############################# # NMR applied experiments # ############################# save_1H15N_HSQC_1 _Saveframe_category NMR_applied_experiment _Experiment_name 1H15N_HSQC _Sample_label . save_ save_1H13C_HSQC_2 _Saveframe_category NMR_applied_experiment _Experiment_name 1H13C_HSQC _Sample_label . save_ save_3D_HNCO_3 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCO' _Sample_label . save_ save_3D_HN(CA)CO_4 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HN(CA)CO' _Sample_label . save_ save_3D_HNCA_5 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCA' _Sample_label . save_ save_3D_HN(CO)CA_6 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HN(CO)CA' _Sample_label . save_ save_3D_CBCA(CO)NH_7 _Saveframe_category NMR_applied_experiment _Experiment_name '3D CBCA(CO)NH' _Sample_label . save_ save_3D_CBCANH_8 _Saveframe_category NMR_applied_experiment _Experiment_name '3D CBCANH' _Sample_label . save_ save_3D_HBHA(CO)NH_9 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HBHA(CO)NH' _Sample_label . save_ save_13C-HCCH-TOCSY_10 _Saveframe_category NMR_applied_experiment _Experiment_name 13C-HCCH-TOCSY _Sample_label . save_ save_15N-TOCSY-HSQC_11 _Saveframe_category NMR_applied_experiment _Experiment_name 15N-TOCSY-HSQC _Sample_label . save_ save_15N-NOESY-HSQC_12 _Saveframe_category NMR_applied_experiment _Experiment_name 15N-NOESY-HSQC _Sample_label . save_ save_2D_TOCSY_13 _Saveframe_category NMR_applied_experiment _Experiment_name '2D TOCSY' _Sample_label . save_ save_2D_NOESY_14 _Saveframe_category NMR_applied_experiment _Experiment_name '2D NOESY' _Sample_label . save_ save_1H15N_HSQC _Saveframe_category NMR_applied_experiment _Experiment_name '1H15N HSQC' _BMRB_pulse_sequence_accession_number . _Details . save_ save_1H13C_HSQC _Saveframe_category NMR_applied_experiment _Experiment_name '1H13C HSQC' _BMRB_pulse_sequence_accession_number . _Details . save_ save_3D_HNCO _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCO' _BMRB_pulse_sequence_accession_number . _Details . save_ save_3D_HN(CA)CO _Saveframe_category NMR_applied_experiment _Experiment_name '3D HN(CA)CO' _BMRB_pulse_sequence_accession_number . _Details . save_ save_3D_HNCA _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCA' _BMRB_pulse_sequence_accession_number . _Details . save_ save_3D_HN(CO)CA _Saveframe_category NMR_applied_experiment _Experiment_name '3D HN(CO)CA' _BMRB_pulse_sequence_accession_number . _Details . save_ save_3D_CBCA(CO)NH _Saveframe_category NMR_applied_experiment _Experiment_name '3D CBCA(CO)NH' _BMRB_pulse_sequence_accession_number . _Details . save_ save_3D_CBCANH _Saveframe_category NMR_applied_experiment _Experiment_name '3D CBCANH' _BMRB_pulse_sequence_accession_number . _Details . save_ save_3D_HBHA(CO)NH _Saveframe_category NMR_applied_experiment _Experiment_name '3D HBHA(CO)NH' _BMRB_pulse_sequence_accession_number . _Details . save_ save_13C-HCCH-TOCSY _Saveframe_category NMR_applied_experiment _Experiment_name 13C-HCCH-TOCSY _BMRB_pulse_sequence_accession_number . _Details . save_ save_15N-TOCSY-HSQC _Saveframe_category NMR_applied_experiment _Experiment_name 15N-TOCSY-HSQC _BMRB_pulse_sequence_accession_number . _Details . save_ save_15N-NOESY-HSQC _Saveframe_category NMR_applied_experiment _Experiment_name 15N-NOESY-HSQC _BMRB_pulse_sequence_accession_number . _Details . save_ save_2D_TOCSY _Saveframe_category NMR_applied_experiment _Experiment_name '2D TOCSY' _BMRB_pulse_sequence_accession_number . _Details . save_ save_2D_NOESY _Saveframe_category NMR_applied_experiment _Experiment_name '2D NOESY' _BMRB_pulse_sequence_accession_number . _Details . save_ ####################### # Sample conditions # ####################### save_conditions_1 _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units pH 6.3 0.05 pH temperature 303 0.2 K stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_referencing _Saveframe_category chemical_shift_reference _Details . loop_ _Mol_common_name _Atom_type _Atom_isotope_number _Atom_group _Chem_shift_units _Chem_shift_value _Reference_method _Reference_type _External_reference_sample_geometry _External_reference_location _External_reference_axis _Indirect_shift_ratio DSS C 13 'methyl protons' ppm 0.0 . indirect . . . 0.251449530 DSS H 1 'methyl protons' ppm 0.0 internal direct . . . 1.0 DSS N 15 'methyl protons' ppm 0.0 . indirect . . . 0.101329118 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_chem_shift_list_1 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Software_label $software_1 stop_ _Sample_conditions_label $conditions_1 _Chem_shift_reference_set_label $chemical_shift_referencing _Mol_system_component_name 'chain 1' _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 -9 5 THR H H 8.180 0.01 1 2 -9 5 THR HA H 4.388 0.01 1 3 -9 5 THR HB H 4.320 0.01 1 4 -9 5 THR HG2 H 1.204 0.01 1 5 -9 5 THR C C 175.263 0.1 1 6 -9 5 THR CA C 62.140 0.1 1 7 -9 5 THR CB C 69.652 0.1 1 8 -9 5 THR CG2 C 21.690 0.1 1 9 -9 5 THR N N 114.679 0.1 1 10 -8 6 GLY H H 8.405 0.01 1 11 -8 6 GLY HA2 H 3.977 0.01 2 12 -8 6 GLY HA3 H 3.979 0.01 2 13 -8 6 GLY C C 174.819 0.1 1 14 -8 6 GLY CA C 45.524 0.1 1 15 -8 6 GLY N N 111.302 0.1 1 16 -7 7 GLY H H 8.292 0.01 1 17 -7 7 GLY HA2 H 3.989 0.01 2 18 -7 7 GLY HA3 H 3.992 0.01 2 19 -7 7 GLY C C 174.433 0.1 1 20 -7 7 GLY CA C 45.376 0.1 1 21 -7 7 GLY N N 108.862 0.1 1 22 -6 8 GLN H H 8.271 0.01 1 23 -6 8 GLN HA H 4.341 0.01 1 24 -6 8 GLN HB2 H 2.112 0.01 2 25 -6 8 GLN HB3 H 1.991 0.01 2 26 -6 8 GLN HG2 H 2.355 0.01 1 27 -6 8 GLN HG3 H 2.355 0.01 1 28 -6 8 GLN HE21 H 7.490 0.01 1 29 -6 8 GLN HE22 H 6.820 0.01 1 30 -6 8 GLN C C 176.187 0.1 1 31 -6 8 GLN CA C 56.147 0.1 1 32 -6 8 GLN CB C 29.418 0.1 1 33 -6 8 GLN CG C 34.000 0.1 1 34 -6 8 GLN N N 119.866 0.1 1 35 -6 8 GLN NE2 N 112.390 0.1 1 36 -5 9 GLN H H 8.468 0.01 1 37 -5 9 GLN HA H 4.319 0.01 1 38 -5 9 GLN HB2 H 2.111 0.01 2 39 -5 9 GLN HB3 H 2.001 0.01 2 40 -5 9 GLN HG2 H 2.358 0.01 1 41 -5 9 GLN HG3 H 2.358 0.01 1 42 -5 9 GLN HE21 H 7.490 0.01 1 43 -5 9 GLN HE22 H 6.820 0.01 1 44 -5 9 GLN CA C 56.147 0.1 1 45 -5 9 GLN CB C 29.450 0.1 1 46 -5 9 GLN CG C 33.940 0.1 1 47 -5 9 GLN N N 121.510 0.1 1 48 -5 9 GLN NE2 N 112.390 0.1 1 49 -4 10 MET H H 8.391 0.01 1 50 -4 10 MET HA H 4.465 0.01 1 51 -4 10 MET HB2 H 2.111 0.01 2 52 -4 10 MET HB3 H 2.014 0.01 2 53 -4 10 MET HG2 H 2.619 0.01 2 54 -4 10 MET HG3 H 2.544 0.01 2 55 -4 10 MET HE H 2.070 0.01 1 56 -4 10 MET C C 176.768 0.1 1 57 -4 10 MET CA C 55.875 0.1 1 58 -4 10 MET CB C 32.680 0.1 1 59 -4 10 MET CG C 32.240 0.1 1 60 -4 10 MET CE C 17.330 0.1 1 61 -4 10 MET N N 121.719 0.1 1 62 -3 11 GLY H H 8.417 0.01 1 63 -3 11 GLY HA2 H 3.953 0.01 1 64 -3 11 GLY HA3 H 3.953 0.01 1 65 -3 11 GLY C C 173.827 0.1 1 66 -3 11 GLY CA C 45.456 0.1 1 67 -3 11 GLY N N 110.183 0.1 1 68 -2 12 ARG H H 8.071 0.01 1 69 -2 12 ARG HA H 4.319 0.01 1 70 -2 12 ARG HB2 H 1.819 0.01 2 71 -2 12 ARG HB3 H 1.763 0.01 2 72 -2 12 ARG HG2 H 1.640 0.01 1 73 -2 12 ARG HG3 H 1.640 0.01 1 74 -2 12 ARG HD2 H 3.184 0.01 1 75 -2 12 ARG HD3 H 3.184 0.01 1 76 -2 12 ARG C C 175.803 0.1 1 77 -2 12 ARG CA C 55.863 0.1 1 78 -2 12 ARG CB C 30.973 0.1 1 79 -2 12 ARG CG C 27.188 0.1 1 80 -2 12 ARG CD C 43.530 0.1 1 81 -2 12 ARG N N 120.436 0.1 1 82 -1 13 ASP H H 8.453 0.01 1 83 -1 13 ASP HA H 4.869 0.01 1 84 -1 13 ASP HB2 H 2.770 0.01 2 85 -1 13 ASP HB3 H 2.562 0.01 2 86 -1 13 ASP C C 175.263 0.1 1 87 -1 13 ASP CA C 52.197 0.1 1 88 -1 13 ASP CB C 41.515 0.1 1 89 -1 13 ASP N N 123.803 0.1 1 90 0 14 PRO HA H 4.397 0.01 1 91 0 14 PRO HB2 H 1.870 0.01 2 92 0 14 PRO HB3 H 2.316 0.01 2 93 0 14 PRO HG2 H 1.993 0.01 1 94 0 14 PRO HG3 H 1.993 0.01 1 95 0 14 PRO HD2 H 3.790 0.01 2 96 0 14 PRO HD3 H 3.611 0.01 2 97 0 14 PRO C C 177.650 0.1 1 98 0 14 PRO CA C 64.167 0.1 1 99 0 14 PRO CB C 32.233 0.1 1 100 0 14 PRO CG C 27.440 0.1 1 101 0 14 PRO CD C 50.690 0.1 1 102 1 15 MET H H 8.416 0.01 1 103 1 15 MET HA H 4.458 0.01 1 104 1 15 MET HB2 H 2.101 0.01 1 105 1 15 MET HB3 H 2.101 0.01 1 106 1 15 MET HG2 H 2.620 0.01 2 107 1 15 MET HG3 H 2.550 0.01 2 108 1 15 MET HE H 2.085 0.01 1 109 1 15 MET C C 176.800 0.1 1 110 1 15 MET CA C 55.529 0.1 1 111 1 15 MET CB C 31.973 0.1 1 112 1 15 MET CG C 32.270 0.1 1 113 1 15 MET CE C 17.189 0.1 1 114 1 15 MET N N 117.956 0.1 1 115 2 16 ALA H H 7.872 0.01 1 116 2 16 ALA HA H 4.233 0.01 1 117 2 16 ALA HB H 1.416 0.01 1 118 2 16 ALA C C 177.884 0.1 1 119 2 16 ALA CA C 53.302 0.1 1 120 2 16 ALA CB C 19.213 0.1 1 121 2 16 ALA N N 123.762 0.1 1 122 3 17 ASP H H 8.130 0.01 1 123 3 17 ASP HA H 4.553 0.01 1 124 3 17 ASP HB2 H 2.684 0.01 2 125 3 17 ASP HB3 H 2.623 0.01 2 126 3 17 ASP CA C 54.787 0.1 1 127 3 17 ASP CB C 41.330 0.1 1 128 3 17 ASP N N 118.509 0.1 1 129 4 18 LYS H H 7.991 0.01 1 130 4 18 LYS HA H 4.294 0.01 1 131 4 18 LYS HB2 H 1.870 0.01 2 132 4 18 LYS HB3 H 1.770 0.01 2 133 4 18 LYS HG2 H 1.420 0.01 1 134 4 18 LYS HG3 H 1.420 0.01 1 135 4 18 LYS HD2 H 1.681 0.01 1 136 4 18 LYS HD3 H 1.681 0.01 1 137 4 18 LYS HE2 H 3.007 0.01 1 138 4 18 LYS HE3 H 3.007 0.01 1 139 4 18 LYS C C 176.653 0.1 1 140 4 18 LYS CA C 56.587 0.1 1 141 4 18 LYS CB C 32.694 0.1 1 142 4 18 LYS CG C 24.803 0.1 1 143 4 18 LYS CD C 29.350 0.1 1 144 4 18 LYS N N 120.614 0.1 1 145 5 19 MET H H 8.250 0.01 1 146 5 19 MET HA H 4.426 0.01 1 147 5 19 MET HB2 H 2.062 0.01 1 148 5 19 MET HB3 H 2.062 0.01 1 149 5 19 MET HG2 H 2.580 0.01 2 150 5 19 MET HG3 H 2.530 0.01 2 151 5 19 MET C C 175.982 0.1 1 152 5 19 MET CA C 55.807 0.1 1 153 5 19 MET CB C 33.143 0.1 1 154 5 19 MET CG C 32.186 0.1 1 155 5 19 MET N N 120.635 0.1 1 156 6 20 ASP H H 8.286 0.01 1 157 6 20 ASP HA H 4.599 0.01 1 158 6 20 ASP HB2 H 2.725 0.01 2 159 6 20 ASP HB3 H 2.611 0.01 2 160 6 20 ASP C C 176.086 0.1 1 161 6 20 ASP CA C 54.445 0.1 1 162 6 20 ASP CB C 41.370 0.1 1 163 6 20 ASP N N 121.308 0.1 1 164 7 21 MET H H 8.143 0.01 1 165 7 21 MET HA H 4.500 0.01 1 166 7 21 MET HB2 H 2.133 0.01 2 167 7 21 MET HB3 H 2.017 0.01 2 168 7 21 MET HG2 H 2.620 0.01 2 169 7 21 MET HG3 H 2.560 0.01 2 170 7 21 MET C C 176.180 0.1 1 171 7 21 MET CA C 55.739 0.1 1 172 7 21 MET CB C 33.495 0.1 1 173 7 21 MET CG C 32.210 0.1 1 174 7 21 MET N N 120.925 0.1 1 175 8 22 SER H H 8.685 0.01 1 176 8 22 SER HA H 4.486 0.01 1 177 8 22 SER HB2 H 4.050 0.01 2 178 8 22 SER HB3 H 3.930 0.01 2 179 8 22 SER C C 175.127 0.1 1 180 8 22 SER CA C 58.326 0.1 1 181 8 22 SER CB C 64.420 0.1 1 182 8 22 SER N N 117.945 0.1 1 183 9 23 LEU H H 8.388 0.01 1 184 9 23 LEU HA H 4.220 0.01 1 185 9 23 LEU HB2 H 1.644 0.01 1 186 9 23 LEU HB3 H 1.644 0.01 1 187 9 23 LEU HG H 1.650 0.01 1 188 9 23 LEU HD1 H 0.932 0.01 2 189 9 23 LEU HD2 H 0.877 0.01 2 190 9 23 LEU C C 177.975 0.1 1 191 9 23 LEU CA C 56.828 0.1 1 192 9 23 LEU CB C 41.930 0.1 1 193 9 23 LEU CG C 27.101 0.1 1 194 9 23 LEU CD1 C 24.899 0.1 2 195 9 23 LEU CD2 C 25.195 0.1 2 196 9 23 LEU N N 123.576 0.1 1 197 10 24 ASP H H 8.124 0.01 1 198 10 24 ASP HA H 4.428 0.01 1 199 10 24 ASP HB2 H 2.584 0.01 1 200 10 24 ASP HB3 H 2.584 0.01 1 201 10 24 ASP C C 177.361 0.1 1 202 10 24 ASP CA C 56.204 0.1 1 203 10 24 ASP CB C 41.184 0.1 1 204 10 24 ASP N N 118.416 0.1 1 205 11 25 ASP H H 7.933 0.01 1 206 11 25 ASP HA H 4.501 0.01 1 207 11 25 ASP HB2 H 2.712 0.01 1 208 11 25 ASP HB3 H 2.712 0.01 1 209 11 25 ASP C C 177.644 0.1 1 210 11 25 ASP CA C 56.079 0.1 1 211 11 25 ASP CB C 41.107 0.1 1 212 11 25 ASP N N 119.602 0.1 1 213 12 26 ILE H H 7.913 0.01 1 214 12 26 ILE HA H 3.905 0.01 1 215 12 26 ILE HB H 1.977 0.01 1 216 12 26 ILE HG12 H 1.227 0.01 2 217 12 26 ILE HG13 H 1.583 0.01 2 218 12 26 ILE HG2 H 0.897 0.01 1 219 12 26 ILE HD1 H 0.850 0.01 1 220 12 26 ILE C C 177.644 0.1 1 221 12 26 ILE CA C 63.570 0.1 1 222 12 26 ILE CB C 38.320 0.1 1 223 12 26 ILE CG1 C 28.430 0.1 1 224 12 26 ILE CG2 C 17.631 0.1 1 225 12 26 ILE CD1 C 13.143 0.1 1 226 12 26 ILE N N 120.983 0.1 1 227 13 27 ILE H H 8.049 0.01 1 228 13 27 ILE HA H 3.944 0.01 1 229 13 27 ILE HB H 1.947 0.01 1 230 13 27 ILE HG12 H 1.567 0.01 2 231 13 27 ILE HG13 H 1.233 0.01 2 232 13 27 ILE HG2 H 0.899 0.01 1 233 13 27 ILE HD1 H 0.854 0.01 1 234 13 27 ILE C C 177.725 0.1 1 235 13 27 ILE CA C 63.241 0.1 1 236 13 27 ILE CB C 38.067 0.1 1 237 13 27 ILE CG1 C 28.393 0.1 1 238 13 27 ILE CG2 C 17.631 0.1 1 239 13 27 ILE CD1 C 13.149 0.1 1 240 13 27 ILE N N 121.531 0.1 1 241 14 28 LYS H H 7.883 0.01 1 242 14 28 LYS HA H 4.128 0.01 1 243 14 28 LYS HB2 H 1.843 0.01 1 244 14 28 LYS HB3 H 1.843 0.01 1 245 14 28 LYS HG2 H 1.506 0.01 2 246 14 28 LYS HG3 H 1.390 0.01 2 247 14 28 LYS HD2 H 1.680 0.01 1 248 14 28 LYS HD3 H 1.680 0.01 1 249 14 28 LYS HE2 H 2.993 0.01 1 250 14 28 LYS HE3 H 2.993 0.01 1 251 14 28 LYS C C 177.739 0.1 1 252 14 28 LYS CA C 58.190 0.1 1 253 14 28 LYS CB C 32.680 0.1 1 254 14 28 LYS CG C 25.030 0.1 1 255 14 28 LYS CD C 29.310 0.1 1 256 14 28 LYS CE C 42.320 0.1 1 257 14 28 LYS N N 121.688 0.1 1 258 15 29 LEU H H 7.955 0.01 1 259 15 29 LEU HA H 4.197 0.01 1 260 15 29 LEU HB2 H 1.648 0.01 1 261 15 29 LEU HB3 H 1.648 0.01 1 262 15 29 LEU HG H 1.610 0.01 1 263 15 29 LEU HD1 H 0.884 0.01 1 264 15 29 LEU HD2 H 0.884 0.01 1 265 15 29 LEU C C 178.163 0.1 1 266 15 29 LEU CA C 56.442 0.1 1 267 15 29 LEU CB C 42.240 0.1 1 268 15 29 LEU CG C 27.034 0.1 1 269 15 29 LEU N N 121.123 0.1 1 270 16 30 ASN H H 8.256 0.01 1 271 16 30 ASN HA H 4.620 0.01 1 272 16 30 ASN HB2 H 2.838 0.01 1 273 16 30 ASN HB3 H 2.838 0.01 1 274 16 30 ASN HD21 H 7.589 0.01 1 275 16 30 ASN HD22 H 6.910 0.01 1 276 16 30 ASN C C 176.391 0.1 1 277 16 30 ASN CA C 54.172 0.1 1 278 16 30 ASN CB C 38.661 0.1 1 279 16 30 ASN N N 118.515 0.1 1 280 16 30 ASN ND2 N 112.255 0.1 1 281 17 31 ARG H H 8.208 0.01 1 282 17 31 ARG HA H 4.200 0.01 1 283 17 31 ARG HB2 H 1.860 0.01 2 284 17 31 ARG HB3 H 1.840 0.01 2 285 17 31 ARG HG2 H 1.650 0.01 1 286 17 31 ARG HG3 H 1.650 0.01 1 287 17 31 ARG HD2 H 3.210 0.01 1 288 17 31 ARG HD3 H 3.210 0.01 1 289 17 31 ARG CA C 57.850 0.1 1 290 17 31 ARG CB C 30.303 0.1 1 291 17 31 ARG CG C 27.030 0.1 1 292 17 31 ARG CD C 43.530 0.1 1 293 17 31 ARG N N 120.482 0.1 1 294 18 32 ASN H H 8.279 0.01 1 295 18 32 ASN HA H 4.650 0.01 1 296 18 32 ASN HB2 H 2.843 0.01 1 297 18 32 ASN HB3 H 2.843 0.01 1 298 18 32 ASN C C 175.845 0.1 1 299 18 32 ASN CA C 54.172 0.1 1 300 18 32 ASN CB C 38.734 0.1 1 301 18 32 ASN N N 118.283 0.1 1 302 19 33 GLN H H 8.136 0.01 1 303 19 33 GLN HA H 4.239 0.01 1 304 19 33 GLN HB2 H 2.014 0.01 2 305 19 33 GLN HB3 H 2.111 0.01 2 306 19 33 GLN HG2 H 2.360 0.01 1 307 19 33 GLN HG3 H 2.360 0.01 1 308 19 33 GLN HE21 H 7.466 0.01 1 309 19 33 GLN HE22 H 6.830 0.01 1 310 19 33 GLN C C 176.250 0.1 1 311 19 33 GLN CA C 56.556 0.1 1 312 19 33 GLN CB C 29.366 0.1 1 313 19 33 GLN CG C 33.960 0.1 1 314 19 33 GLN N N 119.790 0.1 1 315 19 33 GLN NE2 N 112.161 0.1 1 316 20 34 ARG H H 8.145 0.01 1 317 20 34 ARG HA H 4.290 0.01 1 318 20 34 ARG HB2 H 1.819 0.01 2 319 20 34 ARG HB3 H 1.806 0.01 2 320 20 34 ARG HG2 H 1.650 0.01 1 321 20 34 ARG HG3 H 1.650 0.01 1 322 20 34 ARG HD2 H 3.196 0.01 1 323 20 34 ARG HD3 H 3.196 0.01 1 324 20 34 ARG C C 176.322 0.1 1 325 20 34 ARG CA C 56.752 0.1 1 326 20 34 ARG CB C 30.771 0.1 1 327 20 34 ARG CG C 27.180 0.1 1 328 20 34 ARG CD C 43.600 0.1 1 329 20 34 ARG N N 121.026 0.1 1 330 21 35 ARG H H 8.199 0.01 1 331 21 35 ARG HA H 4.290 0.01 1 332 21 35 ARG HB2 H 1.842 0.01 2 333 21 35 ARG HB3 H 1.766 0.01 2 334 21 35 ARG HG2 H 1.645 0.01 1 335 21 35 ARG HG3 H 1.645 0.01 1 336 21 35 ARG HD2 H 3.212 0.01 1 337 21 35 ARG HD3 H 3.212 0.01 1 338 21 35 ARG C C 176.464 0.1 1 339 21 35 ARG CA C 56.680 0.1 1 340 21 35 ARG CB C 30.837 0.1 1 341 21 35 ARG CG C 27.180 0.1 1 342 21 35 ARG CD C 43.548 0.1 1 343 21 35 ARG N N 121.835 0.1 1 344 22 36 VAL H H 8.067 0.01 1 345 22 36 VAL HA H 4.310 0.01 1 346 22 36 VAL HB H 2.068 0.01 1 347 22 36 VAL HG1 H 0.910 0.01 1 348 22 36 VAL HG2 H 0.910 0.01 1 349 22 36 VAL C C 175.899 0.1 1 350 22 36 VAL CA C 62.517 0.1 1 351 22 36 VAL CB C 32.645 0.1 1 352 22 36 VAL CG1 C 21.275 0.1 1 353 22 36 VAL CG2 C 21.275 0.1 1 354 22 36 VAL N N 120.543 0.1 1 355 23 37 ASN H H 8.463 0.01 1 356 23 37 ASN HA H 4.718 0.01 1 357 23 37 ASN HB2 H 2.857 0.01 2 358 23 37 ASN HB3 H 2.760 0.01 2 359 23 37 ASN HD21 H 7.589 0.01 1 360 23 37 ASN HD22 H 6.910 0.01 1 361 23 37 ASN C C 175.263 0.1 1 362 23 37 ASN CA C 53.332 0.1 1 363 23 37 ASN CB C 38.797 0.1 1 364 23 37 ASN N N 122.432 0.1 1 365 23 37 ASN ND2 N 112.874 0.1 1 366 24 38 ARG H H 8.371 0.01 1 367 24 38 ARG HA H 4.328 0.01 1 368 24 38 ARG HB2 H 1.810 0.01 1 369 24 38 ARG HB3 H 1.810 0.01 1 370 24 38 ARG HG2 H 1.650 0.01 1 371 24 38 ARG HG3 H 1.650 0.01 1 372 24 38 ARG HD2 H 3.192 0.01 1 373 24 38 ARG HD3 H 3.192 0.01 1 374 24 38 ARG C C 176.905 0.1 1 375 24 38 ARG CA C 56.420 0.1 1 376 24 38 ARG CB C 30.741 0.1 1 377 24 38 ARG CG C 27.180 0.1 1 378 24 38 ARG CD C 43.530 0.1 1 379 24 38 ARG N N 122.200 0.1 1 380 25 39 GLY H H 8.422 0.01 1 381 25 39 GLY HA2 H 3.968 0.01 1 382 25 39 GLY HA3 H 3.968 0.01 1 383 25 39 GLY C C 174.717 0.1 1 384 25 39 GLY CA C 45.520 0.1 1 385 25 39 GLY N N 109.983 0.1 1 386 26 40 GLY H H 8.295 0.01 1 387 26 40 GLY HA2 H 3.994 0.01 1 388 26 40 GLY HA3 H 3.994 0.01 1 389 26 40 GLY C C 174.575 0.1 1 390 26 40 GLY CA C 45.303 0.1 1 391 26 40 GLY N N 108.880 0.1 1 392 27 41 GLY H H 8.188 0.01 1 393 27 41 GLY HA2 H 4.115 0.01 1 394 27 41 GLY HA3 H 4.115 0.01 1 395 27 41 GLY C C 171.981 0.1 1 396 27 41 GLY CA C 44.707 0.1 1 397 27 41 GLY N N 109.018 0.1 1 398 28 42 PRO HA H 4.440 0.01 1 399 28 42 PRO HB2 H 1.860 0.01 2 400 28 42 PRO HB3 H 2.267 0.01 2 401 28 42 PRO HG2 H 1.996 0.01 1 402 28 42 PRO HG3 H 1.996 0.01 1 403 28 42 PRO HD2 H 3.785 0.01 2 404 28 42 PRO HD3 H 3.605 0.01 2 405 28 42 PRO C C 177.250 0.1 1 406 28 42 PRO CA C 63.366 0.1 1 407 28 42 PRO CB C 32.068 0.1 1 408 28 42 PRO CG C 27.470 0.1 1 409 28 42 PRO CD C 50.703 0.1 1 410 29 43 ARG H H 8.430 0.01 1 411 29 43 ARG HA H 4.319 0.01 1 412 29 43 ARG HB2 H 1.870 0.01 2 413 29 43 ARG HB3 H 1.770 0.01 2 414 29 43 ARG HG2 H 1.630 0.01 1 415 29 43 ARG HG3 H 1.630 0.01 1 416 29 43 ARG HD2 H 3.190 0.01 1 417 29 43 ARG HD3 H 3.190 0.01 1 418 29 43 ARG C C 176.529 0.1 1 419 29 43 ARG CA C 56.283 0.1 1 420 29 43 ARG CB C 30.505 0.1 1 421 29 43 ARG CG C 27.180 0.1 1 422 29 43 ARG CD C 43.550 0.1 1 423 29 43 ARG N N 121.280 0.1 1 424 30 44 ARG H H 8.318 0.01 1 425 30 44 ARG HA H 4.324 0.01 1 426 30 44 ARG HB2 H 1.797 0.01 1 427 30 44 ARG HB3 H 1.797 0.01 1 428 30 44 ARG HG2 H 1.650 0.01 1 429 30 44 ARG HG3 H 1.650 0.01 1 430 30 44 ARG HD2 H 3.210 0.01 1 431 30 44 ARG HD3 H 3.210 0.01 1 432 30 44 ARG C C 175.982 0.1 1 433 30 44 ARG CA C 56.147 0.1 1 434 30 44 ARG CB C 30.777 0.1 1 435 30 44 ARG CG C 27.250 0.1 1 436 30 44 ARG CD C 43.550 0.1 1 437 30 44 ARG N N 122.012 0.1 1 438 31 45 ASN H H 8.448 0.01 1 439 31 45 ASN HA H 4.660 0.01 1 440 31 45 ASN HB2 H 2.738 0.01 1 441 31 45 ASN HB3 H 2.738 0.01 1 442 31 45 ASN HD21 H 7.560 0.01 1 443 31 45 ASN HD22 H 6.890 0.01 1 444 31 45 ASN C C 174.751 0.1 1 445 31 45 ASN CA C 53.287 0.1 1 446 31 45 ASN CB C 38.932 0.1 1 447 31 45 ASN N N 119.973 0.1 1 448 31 45 ASN ND2 N 113.090 0.1 1 449 32 46 ARG H H 8.203 0.01 1 450 32 46 ARG HA H 4.671 0.01 1 451 32 46 ARG HB2 H 1.742 0.01 1 452 32 46 ARG HB3 H 1.742 0.01 1 453 32 46 ARG HG2 H 1.650 0.01 1 454 32 46 ARG HG3 H 1.650 0.01 1 455 32 46 ARG HD2 H 3.190 0.01 1 456 32 46 ARG HD3 H 3.190 0.01 1 457 32 46 ARG C C 174.032 0.1 1 458 32 46 ARG CA C 54.172 0.1 1 459 32 46 ARG CB C 30.369 0.1 1 460 32 46 ARG CG C 27.107 0.1 1 461 32 46 ARG CD C 43.500 0.1 1 462 32 46 ARG N N 122.188 0.1 1 463 33 47 PRO HA H 4.400 0.01 1 464 33 47 PRO HB2 H 1.873 0.01 2 465 33 47 PRO HB3 H 2.270 0.01 2 466 33 47 PRO HG2 H 1.990 0.01 1 467 33 47 PRO HG3 H 1.990 0.01 1 468 33 47 PRO C C 176.537 0.1 1 469 33 47 PRO CA C 63.210 0.1 1 470 33 47 PRO CB C 32.068 0.1 1 471 33 47 PRO CG C 27.400 0.1 1 472 34 48 ALA H H 8.368 0.01 1 473 34 48 ALA HA H 4.282 0.01 1 474 34 48 ALA HB H 1.370 0.01 1 475 34 48 ALA C C 177.794 0.1 1 476 34 48 ALA CA C 52.606 0.1 1 477 34 48 ALA CB C 19.087 0.1 1 478 34 48 ALA N N 124.558 0.1 1 479 35 49 ILE H H 7.995 0.01 1 480 35 49 ILE HA H 4.123 0.01 1 481 35 49 ILE HB H 1.817 0.01 1 482 35 49 ILE HG12 H 1.173 0.01 2 483 35 49 ILE HG13 H 1.452 0.01 2 484 35 49 ILE HG2 H 0.894 0.01 1 485 35 49 ILE HD1 H 0.843 0.01 1 486 35 49 ILE C C 175.952 0.1 1 487 35 49 ILE CA C 61.063 0.1 1 488 35 49 ILE CB C 39.000 0.1 1 489 35 49 ILE CG1 C 27.480 0.1 1 490 35 49 ILE CG2 C 17.642 0.1 1 491 35 49 ILE CD1 C 13.131 0.1 1 492 35 49 ILE N N 119.849 0.1 1 493 36 50 ALA H H 8.300 0.01 1 494 36 50 ALA HA H 4.343 0.01 1 495 36 50 ALA HB H 1.370 0.01 1 496 36 50 ALA C C 177.623 0.1 1 497 36 50 ALA CA C 52.402 0.1 1 498 36 50 ALA CB C 19.359 0.1 1 499 36 50 ALA N N 128.300 0.1 1 500 37 51 ARG H H 8.312 0.01 1 501 37 51 ARG HA H 4.324 0.01 1 502 37 51 ARG HB2 H 1.782 0.01 2 503 37 51 ARG HB3 H 1.810 0.01 2 504 37 51 ARG HG2 H 1.650 0.01 1 505 37 51 ARG HG3 H 1.650 0.01 1 506 37 51 ARG HD2 H 3.200 0.01 1 507 37 51 ARG HD3 H 3.200 0.01 1 508 37 51 ARG C C 177.007 0.1 1 509 37 51 ARG CA C 56.473 0.1 1 510 37 51 ARG CB C 30.638 0.1 1 511 37 51 ARG CG C 27.180 0.1 1 512 37 51 ARG CD C 43.530 0.1 1 513 37 51 ARG N N 120.900 0.1 1 514 38 52 GLY H H 8.416 0.01 1 515 38 52 GLY HA2 H 3.980 0.01 1 516 38 52 GLY HA3 H 3.980 0.01 1 517 38 52 GLY C C 174.648 0.1 1 518 38 52 GLY CA C 45.456 0.1 1 519 38 52 GLY N N 109.820 0.1 1 520 39 53 GLY H H 8.259 0.01 1 521 39 53 GLY HA2 H 3.980 0.01 1 522 39 53 GLY HA3 H 3.980 0.01 1 523 39 53 GLY C C 174.528 0.1 1 524 39 53 GLY CA C 45.344 0.1 1 525 39 53 GLY N N 108.762 0.1 1 526 40 54 ARG H H 8.236 0.01 1 527 40 54 ARG HA H 4.310 0.01 1 528 40 54 ARG HB2 H 1.779 0.01 1 529 40 54 ARG HB3 H 1.779 0.01 1 530 40 54 ARG HG2 H 1.620 0.01 1 531 40 54 ARG HG3 H 1.620 0.01 1 532 40 54 ARG HD2 H 3.193 0.01 1 533 40 54 ARG HD3 H 3.193 0.01 1 534 40 54 ARG C C 176.136 0.1 1 535 40 54 ARG CA C 56.297 0.1 1 536 40 54 ARG CB C 30.660 0.1 1 537 40 54 ARG CG C 27.250 0.1 1 538 40 54 ARG CD C 43.500 0.1 1 539 40 54 ARG N N 120.312 0.1 1 540 41 55 ASN H H 8.465 0.01 1 541 41 55 ASN HA H 4.690 0.01 1 542 41 55 ASN HB2 H 2.758 0.01 1 543 41 55 ASN HB3 H 2.758 0.01 1 544 41 55 ASN HD21 H 7.560 0.01 1 545 41 55 ASN HD22 H 6.890 0.01 1 546 41 55 ASN C C 174.751 0.1 1 547 41 55 ASN CA C 53.355 0.1 1 548 41 55 ASN CB C 39.000 0.1 1 549 41 55 ASN N N 119.524 0.1 1 550 41 55 ASN ND2 N 113.090 0.1 1 551 42 56 ARG H H 8.141 0.01 1 552 42 56 ARG HA H 4.671 0.01 1 553 42 56 ARG HB2 H 1.893 0.01 2 554 42 56 ARG HB3 H 1.715 0.01 2 555 42 56 ARG HG2 H 1.650 0.01 1 556 42 56 ARG HG3 H 1.650 0.01 1 557 42 56 ARG HD2 H 3.200 0.01 1 558 42 56 ARG HD3 H 3.200 0.01 1 559 42 56 ARG C C 173.998 0.1 1 560 42 56 ARG CA C 54.309 0.1 1 561 42 56 ARG CB C 30.347 0.1 1 562 42 56 ARG CG C 27.250 0.1 1 563 42 56 ARG CD C 43.550 0.1 1 564 42 56 ARG N N 122.149 0.1 1 565 43 57 PRO HA H 4.400 0.01 1 566 43 57 PRO HB2 H 1.860 0.01 2 567 43 57 PRO HB3 H 2.250 0.01 2 568 43 57 PRO HG2 H 1.988 0.01 1 569 43 57 PRO HG3 H 1.988 0.01 1 570 43 57 PRO HD2 H 3.740 0.01 2 571 43 57 PRO HD3 H 3.600 0.01 2 572 43 57 PRO C C 176.206 0.1 1 573 43 57 PRO CA C 63.050 0.1 1 574 43 57 PRO CB C 32.068 0.1 1 575 43 57 PRO CG C 27.475 0.1 1 576 43 57 PRO CD C 50.670 0.1 1 577 44 58 ALA H H 8.334 0.01 1 578 44 58 ALA HA H 4.541 0.01 1 579 44 58 ALA HB H 1.320 0.01 1 580 44 58 ALA C C 175.919 0.1 1 581 44 58 ALA CA C 50.535 0.1 1 582 44 58 ALA CB C 18.319 0.1 1 583 44 58 ALA N N 125.558 0.1 1 584 45 59 PRO HA H 4.360 0.01 1 585 45 59 PRO HB2 H 1.800 0.01 2 586 45 59 PRO HB3 H 2.190 0.01 2 587 45 59 PRO HG2 H 1.970 0.01 1 588 45 59 PRO HG3 H 1.970 0.01 1 589 45 59 PRO HD2 H 3.727 0.01 1 590 45 59 PRO HD3 H 3.727 0.01 1 591 45 59 PRO C C 176.630 0.1 1 592 45 59 PRO CA C 63.290 0.1 1 593 45 59 PRO CB C 31.910 0.1 1 594 45 59 PRO CG C 27.320 0.1 1 595 45 59 PRO CD C 50.727 0.1 1 596 46 60 TYR H H 8.022 0.01 1 597 46 60 TYR HA H 4.526 0.01 1 598 46 60 TYR HB2 H 3.027 0.01 1 599 46 60 TYR HB3 H 3.027 0.01 1 600 46 60 TYR HD1 H 7.092 0.01 1 601 46 60 TYR HD2 H 7.092 0.01 1 602 46 60 TYR HE1 H 6.793 0.01 1 603 46 60 TYR HE2 H 6.793 0.01 1 604 46 60 TYR C C 175.742 0.1 1 605 46 60 TYR CA C 57.850 0.1 1 606 46 60 TYR CB C 38.797 0.1 1 607 46 60 TYR N N 119.641 0.1 1 608 47 61 SER H H 7.967 0.01 1 609 47 61 SER HA H 4.387 0.01 1 610 47 61 SER HB2 H 3.769 0.01 1 611 47 61 SER HB3 H 3.769 0.01 1 612 47 61 SER C C 173.554 0.1 1 613 47 61 SER CA C 57.781 0.1 1 614 47 61 SER CB C 64.079 0.1 1 615 47 61 SER N N 118.080 0.1 1 616 48 62 ARG H H 8.162 0.01 1 617 48 62 ARG HA H 4.560 0.01 1 618 48 62 ARG HB2 H 1.840 0.01 2 619 48 62 ARG HB3 H 1.700 0.01 2 620 48 62 ARG HD2 H 3.030 0.01 1 621 48 62 ARG HD3 H 3.030 0.01 1 622 48 62 ARG C C 174.203 0.1 1 623 48 62 ARG CA C 54.172 0.1 1 624 48 62 ARG CB C 30.369 0.1 1 625 48 62 ARG N N 124.147 0.1 1 626 49 63 PRO HA H 4.390 0.01 1 627 49 63 PRO HB2 H 1.850 0.01 2 628 49 63 PRO HB3 H 2.250 0.01 2 629 49 63 PRO HG2 H 1.993 0.01 1 630 49 63 PRO HG3 H 1.993 0.01 1 631 49 63 PRO HD2 H 3.612 0.01 1 632 49 63 PRO HD3 H 3.612 0.01 1 633 49 63 PRO C C 176.580 0.1 1 634 49 63 PRO CA C 63.200 0.1 1 635 49 63 PRO CB C 32.260 0.1 1 636 49 63 PRO CG C 27.402 0.1 1 637 49 63 PRO CD C 50.600 0.1 1 638 50 64 LYS H H 8.271 0.01 1 639 50 64 LYS HA H 4.566 0.01 1 640 50 64 LYS HB2 H 1.820 0.01 2 641 50 64 LYS HB3 H 1.684 0.01 2 642 50 64 LYS HG2 H 1.475 0.01 1 643 50 64 LYS HG3 H 1.475 0.01 1 644 50 64 LYS HD2 H 1.676 0.01 1 645 50 64 LYS HD3 H 1.676 0.01 1 646 50 64 LYS HE2 H 2.992 0.01 1 647 50 64 LYS HE3 H 2.992 0.01 1 648 50 64 LYS C C 174.631 0.1 1 649 50 64 LYS CA C 54.247 0.1 1 650 50 64 LYS CB C 32.596 0.1 1 651 50 64 LYS CG C 24.750 0.1 1 652 50 64 LYS CD C 29.315 0.1 1 653 50 64 LYS CE C 42.280 0.1 1 654 50 64 LYS N N 122.778 0.1 1 655 51 65 PRO HA H 4.401 0.01 1 656 51 65 PRO HB2 H 1.847 0.01 2 657 51 65 PRO HB3 H 2.230 0.01 2 658 51 65 PRO HG2 H 1.993 0.01 1 659 51 65 PRO HG3 H 1.993 0.01 1 660 51 65 PRO HD2 H 3.780 0.01 2 661 51 65 PRO HD3 H 3.570 0.01 2 662 51 65 PRO C C 176.630 0.1 1 663 51 65 PRO CA C 63.200 0.1 1 664 51 65 PRO CB C 32.068 0.1 1 665 51 65 PRO CG C 27.480 0.1 1 666 51 65 PRO CD C 50.500 0.1 1 667 52 66 LEU H H 8.221 0.01 1 668 52 66 LEU HA H 4.571 0.01 1 669 52 66 LEU HB2 H 1.571 0.01 2 670 52 66 LEU HB3 H 1.520 0.01 2 671 52 66 LEU HG H 1.699 0.01 1 672 52 66 LEU HD1 H 0.885 0.01 1 673 52 66 LEU HD2 H 0.885 0.01 1 674 52 66 LEU C C 175.546 0.1 1 675 52 66 LEU CA C 53.100 0.1 1 676 52 66 LEU CB C 41.726 0.1 1 677 52 66 LEU CG C 27.180 0.1 1 678 52 66 LEU CD1 C 25.120 0.1 1 679 52 66 LEU CD2 C 25.120 0.1 1 680 52 66 LEU N N 123.470 0.1 1 681 53 67 PRO HA H 4.368 0.01 1 682 53 67 PRO HB2 H 1.847 0.01 2 683 53 67 PRO HB3 H 2.240 0.01 2 684 53 67 PRO HG2 H 1.985 0.01 1 685 53 67 PRO HG3 H 1.985 0.01 1 686 53 67 PRO HD2 H 3.780 0.01 2 687 53 67 PRO HD3 H 3.620 0.01 2 688 53 67 PRO C C 176.770 0.1 1 689 53 67 PRO CA C 63.400 0.1 1 690 53 67 PRO CB C 32.070 0.1 1 691 53 67 PRO CG C 27.470 0.1 1 692 53 67 PRO CD C 50.660 0.1 1 693 54 68 ASP H H 8.269 0.01 1 694 54 68 ASP HA H 4.498 0.01 1 695 54 68 ASP HB2 H 2.580 0.01 1 696 54 68 ASP HB3 H 2.580 0.01 1 697 54 68 ASP C C 176.653 0.1 1 698 54 68 ASP CA C 54.785 0.1 1 699 54 68 ASP CB C 41.379 0.1 1 700 54 68 ASP N N 120.212 0.1 1 701 55 69 LYS H H 8.086 0.01 1 702 55 69 LYS HA H 4.176 0.01 1 703 55 69 LYS HB2 H 1.648 0.01 2 704 55 69 LYS HB3 H 1.636 0.01 2 705 55 69 LYS HG2 H 1.190 0.01 1 706 55 69 LYS HG3 H 1.190 0.01 1 707 55 69 LYS HD2 H 1.552 0.01 1 708 55 69 LYS HD3 H 1.552 0.01 1 709 55 69 LYS HE2 H 2.868 0.01 1 710 55 69 LYS HE3 H 2.868 0.01 1 711 55 69 LYS C C 176.369 0.1 1 712 55 69 LYS CA C 56.834 0.1 1 713 55 69 LYS CB C 32.770 0.1 1 714 55 69 LYS CG C 24.490 0.1 1 715 55 69 LYS CD C 29.175 0.1 1 716 55 69 LYS CE C 42.127 0.1 1 717 55 69 LYS N N 120.320 0.1 1 718 56 70 TRP H H 7.983 0.01 1 719 56 70 TRP HA H 4.620 0.01 1 720 56 70 TRP HB2 H 3.270 0.01 2 721 56 70 TRP HB3 H 3.222 0.01 2 722 56 70 TRP HD1 H 7.210 0.01 1 723 56 70 TRP HE1 H 10.138 0.01 1 724 56 70 TRP HE3 H 7.564 0.01 1 725 56 70 TRP HZ2 H 7.440 0.01 1 726 56 70 TRP HZ3 H 7.100 0.01 1 727 56 70 TRP HH2 H 7.170 0.01 1 728 56 70 TRP C C 176.288 0.1 1 729 56 70 TRP CA C 57.412 0.1 1 730 56 70 TRP CB C 29.480 0.1 1 731 56 70 TRP N N 120.775 0.1 1 732 56 70 TRP NE1 N 129.525 0.1 1 733 57 71 GLN H H 7.947 0.01 1 734 57 71 GLN HA H 4.180 0.01 1 735 57 71 GLN HB2 H 1.944 0.01 2 736 57 71 GLN HB3 H 1.797 0.01 2 737 57 71 GLN HG2 H 2.080 0.01 1 738 57 71 GLN HG3 H 2.080 0.01 1 739 57 71 GLN HE21 H 7.430 0.01 1 740 57 71 GLN HE22 H 6.760 0.01 1 741 57 71 GLN C C 175.709 0.1 1 742 57 71 GLN CA C 56.393 0.1 1 743 57 71 GLN CB C 29.530 0.1 1 744 57 71 GLN CG C 33.650 0.1 1 745 57 71 GLN N N 121.233 0.1 1 746 57 71 GLN NE2 N 112.228 0.1 1 747 58 72 HIS H H 8.099 0.01 1 748 58 72 HIS HA H 4.500 0.01 1 749 58 72 HIS HB2 H 3.050 0.01 2 750 58 72 HIS HB3 H 2.990 0.01 2 751 58 72 HIS HD2 H 6.992 0.01 1 752 58 72 HIS HE1 H 8.083 0.01 1 753 58 72 HIS C C 174.858 0.1 1 754 58 72 HIS CA C 56.464 0.1 1 755 58 72 HIS CB C 29.905 0.1 1 756 58 72 HIS N N 119.702 0.1 1 757 59 73 ASP H H 8.303 0.01 1 758 59 73 ASP HA H 4.548 0.01 1 759 59 73 ASP HB2 H 2.619 0.01 1 760 59 73 ASP HB3 H 2.619 0.01 1 761 59 73 ASP CA C 54.740 0.1 1 762 59 73 ASP CB C 41.400 0.1 1 763 59 73 ASP N N 120.722 0.1 1 764 60 74 LEU H H 8.017 0.01 1 765 60 74 LEU HA H 4.214 0.01 1 766 60 74 LEU HB2 H 1.470 0.01 2 767 60 74 LEU HB3 H 1.380 0.01 2 768 60 74 LEU HG H 1.470 0.01 1 769 60 74 LEU HD1 H 0.770 0.01 2 770 60 74 LEU HD2 H 0.820 0.01 2 771 60 74 LEU C C 177.266 0.1 1 772 60 74 LEU CA C 55.664 0.1 1 773 60 74 LEU CB C 42.420 0.1 1 774 60 74 LEU CG C 27.100 0.1 1 775 60 74 LEU CD1 C 25.240 0.1 2 776 60 74 LEU CD2 C 25.000 0.1 2 777 60 74 LEU N N 121.650 0.1 1 778 61 75 PHE H H 8.064 0.01 1 779 61 75 PHE HA H 4.590 0.01 1 780 61 75 PHE HB2 H 3.148 0.01 2 781 61 75 PHE HB3 H 2.977 0.01 2 782 61 75 PHE HD1 H 7.204 0.01 1 783 61 75 PHE HD2 H 7.204 0.01 1 784 61 75 PHE HE1 H 7.288 0.01 1 785 61 75 PHE HE2 H 7.288 0.01 1 786 61 75 PHE HZ H 7.260 0.01 1 787 61 75 PHE C C 175.614 0.1 1 788 61 75 PHE CA C 57.891 0.1 1 789 61 75 PHE CB C 39.600 0.1 1 790 61 75 PHE N N 119.627 0.1 1 791 62 76 ASP H H 8.143 0.01 1 792 62 76 ASP HA H 4.671 0.01 1 793 62 76 ASP HB2 H 2.674 0.01 2 794 62 76 ASP HB3 H 2.636 0.01 2 795 62 76 ASP C C 176.369 0.1 1 796 62 76 ASP CA C 54.240 0.1 1 797 62 76 ASP CB C 41.515 0.1 1 798 62 76 ASP N N 121.887 0.1 1 799 63 77 SER H H 8.279 0.01 1 800 63 77 SER HA H 4.379 0.01 1 801 63 77 SER HB2 H 3.928 0.01 2 802 63 77 SER HB3 H 3.916 0.01 2 803 63 77 SER C C 175.503 0.1 1 804 63 77 SER CA C 59.143 0.1 1 805 63 77 SER CB C 63.807 0.1 1 806 63 77 SER N N 117.031 0.1 1 807 64 78 GLY H H 8.495 0.01 1 808 64 78 GLY HA2 H 4.010 0.01 1 809 64 78 GLY HA3 H 4.010 0.01 1 810 64 78 GLY C C 174.580 0.1 1 811 64 78 GLY CA C 45.728 0.1 1 812 64 78 GLY N N 110.731 0.1 1 813 65 79 CYS H H 8.160 0.01 1 814 65 79 CYS HA H 4.538 0.01 1 815 65 79 CYS HB2 H 2.944 0.01 1 816 65 79 CYS HB3 H 2.944 0.01 1 817 65 79 CYS C C 175.263 0.1 1 818 65 79 CYS CA C 58.735 0.1 1 819 65 79 CYS CB C 28.270 0.1 1 820 65 79 CYS N N 118.326 0.1 1 821 66 80 GLY H H 8.521 0.01 1 822 66 80 GLY HA2 H 3.977 0.01 1 823 66 80 GLY HA3 H 3.977 0.01 1 824 66 80 GLY C C 174.716 0.1 1 825 66 80 GLY CA C 45.592 0.1 1 826 66 80 GLY N N 111.255 0.1 1 827 67 81 GLY H H 8.301 0.01 1 828 67 81 GLY HA2 H 3.980 0.01 1 829 67 81 GLY HA3 H 3.980 0.01 1 830 67 81 GLY C C 174.670 0.1 1 831 67 81 GLY CA C 45.504 0.1 1 832 67 81 GLY N N 108.991 0.1 1 833 68 82 GLY H H 8.272 0.01 1 834 68 82 GLY HA2 H 3.965 0.01 2 835 68 82 GLY HA3 H 3.968 0.01 2 836 68 82 GLY C C 174.339 0.1 1 837 68 82 GLY CA C 45.320 0.1 1 838 68 82 GLY N N 108.735 0.1 1 839 69 83 GLU H H 8.429 0.01 1 840 69 83 GLU HA H 4.306 0.01 1 841 69 83 GLU HB2 H 2.075 0.01 2 842 69 83 GLU HB3 H 1.940 0.01 2 843 69 83 GLU HG2 H 2.270 0.01 1 844 69 83 GLU HG3 H 2.270 0.01 1 845 69 83 GLU C C 177.240 0.1 1 846 69 83 GLU CA C 56.946 0.1 1 847 69 83 GLU CB C 30.198 0.1 1 848 69 83 GLU CG C 36.450 0.1 1 849 69 83 GLU N N 120.632 0.1 1 850 70 84 GLY H H 8.459 0.01 1 851 70 84 GLY HA2 H 3.942 0.01 1 852 70 84 GLY HA3 H 3.942 0.01 1 853 70 84 GLY C C 174.135 0.1 1 854 70 84 GLY CA C 45.524 0.1 1 855 70 84 GLY N N 109.990 0.1 1 856 71 85 VAL H H 7.845 0.01 1 857 71 85 VAL HA H 4.175 0.01 1 858 71 85 VAL HB H 2.075 0.01 1 859 71 85 VAL HG1 H 0.882 0.01 1 860 71 85 VAL HG2 H 0.882 0.01 1 861 71 85 VAL C C 176.122 0.1 1 862 71 85 VAL CA C 62.278 0.1 1 863 71 85 VAL CB C 32.911 0.1 1 864 71 85 VAL CG1 C 20.500 0.1 1 865 71 85 VAL CG2 C 20.500 0.1 1 866 71 85 VAL N N 118.722 0.1 1 867 72 86 GLU H H 8.518 0.01 1 868 72 86 GLU HA H 4.461 0.01 1 869 72 86 GLU HB2 H 2.120 0.01 2 870 72 86 GLU HB3 H 2.075 0.01 2 871 72 86 GLU HG2 H 2.320 0.01 1 872 72 86 GLU HG3 H 2.320 0.01 1 873 72 86 GLU C C 176.597 0.1 1 874 72 86 GLU CA C 56.556 0.1 1 875 72 86 GLU CB C 30.505 0.1 1 876 72 86 GLU CG C 36.500 0.1 1 877 72 86 GLU N N 125.049 0.1 1 878 73 87 THR H H 8.230 0.01 1 879 73 87 THR HA H 4.492 0.01 1 880 73 87 THR HB H 4.404 0.01 1 881 73 87 THR HG2 H 1.250 0.01 1 882 73 87 THR C C 175.692 0.1 1 883 73 87 THR CA C 61.974 0.1 1 884 73 87 THR CB C 70.341 0.1 1 885 73 87 THR CG2 C 21.630 0.1 1 886 73 87 THR N N 115.587 0.1 1 887 74 88 GLY H H 8.809 0.01 1 888 74 88 GLY HA2 H 4.184 0.01 2 889 74 88 GLY HA3 H 3.819 0.01 2 890 74 88 GLY C C 173.314 0.1 1 891 74 88 GLY CA C 45.805 0.1 1 892 74 88 GLY N N 112.191 0.1 1 893 75 89 ALA H H 8.049 0.01 1 894 75 89 ALA HA H 4.582 0.01 1 895 75 89 ALA HB H 1.221 0.01 1 896 75 89 ALA C C 174.511 0.1 1 897 75 89 ALA CA C 51.866 0.1 1 898 75 89 ALA CB C 22.757 0.1 1 899 75 89 ALA N N 118.813 0.1 1 900 76 90 LYS H H 8.525 0.01 1 901 76 90 LYS HA H 4.965 0.01 1 902 76 90 LYS HB2 H 1.522 0.01 2 903 76 90 LYS HB3 H 1.331 0.01 2 904 76 90 LYS C C 174.433 0.1 1 905 76 90 LYS CA C 55.330 0.1 1 906 76 90 LYS CB C 35.000 0.1 1 907 76 90 LYS N N 121.468 0.1 1 908 77 91 LEU H H 9.361 0.01 1 909 77 91 LEU HA H 5.216 0.01 1 910 77 91 LEU HB2 H 1.660 0.01 1 911 77 91 LEU HB3 H 1.660 0.01 1 912 77 91 LEU HG H 1.050 0.01 1 913 77 91 LEU HD1 H 0.770 0.01 2 914 77 91 LEU HD2 H 0.825 0.01 2 915 77 91 LEU C C 176.039 0.1 1 916 77 91 LEU CA C 52.742 0.1 1 917 77 91 LEU N N 121.065 0.1 1 918 78 92 LEU H H 8.997 0.01 1 919 78 92 LEU HA H 4.975 0.01 1 920 78 92 LEU HB2 H 1.650 0.01 2 921 78 92 LEU HB3 H 1.406 0.01 2 922 78 92 LEU HG H 1.620 0.01 1 923 78 92 LEU HD1 H 0.820 0.01 2 924 78 92 LEU HD2 H 0.860 0.01 2 925 78 92 LEU C C 176.584 0.1 1 926 78 92 LEU CA C 54.172 0.1 1 927 78 92 LEU CB C 43.020 0.1 1 928 78 92 LEU CG C 25.640 0.1 1 929 78 92 LEU N N 124.476 0.1 1 930 79 93 VAL H H 8.938 0.01 1 931 79 93 VAL HA H 4.976 0.01 1 932 79 93 VAL HB H 1.882 0.01 1 933 79 93 VAL HG1 H 1.050 0.01 2 934 79 93 VAL HG2 H 0.747 0.01 2 935 79 93 VAL C C 174.785 0.1 1 936 79 93 VAL CA C 61.050 0.1 1 937 79 93 VAL CB C 33.070 0.1 1 938 79 93 VAL CG1 C 22.320 0.1 2 939 79 93 VAL CG2 C 21.730 0.1 2 940 79 93 VAL N N 130.213 0.1 1 941 80 94 SER H H 9.498 0.01 1 942 80 94 SER HA H 5.330 0.01 1 943 80 94 SER HB2 H 4.002 0.01 2 944 80 94 SER HB3 H 3.745 0.01 2 945 80 94 SER C C 173.246 0.1 1 946 80 94 SER CA C 57.441 0.1 1 947 80 94 SER CB C 65.590 0.1 1 948 80 94 SER N N 121.238 0.1 1 949 81 95 ASN H H 8.710 0.01 1 950 81 95 ASN HA H 4.452 0.01 1 951 81 95 ASN HB2 H 3.780 0.01 2 952 81 95 ASN HB3 H 2.508 0.01 2 953 81 95 ASN HD21 H 8.273 0.01 1 954 81 95 ASN HD22 H 7.241 0.01 1 955 81 95 ASN C C 176.770 0.1 1 956 81 95 ASN CA C 54.104 0.1 1 957 81 95 ASN CB C 39.887 0.1 1 958 81 95 ASN N N 116.011 0.1 1 959 81 95 ASN ND2 N 112.650 0.1 1 960 82 96 LEU H H 8.158 0.01 1 961 82 96 LEU HA H 4.139 0.01 1 962 82 96 LEU HB2 H 1.190 0.01 2 963 82 96 LEU HB3 H 1.090 0.01 2 964 82 96 LEU HG H 1.227 0.01 1 965 82 96 LEU HD1 H 0.481 0.01 2 966 82 96 LEU HD2 H 0.723 0.01 2 967 82 96 LEU C C 177.860 0.1 1 968 82 96 LEU CA C 54.036 0.1 1 969 82 96 LEU N N 117.140 0.1 1 970 83 97 ASP H H 9.323 0.01 1 971 83 97 ASP HA H 4.185 0.01 1 972 83 97 ASP HB2 H 2.573 0.01 1 973 83 97 ASP HB3 H 2.573 0.01 1 974 83 97 ASP C C 178.011 0.1 1 975 83 97 ASP CA C 54.717 0.1 1 976 83 97 ASP CB C 43.650 0.1 1 977 83 97 ASP N N 122.043 0.1 1 978 84 98 PHE H H 8.154 0.01 1 979 84 98 PHE HA H 4.390 0.01 1 980 84 98 PHE HB2 H 3.058 0.01 1 981 84 98 PHE HB3 H 3.058 0.01 1 982 84 98 PHE HD1 H 7.225 0.01 1 983 84 98 PHE HD2 H 7.225 0.01 1 984 84 98 PHE HE1 H 7.120 0.01 1 985 84 98 PHE HE2 H 7.120 0.01 1 986 84 98 PHE C C 175.707 0.1 1 987 84 98 PHE CA C 59.554 0.1 1 988 84 98 PHE CB C 38.200 0.1 1 989 84 98 PHE N N 124.033 0.1 1 990 85 99 GLY H H 8.899 0.01 1 991 85 99 GLY HA2 H 4.230 0.01 2 992 85 99 GLY HA3 H 3.667 0.01 2 993 85 99 GLY C C 174.858 0.1 1 994 85 99 GLY CA C 45.047 0.1 1 995 85 99 GLY N N 107.464 0.1 1 996 86 100 VAL H H 7.223 0.01 1 997 86 100 VAL HA H 3.972 0.01 1 998 86 100 VAL HB H 2.054 0.01 1 999 86 100 VAL HG1 H 0.932 0.01 2 1000 86 100 VAL HG2 H 1.070 0.01 2 1001 86 100 VAL C C 176.152 0.1 1 1002 86 100 VAL CA C 64.251 0.1 1 1003 86 100 VAL N N 122.482 0.1 1 1004 87 101 SER H H 9.409 0.01 1 1005 87 101 SER HA H 4.972 0.01 1 1006 87 101 SER HB2 H 4.402 0.01 2 1007 87 101 SER HB3 H 4.010 0.01 2 1008 87 101 SER C C 175.237 0.1 1 1009 87 101 SER CA C 56.964 0.1 1 1010 87 101 SER CB C 68.100 0.1 1 1011 87 101 SER N N 126.330 0.1 1 1012 88 102 ASP H H 8.687 0.01 1 1013 88 102 ASP HA H 4.160 0.01 1 1014 88 102 ASP HB2 H 2.930 0.01 2 1015 88 102 ASP HB3 H 2.760 0.01 2 1016 88 102 ASP C C 178.163 0.1 1 1017 88 102 ASP CA C 58.326 0.1 1 1018 88 102 ASP CB C 38.800 0.1 1 1019 88 102 ASP N N 120.480 0.1 1 1020 89 103 ALA H H 8.184 0.01 1 1021 89 103 ALA HA H 4.070 0.01 1 1022 89 103 ALA HB H 1.390 0.01 1 1023 89 103 ALA C C 180.290 0.1 1 1024 89 103 ALA CA C 55.099 0.1 1 1025 89 103 ALA CB C 18.403 0.1 1 1026 89 103 ALA N N 120.097 0.1 1 1027 90 104 ASP H H 7.516 0.01 1 1028 90 104 ASP HA H 4.318 0.01 1 1029 90 104 ASP HB2 H 2.530 0.01 1 1030 90 104 ASP HB3 H 2.530 0.01 1 1031 90 104 ASP C C 178.669 0.1 1 1032 90 104 ASP CA C 57.509 0.1 1 1033 90 104 ASP CB C 41.610 0.1 1 1034 90 104 ASP N N 117.707 0.1 1 1035 91 105 ILE H H 7.548 0.01 1 1036 91 105 ILE HA H 3.880 0.01 1 1037 91 105 ILE HB H 2.052 0.01 1 1038 91 105 ILE HD1 H 0.725 0.01 1 1039 91 105 ILE C C 177.917 0.1 1 1040 91 105 ILE CA C 61.924 0.1 1 1041 91 105 ILE N N 117.684 0.1 1 1042 92 106 GLN H H 8.616 0.01 1 1043 92 106 GLN HA H 3.655 0.01 1 1044 92 106 GLN HB2 H 2.130 0.01 1 1045 92 106 GLN HB3 H 2.130 0.01 1 1046 92 106 GLN HG2 H 2.440 0.01 1 1047 92 106 GLN HG3 H 2.440 0.01 1 1048 92 106 GLN HE21 H 7.457 0.01 1 1049 92 106 GLN HE22 H 6.785 0.01 1 1050 92 106 GLN C C 177.418 0.1 1 1051 92 106 GLN CA C 59.961 0.1 1 1052 92 106 GLN CB C 27.840 0.1 1 1053 92 106 GLN N N 121.113 0.1 1 1054 93 107 GLU H H 7.881 0.01 1 1055 93 107 GLU HA H 4.303 0.01 1 1056 93 107 GLU HB2 H 2.060 0.01 1 1057 93 107 GLU HB3 H 2.060 0.01 1 1058 93 107 GLU HG2 H 2.140 0.01 1 1059 93 107 GLU HG3 H 2.140 0.01 1 1060 93 107 GLU C C 179.230 0.1 1 1061 93 107 GLU CA C 59.212 0.1 1 1062 93 107 GLU CB C 29.500 0.1 1 1063 93 107 GLU N N 116.497 0.1 1 1064 94 108 LEU H H 7.569 0.01 1 1065 94 108 LEU HA H 4.032 0.01 1 1066 94 108 LEU HB2 H 1.380 0.01 2 1067 94 108 LEU HB3 H 1.517 0.01 2 1068 94 108 LEU HD1 H 0.740 0.01 2 1069 94 108 LEU HD2 H 0.830 0.01 2 1070 94 108 LEU C C 179.700 0.1 1 1071 94 108 LEU CA C 57.509 0.1 1 1072 94 108 LEU CB C 43.000 0.1 1 1073 94 108 LEU N N 117.663 0.1 1 1074 95 109 PHE H H 7.925 0.01 1 1075 95 109 PHE HA H 4.889 0.01 1 1076 95 109 PHE HB2 H 3.432 0.01 1 1077 95 109 PHE HB3 H 3.432 0.01 1 1078 95 109 PHE HD1 H 7.667 0.01 1 1079 95 109 PHE HD2 H 7.667 0.01 1 1080 95 109 PHE HE1 H 7.026 0.01 1 1081 95 109 PHE HE2 H 7.026 0.01 1 1082 95 109 PHE HZ H 7.114 0.01 1 1083 95 109 PHE C C 176.977 0.1 1 1084 95 109 PHE CA C 61.720 0.1 1 1085 95 109 PHE N N 113.476 0.1 1 1086 96 110 ALA H H 8.496 0.01 1 1087 96 110 ALA HA H 4.428 0.01 1 1088 96 110 ALA HB H 1.562 0.01 1 1089 96 110 ALA C C 179.155 0.1 1 1090 96 110 ALA CA C 54.921 0.1 1 1091 96 110 ALA CB C 18.330 0.1 1 1092 96 110 ALA N N 122.347 0.1 1 1093 97 111 GLU H H 7.280 0.01 1 1094 97 111 GLU HA H 3.977 0.01 1 1095 97 111 GLU HB2 H 1.806 0.01 2 1096 97 111 GLU HB3 H 1.603 0.01 2 1097 97 111 GLU C C 177.219 0.1 1 1098 97 111 GLU CA C 57.918 0.1 1 1099 97 111 GLU CB C 29.689 0.1 1 1100 97 111 GLU N N 113.665 0.1 1 1101 98 112 PHE H H 7.715 0.01 1 1102 98 112 PHE HA H 4.320 0.01 1 1103 98 112 PHE HB2 H 3.379 0.01 2 1104 98 112 PHE HB3 H 3.148 0.01 2 1105 98 112 PHE HD1 H 7.490 0.01 1 1106 98 112 PHE HD2 H 7.490 0.01 1 1107 98 112 PHE HE1 H 7.280 0.01 1 1108 98 112 PHE HE2 H 7.280 0.01 1 1109 98 112 PHE HZ H 6.871 0.01 1 1110 98 112 PHE C C 174.906 0.1 1 1111 98 112 PHE CA C 59.961 0.1 1 1112 98 112 PHE CB C 40.099 0.1 1 1113 98 112 PHE N N 115.398 0.1 1 1114 99 113 GLY H H 7.485 0.01 1 1115 99 113 GLY HA2 H 3.867 0.01 2 1116 99 113 GLY HA3 H 4.780 0.01 2 1117 99 113 GLY C C 172.083 0.1 1 1118 99 113 GLY CA C 44.979 0.1 1 1119 99 113 GLY N N 105.118 0.1 1 1120 100 114 THR H H 8.161 0.01 1 1121 100 114 THR HA H 4.074 0.01 1 1122 100 114 THR HB H 4.066 0.01 1 1123 100 114 THR HG2 H 1.212 0.01 1 1124 100 114 THR C C 175.143 0.1 1 1125 100 114 THR CA C 64.387 0.1 1 1126 100 114 THR CB C 69.493 0.1 1 1127 100 114 THR N N 113.014 0.1 1 1128 101 115 LEU H H 8.824 0.01 1 1129 101 115 LEU HA H 4.451 0.01 1 1130 101 115 LEU HB2 H 1.580 0.01 1 1131 101 115 LEU HB3 H 1.580 0.01 1 1132 101 115 LEU HG H 1.630 0.01 1 1133 101 115 LEU HD1 H -0.071 0.01 2 1134 101 115 LEU HD2 H 0.716 0.01 2 1135 101 115 LEU C C 177.353 0.1 1 1136 101 115 LEU CA C 53.900 0.1 1 1137 101 115 LEU CG C 26.240 0.1 1 1138 101 115 LEU CD1 C 23.560 0.1 2 1139 101 115 LEU CD2 C 25.960 0.1 2 1140 101 115 LEU N N 128.106 0.1 1 1141 102 116 LYS H H 8.861 0.01 1 1142 102 116 LYS HA H 4.266 0.01 1 1143 102 116 LYS HB2 H 1.650 0.01 1 1144 102 116 LYS HB3 H 1.650 0.01 1 1145 102 116 LYS HG2 H 1.226 0.01 1 1146 102 116 LYS HG3 H 1.226 0.01 1 1147 102 116 LYS C C 176.506 0.1 1 1148 102 116 LYS CA C 56.760 0.1 1 1149 102 116 LYS CB C 33.113 0.1 1 1150 102 116 LYS N N 122.137 0.1 1 1151 103 117 LYS H H 7.403 0.01 1 1152 103 117 LYS HA H 4.233 0.01 1 1153 103 117 LYS HB2 H 1.670 0.01 1 1154 103 117 LYS HB3 H 1.670 0.01 1 1155 103 117 LYS HG2 H 1.250 0.01 1 1156 103 117 LYS HG3 H 1.250 0.01 1 1157 103 117 LYS HD2 H 1.640 0.01 1 1158 103 117 LYS HD3 H 1.640 0.01 1 1159 103 117 LYS C C 174.163 0.1 1 1160 103 117 LYS CA C 56.624 0.1 1 1161 103 117 LYS CB C 35.623 0.1 1 1162 103 117 LYS N N 117.370 0.1 1 1163 104 118 ALA H H 8.666 0.01 1 1164 104 118 ALA HA H 4.924 0.01 1 1165 104 118 ALA HB H 1.254 0.01 1 1166 104 118 ALA C C 173.896 0.1 1 1167 104 118 ALA CA C 52.226 0.1 1 1168 104 118 ALA CB C 20.200 0.1 1 1169 104 118 ALA N N 128.342 0.1 1 1170 105 119 ALA H H 8.133 0.01 1 1171 105 119 ALA HA H 4.810 0.01 1 1172 105 119 ALA HB H 1.369 0.01 1 1173 105 119 ALA C C 176.511 0.1 1 1174 105 119 ALA CA C 51.270 0.1 1 1175 105 119 ALA CB C 22.544 0.1 1 1176 105 119 ALA N N 123.936 0.1 1 1177 106 120 VAL H H 9.236 0.01 1 1178 106 120 VAL HA H 3.936 0.01 1 1179 106 120 VAL HB H 1.944 0.01 1 1180 106 120 VAL HG1 H 0.727 0.01 2 1181 106 120 VAL HG2 H 0.478 0.01 2 1182 106 120 VAL C C 175.094 0.1 1 1183 106 120 VAL CA C 62.753 0.1 1 1184 106 120 VAL CG1 C 22.860 0.1 2 1185 106 120 VAL CG2 C 20.642 0.1 2 1186 106 120 VAL N N 128.263 0.1 1 1187 107 121 ASP H H 8.434 0.01 1 1188 107 121 ASP HA H 4.658 0.01 1 1189 107 121 ASP HB2 H 2.388 0.01 1 1190 107 121 ASP HB3 H 2.388 0.01 1 1191 107 121 ASP CA C 54.513 0.1 1 1192 107 121 ASP N N 125.613 0.1 1 1193 108 122 TYR H H 8.347 0.01 1 1194 108 122 TYR HA H 5.051 0.01 1 1195 108 122 TYR HB2 H 2.755 0.01 1 1196 108 122 TYR HB3 H 2.755 0.01 1 1197 108 122 TYR HD1 H 6.918 0.01 1 1198 108 122 TYR HD2 H 6.918 0.01 1 1199 108 122 TYR HE1 H 6.904 0.01 1 1200 108 122 TYR HE2 H 6.904 0.01 1 1201 108 122 TYR CA C 57.305 0.1 1 1202 108 122 TYR CB C 42.315 0.1 1 1203 108 122 TYR N N 120.490 0.1 1 1204 109 123 ASP H H 8.983 0.01 1 1205 109 123 ASP HA H 4.694 0.01 1 1206 109 123 ASP HB2 H 2.770 0.01 2 1207 109 123 ASP HB3 H 2.689 0.01 2 1208 109 123 ASP C C 178.400 0.1 1 1209 109 123 ASP CA C 52.470 0.1 1 1210 109 123 ASP N N 121.292 0.1 1 1211 110 124 ARG H H 8.446 0.01 1 1212 110 124 ARG HA H 4.169 0.01 1 1213 110 124 ARG HB2 H 1.931 0.01 2 1214 110 124 ARG HB3 H 1.928 0.01 2 1215 110 124 ARG HG2 H 1.743 0.01 1 1216 110 124 ARG HG3 H 1.743 0.01 1 1217 110 124 ARG C C 177.597 0.1 1 1218 110 124 ARG CA C 58.620 0.1 1 1219 110 124 ARG CB C 29.522 0.1 1 1220 110 124 ARG CG C 27.050 0.1 1 1221 110 124 ARG N N 117.704 0.1 1 1222 111 125 SER H H 8.391 0.01 1 1223 111 125 SER HA H 4.562 0.01 1 1224 111 125 SER HB2 H 3.966 0.01 1 1225 111 125 SER HB3 H 3.966 0.01 1 1226 111 125 SER C C 174.614 0.1 1 1227 111 125 SER CA C 58.566 0.1 1 1228 111 125 SER CB C 64.220 0.1 1 1229 111 125 SER N N 115.656 0.1 1 1230 112 126 GLY H H 8.211 0.01 1 1231 112 126 GLY HA2 H 4.168 0.01 2 1232 112 126 GLY HA3 H 3.545 0.01 2 1233 112 126 GLY C C 173.678 0.1 1 1234 112 126 GLY CA C 45.592 0.1 1 1235 112 126 GLY N N 109.901 0.1 1 1236 113 127 ARG H H 8.252 0.01 1 1237 113 127 ARG HA H 4.487 0.01 1 1238 113 127 ARG HB2 H 1.810 0.01 1 1239 113 127 ARG HB3 H 1.810 0.01 1 1240 113 127 ARG HG2 H 1.580 0.01 1 1241 113 127 ARG HG3 H 1.580 0.01 1 1242 113 127 ARG HD2 H 3.110 0.01 1 1243 113 127 ARG HD3 H 3.110 0.01 1 1244 113 127 ARG C C 176.426 0.1 1 1245 113 127 ARG CA C 55.398 0.1 1 1246 113 127 ARG CB C 30.928 0.1 1 1247 113 127 ARG CG C 27.050 0.1 1 1248 113 127 ARG CD C 42.420 0.1 1 1249 113 127 ARG N N 122.299 0.1 1 1250 114 128 SER H H 8.793 0.01 1 1251 114 128 SER HA H 4.074 0.01 1 1252 114 128 SER HB2 H 3.838 0.01 1 1253 114 128 SER HB3 H 3.838 0.01 1 1254 114 128 SER C C 176.086 0.1 1 1255 114 128 SER CA C 58.258 0.1 1 1256 114 128 SER CB C 64.028 0.1 1 1257 114 128 SER N N 118.725 0.1 1 1258 115 129 LEU H H 8.735 0.01 1 1259 115 129 LEU HA H 4.400 0.01 1 1260 115 129 LEU HB2 H 1.507 0.01 2 1261 115 129 LEU HB3 H 1.660 0.01 2 1262 115 129 LEU HG H 1.505 0.01 1 1263 115 129 LEU HD1 H 0.680 0.01 2 1264 115 129 LEU HD2 H 0.926 0.01 2 1265 115 129 LEU C C 178.919 0.1 1 1266 115 129 LEU CA C 55.126 0.1 1 1267 115 129 LEU CG C 27.507 0.1 1 1268 115 129 LEU CD1 C 25.940 0.1 2 1269 115 129 LEU CD2 C 23.540 0.1 2 1270 115 129 LEU N N 125.451 0.1 1 1271 116 130 GLY H H 9.571 0.01 1 1272 116 130 GLY HA2 H 4.095 0.01 2 1273 116 130 GLY HA3 H 3.440 0.01 2 1274 116 130 GLY C C 172.309 0.1 1 1275 116 130 GLY CA C 46.137 0.1 1 1276 116 130 GLY N N 109.568 0.1 1 1277 117 131 THR H H 7.034 0.01 1 1278 117 131 THR HA H 5.341 0.01 1 1279 117 131 THR HB H 4.311 0.01 1 1280 117 131 THR HG2 H 1.068 0.01 1 1281 117 131 THR C C 172.630 0.1 1 1282 117 131 THR CA C 58.599 0.1 1 1283 117 131 THR N N 106.858 0.1 1 1284 118 132 ALA H H 9.137 0.01 1 1285 118 132 ALA HA H 4.290 0.01 1 1286 118 132 ALA HB H 0.905 0.01 1 1287 118 132 ALA C C 174.601 0.1 1 1288 118 132 ALA CA C 56.520 0.1 1 1289 118 132 ALA CB C 23.532 0.1 1 1290 118 132 ALA N N 119.580 0.1 1 1291 119 133 ASP H H 8.178 0.01 1 1292 119 133 ASP HA H 5.090 0.01 1 1293 119 133 ASP HB2 H 2.628 0.01 2 1294 119 133 ASP HB3 H 2.557 0.01 2 1295 119 133 ASP CA C 52.944 0.1 1 1296 119 133 ASP CB C 43.740 0.1 1 1297 119 133 ASP N N 121.569 0.1 1 1298 120 134 VAL H H 8.198 0.01 1 1299 120 134 VAL HA H 4.379 0.01 1 1300 120 134 VAL HB H 1.623 0.01 1 1301 120 134 VAL HG1 H 0.270 0.01 2 1302 120 134 VAL HG2 H 0.300 0.01 2 1303 120 134 VAL C C 173.988 0.1 1 1304 120 134 VAL CA C 61.329 0.1 1 1305 120 134 VAL CB C 34.124 0.1 1 1306 120 134 VAL CG1 C 22.750 0.1 1 1307 120 134 VAL CG2 C 22.750 0.1 1 1308 120 134 VAL N N 123.085 0.1 1 1309 121 135 HIS H H 9.178 0.01 1 1310 121 135 HIS HA H 5.410 0.01 1 1311 121 135 HIS HB2 H 2.882 0.01 1 1312 121 135 HIS HB3 H 2.882 0.01 1 1313 121 135 HIS HD2 H 6.866 0.01 1 1314 121 135 HIS HE1 H 7.770 0.01 1 1315 121 135 HIS C C 175.092 0.1 1 1316 121 135 HIS CA C 53.587 0.1 1 1317 121 135 HIS N N 127.527 0.1 1 1318 122 136 PHE H H 9.230 0.01 1 1319 122 136 PHE HA H 4.840 0.01 1 1320 122 136 PHE HB2 H 2.700 0.01 1 1321 122 136 PHE HB3 H 2.700 0.01 1 1322 122 136 PHE HD1 H 7.227 0.01 1 1323 122 136 PHE HD2 H 7.227 0.01 1 1324 122 136 PHE HE1 H 7.270 0.01 1 1325 122 136 PHE HE2 H 7.270 0.01 1 1326 122 136 PHE CA C 58.394 0.1 1 1327 122 136 PHE N N 125.409 0.1 1 1328 123 137 GLU H H 8.131 0.01 1 1329 123 137 GLU HA H 4.080 0.01 1 1330 123 137 GLU C C 176.674 0.1 1 1331 123 137 GLU CA C 59.457 0.1 1 1332 123 137 GLU N N 120.783 0.1 1 1333 124 138 ARG H H 9.230 0.01 1 1334 124 138 ARG HA H 4.853 0.01 1 1335 124 138 ARG HB2 H 1.944 0.01 2 1336 124 138 ARG HB3 H 1.941 0.01 2 1337 124 138 ARG C C 177.030 0.1 1 1338 124 138 ARG CA C 54.309 0.1 1 1339 124 138 ARG N N 115.253 0.1 1 1340 125 139 ARG H H 9.317 0.01 1 1341 125 139 ARG HA H 3.667 0.01 1 1342 125 139 ARG HB2 H 1.797 0.01 2 1343 125 139 ARG HB3 H 1.793 0.01 2 1344 125 139 ARG C C 177.361 0.1 1 1345 125 139 ARG CA C 60.097 0.1 1 1346 125 139 ARG N N 127.584 0.1 1 1347 126 140 ALA H H 9.106 0.01 1 1348 126 140 ALA HA H 3.930 0.01 1 1349 126 140 ALA HB H 1.403 0.01 1 1350 126 140 ALA C C 180.085 0.1 1 1351 126 140 ALA CA C 55.330 0.1 1 1352 126 140 ALA CB C 18.815 0.1 1 1353 126 140 ALA N N 118.591 0.1 1 1354 127 141 ASP H H 6.728 0.01 1 1355 127 141 ASP HA H 4.306 0.01 1 1356 127 141 ASP HB2 H 2.622 0.01 2 1357 127 141 ASP HB3 H 2.832 0.01 2 1358 127 141 ASP C C 176.459 0.1 1 1359 127 141 ASP CA C 56.828 0.1 1 1360 127 141 ASP CB C 40.475 0.1 1 1361 127 141 ASP N N 117.883 0.1 1 1362 128 142 ALA H H 6.668 0.01 1 1363 128 142 ALA HA H 2.811 0.01 1 1364 128 142 ALA HB H 1.137 0.01 1 1365 128 142 ALA C C 179.162 0.1 1 1366 128 142 ALA CA C 54.172 0.1 1 1367 128 142 ALA CB C 18.713 0.1 1 1368 128 142 ALA N N 121.631 0.1 1 1369 129 143 LEU H H 7.827 0.01 1 1370 129 143 LEU HA H 3.789 0.01 1 1371 129 143 LEU HB2 H 1.662 0.01 2 1372 129 143 LEU HB3 H 1.442 0.01 2 1373 129 143 LEU HG H 1.670 0.01 1 1374 129 143 LEU HD1 H 0.776 0.01 2 1375 129 143 LEU HD2 H 0.829 0.01 2 1376 129 143 LEU C C 179.736 0.1 1 1377 129 143 LEU CA C 57.986 0.1 1 1378 129 143 LEU CB C 41.252 0.1 1 1379 129 143 LEU CG C 26.650 0.1 1 1380 129 143 LEU CD1 C 23.430 0.1 2 1381 129 143 LEU CD2 C 25.160 0.1 2 1382 129 143 LEU N N 115.984 0.1 1 1383 130 144 LYS H H 7.287 0.01 1 1384 130 144 LYS HA H 3.838 0.01 1 1385 130 144 LYS HB2 H 1.968 0.01 2 1386 130 144 LYS HB3 H 1.956 0.01 2 1387 130 144 LYS HG2 H 1.515 0.01 2 1388 130 144 LYS HG3 H 1.660 0.01 2 1389 130 144 LYS HD2 H 1.660 0.01 1 1390 130 144 LYS HD3 H 1.660 0.01 1 1391 130 144 LYS HE2 H 3.094 0.01 1 1392 130 144 LYS HE3 H 3.094 0.01 1 1393 130 144 LYS C C 178.341 0.1 1 1394 130 144 LYS CA C 59.824 0.1 1 1395 130 144 LYS CB C 33.014 0.1 1 1396 130 144 LYS CG C 25.300 0.1 1 1397 130 144 LYS CE C 42.440 0.1 1 1398 130 144 LYS N N 120.043 0.1 1 1399 131 145 ALA H H 7.520 0.01 1 1400 131 145 ALA HA H 2.440 0.01 1 1401 131 145 ALA HB H 1.144 0.01 1 1402 131 145 ALA C C 178.922 0.1 1 1403 131 145 ALA CA C 54.581 0.1 1 1404 131 145 ALA CB C 19.646 0.1 1 1405 131 145 ALA N N 122.225 0.1 1 1406 132 146 MET H H 8.089 0.01 1 1407 132 146 MET HA H 3.809 0.01 1 1408 132 146 MET HB2 H 2.197 0.01 2 1409 132 146 MET HB3 H 1.853 0.01 2 1410 132 146 MET HG2 H 2.430 0.01 1 1411 132 146 MET HG3 H 2.430 0.01 1 1412 132 146 MET C C 177.165 0.1 1 1413 132 146 MET CA C 59.688 0.1 1 1414 132 146 MET N N 116.085 0.1 1 1415 133 147 LYS H H 7.757 0.01 1 1416 133 147 LYS HA H 3.936 0.01 1 1417 133 147 LYS HB2 H 1.846 0.01 1 1418 133 147 LYS HB3 H 1.846 0.01 1 1419 133 147 LYS HG2 H 1.440 0.01 1 1420 133 147 LYS HG3 H 1.440 0.01 1 1421 133 147 LYS HD2 H 1.650 0.01 1 1422 133 147 LYS HD3 H 1.650 0.01 1 1423 133 147 LYS HE2 H 2.947 0.01 1 1424 133 147 LYS HE3 H 2.947 0.01 1 1425 133 147 LYS C C 178.717 0.1 1 1426 133 147 LYS CA C 59.075 0.1 1 1427 133 147 LYS CB C 32.081 0.1 1 1428 133 147 LYS CG C 25.020 0.1 1 1429 133 147 LYS CD C 29.480 0.1 1 1430 133 147 LYS CE C 42.270 0.1 1 1431 133 147 LYS N N 117.349 0.1 1 1432 134 148 GLN H H 7.530 0.01 1 1433 134 148 GLN HA H 3.940 0.01 1 1434 134 148 GLN HB2 H 1.944 0.01 1 1435 134 148 GLN HB3 H 1.944 0.01 1 1436 134 148 GLN HE21 H 7.035 0.01 1 1437 134 148 GLN HE22 H 6.858 0.01 1 1438 134 148 GLN C C 177.554 0.1 1 1439 134 148 GLN CA C 58.190 0.1 1 1440 134 148 GLN N N 116.351 0.1 1 1441 134 148 GLN NE2 N 112.018 0.1 1 1442 135 149 TYR H H 7.563 0.01 1 1443 135 149 TYR HA H 4.910 0.01 1 1444 135 149 TYR HB2 H 3.473 0.01 1 1445 135 149 TYR HB3 H 3.473 0.01 1 1446 135 149 TYR HD1 H 6.810 0.01 1 1447 135 149 TYR HD2 H 6.810 0.01 1 1448 135 149 TYR HE1 H 6.650 0.01 1 1449 135 149 TYR HE2 H 6.650 0.01 1 1450 135 149 TYR CA C 58.476 0.1 1 1451 135 149 TYR N N 112.522 0.1 1 1452 136 150 LYS H H 8.268 0.01 1 1453 136 150 LYS HA H 3.857 0.01 1 1454 136 150 LYS HB2 H 1.992 0.01 2 1455 136 150 LYS HB3 H 1.968 0.01 2 1456 136 150 LYS HG2 H 1.822 0.01 1 1457 136 150 LYS HG3 H 1.822 0.01 1 1458 136 150 LYS HD2 H 1.786 0.01 1 1459 136 150 LYS HD3 H 1.786 0.01 1 1460 136 150 LYS C C 178.022 0.1 1 1461 136 150 LYS CA C 60.344 0.1 1 1462 136 150 LYS CB C 32.450 0.1 1 1463 136 150 LYS N N 122.456 0.1 1 1464 137 151 GLY H H 9.175 0.01 1 1465 137 151 GLY HA2 H 4.240 0.01 2 1466 137 151 GLY HA3 H 3.660 0.01 2 1467 137 151 GLY C C 173.631 0.1 1 1468 137 151 GLY CA C 45.864 0.1 1 1469 137 151 GLY N N 116.649 0.1 1 1470 138 152 VAL H H 8.124 0.01 1 1471 138 152 VAL HA H 4.325 0.01 1 1472 138 152 VAL HB H 2.359 0.01 1 1473 138 152 VAL HG1 H 1.055 0.01 1 1474 138 152 VAL HG2 H 1.055 0.01 1 1475 138 152 VAL C C 175.058 0.1 1 1476 138 152 VAL CA C 60.914 0.1 1 1477 138 152 VAL CB C 32.860 0.1 1 1478 138 152 VAL CG1 C 20.530 0.1 1 1479 138 152 VAL CG2 C 20.530 0.1 1 1480 138 152 VAL N N 124.385 0.1 1 1481 139 153 PRO C C 175.455 0.1 1 1482 139 153 PRO CA C 62.410 0.1 1 1483 140 154 LEU H H 8.047 0.01 1 1484 140 154 LEU HA H 4.556 0.01 1 1485 140 154 LEU HB2 H 1.820 0.01 2 1486 140 154 LEU HB3 H 1.700 0.01 2 1487 140 154 LEU HG H 1.370 0.01 1 1488 140 154 LEU HD1 H 0.806 0.01 1 1489 140 154 LEU HD2 H 0.806 0.01 1 1490 140 154 LEU C C 176.679 0.1 1 1491 140 154 LEU CA C 54.309 0.1 1 1492 140 154 LEU N N 126.023 0.1 1 1493 141 155 ASP H H 9.559 0.01 1 1494 141 155 ASP HA H 4.531 0.01 1 1495 141 155 ASP C C 175.992 0.1 1 1496 141 155 ASP CA C 55.602 0.1 1 1497 141 155 ASP N N 129.422 0.1 1 1498 142 156 GLY H H 8.376 0.01 1 1499 142 156 GLY HA2 H 4.221 0.01 2 1500 142 156 GLY HA3 H 3.599 0.01 2 1501 142 156 GLY C C 174.245 0.1 1 1502 142 156 GLY CA C 45.556 0.1 1 1503 142 156 GLY N N 101.407 0.1 1 1504 143 157 ARG H H 7.544 0.01 1 1505 143 157 ARG HA H 4.981 0.01 1 1506 143 157 ARG HB2 H 1.857 0.01 1 1507 143 157 ARG HB3 H 1.857 0.01 1 1508 143 157 ARG C C 175.024 0.1 1 1509 143 157 ARG CA C 53.083 0.1 1 1510 143 157 ARG N N 120.835 0.1 1 1511 144 158 PRO HA H 3.920 0.01 1 1512 144 158 PRO HB2 H 1.860 0.01 2 1513 144 158 PRO HB3 H 2.010 0.01 2 1514 144 158 PRO HD2 H 2.640 0.01 1 1515 144 158 PRO HD3 H 2.640 0.01 1 1516 144 158 PRO C C 176.357 0.1 1 1517 144 158 PRO CA C 63.025 0.1 1 1518 144 158 PRO CB C 31.864 0.1 1 1519 145 159 MET H H 8.247 0.01 1 1520 145 159 MET HA H 4.303 0.01 1 1521 145 159 MET HB2 H 1.918 0.01 1 1522 145 159 MET HB3 H 1.918 0.01 1 1523 145 159 MET HG2 H 2.400 0.01 1 1524 145 159 MET HG3 H 2.400 0.01 1 1525 145 159 MET C C 176.136 0.1 1 1526 145 159 MET CA C 57.650 0.1 1 1527 145 159 MET CB C 31.459 0.1 1 1528 145 159 MET CG C 34.080 0.1 1 1529 145 159 MET N N 126.810 0.1 1 1530 146 160 ASP H H 8.063 0.01 1 1531 146 160 ASP HA H 5.134 0.01 1 1532 146 160 ASP HB2 H 2.730 0.01 2 1533 146 160 ASP HB3 H 2.470 0.01 2 1534 146 160 ASP C C 175.692 0.1 1 1535 146 160 ASP CA C 53.219 0.1 1 1536 146 160 ASP CB C 42.184 0.1 1 1537 146 160 ASP N N 125.554 0.1 1 1538 147 161 ILE H H 7.678 0.01 1 1539 147 161 ILE HA H 4.975 0.01 1 1540 147 161 ILE HB H 1.500 0.01 1 1541 147 161 ILE HG12 H 1.050 0.01 1 1542 147 161 ILE HG13 H 1.050 0.01 1 1543 147 161 ILE HG2 H 0.876 0.01 1 1544 147 161 ILE HD1 H 0.750 0.01 1 1545 147 161 ILE C C 173.867 0.1 1 1546 147 161 ILE CA C 61.050 0.1 1 1547 147 161 ILE CB C 40.475 0.1 1 1548 147 161 ILE N N 121.470 0.1 1 1549 148 162 GLN H H 8.508 0.01 1 1550 148 162 GLN HA H 4.706 0.01 1 1551 148 162 GLN HB2 H 2.071 0.01 1 1552 148 162 GLN HB3 H 2.071 0.01 1 1553 148 162 GLN HG2 H 2.270 0.01 1 1554 148 162 GLN HG3 H 2.270 0.01 1 1555 148 162 GLN HE21 H 7.660 0.01 1 1556 148 162 GLN HE22 H 6.740 0.01 1 1557 148 162 GLN C C 173.861 0.1 1 1558 148 162 GLN CA C 53.832 0.1 1 1559 148 162 GLN CG C 33.750 0.1 1 1560 148 162 GLN N N 124.364 0.1 1 1561 148 162 GLN NE2 N 112.636 0.1 1 1562 149 163 LEU H H 8.603 0.01 1 1563 149 163 LEU HA H 4.750 0.01 1 1564 149 163 LEU HB2 H 1.665 0.01 2 1565 149 163 LEU HB3 H 1.386 0.01 2 1566 149 163 LEU HD1 H 0.750 0.01 2 1567 149 163 LEU HD2 H 0.857 0.01 2 1568 149 163 LEU C C 176.700 0.1 1 1569 149 163 LEU CA C 55.058 0.1 1 1570 149 163 LEU CB C 43.117 0.1 1 1571 149 163 LEU CD1 C 25.830 0.1 1 1572 149 163 LEU CD2 C 25.830 0.1 1 1573 149 163 LEU N N 126.105 0.1 1 1574 150 164 VAL H H 8.626 0.01 1 1575 150 164 VAL HA H 4.099 0.01 1 1576 150 164 VAL HB H 1.980 0.01 1 1577 150 164 VAL HG1 H 0.800 0.01 1 1578 150 164 VAL HG2 H 0.800 0.01 1 1579 150 164 VAL C C 175.332 0.1 1 1580 150 164 VAL CA C 62.548 0.1 1 1581 150 164 VAL CB C 33.169 0.1 1 1582 150 164 VAL CG1 C 21.380 0.1 1 1583 150 164 VAL CG2 C 21.380 0.1 1 1584 150 164 VAL N N 126.957 0.1 1 1585 151 165 ALA H H 8.461 0.01 1 1586 151 165 ALA HA H 4.416 0.01 1 1587 151 165 ALA HB H 1.392 0.01 1 1588 151 165 ALA C C 177.315 0.1 1 1589 151 165 ALA CA C 52.266 0.1 1 1590 151 165 ALA CB C 19.767 0.1 1 1591 151 165 ALA N N 129.000 0.1 1 1592 152 166 SER H H 8.326 0.01 1 1593 152 166 SER HA H 4.404 0.01 1 1594 152 166 SER HB2 H 3.833 0.01 1 1595 152 166 SER HB3 H 3.833 0.01 1 1596 152 166 SER C C 174.481 0.1 1 1597 152 166 SER CA C 58.462 0.1 1 1598 152 166 SER CB C 63.943 0.1 1 1599 152 166 SER N N 115.767 0.1 1 1600 153 167 GLN H H 8.471 0.01 1 1601 153 167 GLN HA H 4.328 0.01 1 1602 153 167 GLN HB2 H 2.096 0.01 2 1603 153 167 GLN HB3 H 1.994 0.01 2 1604 153 167 GLN HG2 H 2.330 0.01 1 1605 153 167 GLN HG3 H 2.330 0.01 1 1606 153 167 GLN HE21 H 7.564 0.01 1 1607 153 167 GLN HE22 H 6.823 0.01 1 1608 153 167 GLN C C 175.944 0.1 1 1609 153 167 GLN CA C 56.321 0.1 1 1610 153 167 GLN CB C 29.439 0.1 1 1611 153 167 GLN CG C 34.000 0.1 1 1612 153 167 GLN N N 122.259 0.1 1 1613 153 167 GLN NE2 N 112.493 0.1 1 1614 154 168 ILE H H 8.058 0.01 1 1615 154 168 ILE HA H 4.112 0.01 1 1616 154 168 ILE HB H 1.820 0.01 1 1617 154 168 ILE HG12 H 1.150 0.01 2 1618 154 168 ILE HG13 H 1.440 0.01 2 1619 154 168 ILE HG2 H 0.855 0.01 1 1620 154 168 ILE HD1 H 0.836 0.01 1 1621 154 168 ILE C C 175.741 0.1 1 1622 154 168 ILE CA C 61.670 0.1 1 1623 154 168 ILE CB C 38.978 0.1 1 1624 154 168 ILE CG1 C 27.520 0.1 1 1625 154 168 ILE CG2 C 17.620 0.1 1 1626 154 168 ILE CD1 C 13.152 0.1 1 1627 154 168 ILE N N 121.072 0.1 1 1628 155 169 ASP H H 8.253 0.01 1 1629 155 169 ASP HA H 4.594 0.01 1 1630 155 169 ASP HB2 H 2.720 0.01 2 1631 155 169 ASP HB3 H 2.632 0.01 2 1632 155 169 ASP C C 176.558 0.1 1 1633 155 169 ASP CA C 54.445 0.1 1 1634 155 169 ASP CB C 41.107 0.1 1 1635 155 169 ASP N N 123.796 0.1 1 1636 156 170 LEU H H 8.130 0.01 1 1637 156 170 LEU HA H 4.213 0.01 1 1638 156 170 LEU HB2 H 1.610 0.01 2 1639 156 170 LEU HB3 H 1.527 0.01 2 1640 156 170 LEU HG H 1.633 0.01 1 1641 156 170 LEU HD1 H 0.771 0.01 2 1642 156 170 LEU HD2 H 0.820 0.01 2 1643 156 170 LEU C C 177.884 0.1 1 1644 156 170 LEU CA C 55.799 0.1 1 1645 156 170 LEU CB C 42.133 0.1 1 1646 156 170 LEU CG C 27.230 0.1 1 1647 156 170 LEU CD1 C 23.615 0.1 2 1648 156 170 LEU CD2 C 24.940 0.1 2 1649 156 170 LEU N N 122.792 0.1 1 1650 157 171 GLU H H 8.200 0.01 1 1651 157 171 GLU HA H 4.139 0.01 1 1652 157 171 GLU HB2 H 1.893 0.01 1 1653 157 171 GLU HB3 H 1.893 0.01 1 1654 157 171 GLU HG2 H 2.203 0.01 2 1655 157 171 GLU HG3 H 2.117 0.01 2 1656 157 171 GLU C C 176.630 0.1 1 1657 157 171 GLU CA C 57.149 0.1 1 1658 157 171 GLU CB C 29.927 0.1 1 1659 157 171 GLU CG C 36.330 0.1 1 1660 157 171 GLU N N 119.808 0.1 1 1661 158 172 HIS H H 8.071 0.01 1 1662 158 172 HIS C C 174.990 0.1 1 1663 158 172 HIS CA C 56.215 0.1 1 1664 158 172 HIS CB C 29.689 0.1 1 1665 158 172 HIS N N 118.489 0.1 1 stop_ save_