data_6760 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; NMR assignment of the mTOR domain responsible for rapamycin binding ; _BMRB_accession_number 6760 _BMRB_flat_file_name bmr6760.str _Entry_type original _Submission_date 2005-08-04 _Accession_date 2005-08-05 _Entry_origination author _NMR_STAR_version 2.1.1 _Experimental_method NMR _Details . loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Veverka Vaclav . . 2 Lennie Gregor . . 3 Crabbe Tom . . 4 Bird Ian . . 5 Taylor Richard J. . 6 Carr Mark D. . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 687 "13C chemical shifts" 347 "15N chemical shifts" 117 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2007-02-05 update BMRB 'complete entry citation' 2006-03-10 original author 'original release' stop_ save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title 'NMR assignment of the mTOR domain responsible for rapamycin binding' _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 16456707 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Veverka Vaclav . . 2 Lennie Gregor . . 3 Crabbe Tom . . 4 Bird Ian . . 5 Taylor Richard J. . 6 Carr Mark D. . 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 3 _Page_last 3 _Year 2006 _Details . loop_ _Keyword 'FRB domain' mTOR 'NMR resonance assignments' 'secondary structure' stop_ save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name 'FRB domain' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label 'FRB domain' $FRB_domain_polypeptide stop_ _System_molecular_weight . _System_physical_state native _System_oligomer_state ? _System_paramagnetic no _System_thiol_state 'all free' _Database_query_date . _Details 'mTOR domain responsible for rapamycin binding' save_ ######################## # Monomeric polymers # ######################## save_FRB_domain_polypeptide _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common 'FRB domain' _Molecular_mass . _Mol_thiol_state 'all free' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 126 _Mol_residue_sequence ; MSYYHHHHHHDYDIPTTENL YFQGAMELIRVPILWHEMWH EGLEEASRLYFGERNVKGMF EVLEPLHAMMERGPQTLKET SFNQAYGRDLMEAQEWCRKY MKSGNVKDLTQAWDLYYHVF RRISKQ ; loop_ _Residue_seq_code _Residue_label 1 MET 2 SER 3 TYR 4 TYR 5 HIS 6 HIS 7 HIS 8 HIS 9 HIS 10 HIS 11 ASP 12 TYR 13 ASP 14 ILE 15 PRO 16 THR 17 THR 18 GLU 19 ASN 20 LEU 21 TYR 22 PHE 23 GLN 24 GLY 25 ALA 26 MET 27 GLU 28 LEU 29 ILE 30 ARG 31 VAL 32 PRO 33 ILE 34 LEU 35 TRP 36 HIS 37 GLU 38 MET 39 TRP 40 HIS 41 GLU 42 GLY 43 LEU 44 GLU 45 GLU 46 ALA 47 SER 48 ARG 49 LEU 50 TYR 51 PHE 52 GLY 53 GLU 54 ARG 55 ASN 56 VAL 57 LYS 58 GLY 59 MET 60 PHE 61 GLU 62 VAL 63 LEU 64 GLU 65 PRO 66 LEU 67 HIS 68 ALA 69 MET 70 MET 71 GLU 72 ARG 73 GLY 74 PRO 75 GLN 76 THR 77 LEU 78 LYS 79 GLU 80 THR 81 SER 82 PHE 83 ASN 84 GLN 85 ALA 86 TYR 87 GLY 88 ARG 89 ASP 90 LEU 91 MET 92 GLU 93 ALA 94 GLN 95 GLU 96 TRP 97 CYS 98 ARG 99 LYS 100 TYR 101 MET 102 LYS 103 SER 104 GLY 105 ASN 106 VAL 107 LYS 108 ASP 109 LEU 110 THR 111 GLN 112 ALA 113 TRP 114 ASP 115 LEU 116 TYR 117 TYR 118 HIS 119 VAL 120 PHE 121 ARG 122 ARG 123 ILE 124 SER 125 LYS 126 GLN 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 BMRB 11471 entity_2 74.60 94 98.94 98.94 2.58e-62 BMRB 16933 FRB 79.37 102 99.00 99.00 8.71e-67 PDB 1AUE "Fkbp-Rapamycin Binding Domain (Frb) Of The Fkbp-Rapamycin Associated Protein" 79.37 100 99.00 99.00 1.11e-66 PDB 1FAP "The Structure Of The Immunophilin-Immunosuppressant Fkbp12- Rapamycin Complex Interacting With Human Frap" 74.60 95 98.94 98.94 2.66e-62 PDB 1NSG "The Structure Of The Immunophilin-immunosuppressant Fkbp12-rapamycin Complex Interacting With Human Frap" 74.60 94 98.94 98.94 2.58e-62 PDB 2FAP "The Structure Of The Immunophilin-immunosuppressant Fkbp12-(c16)- Ethoxy Rapamycin Complex Interacting With Huma" 74.60 94 98.94 98.94 2.58e-62 PDB 2GAQ "Nmr Solution Structure Of The Frb Domain Of Mtor" 79.37 100 99.00 99.00 1.11e-66 PDB 2NPU "The Solution Structure Of The Rapamycin-Binding Domain Of Mtor (Frb)" 100.00 126 100.00 100.00 3.65e-89 PDB 2RSE "Nmr Structure Of Fkbp12-Mtor Frb Domain-Rapamycin Complex Structure Determined Based On Pcs" 74.60 94 98.94 98.94 2.58e-62 PDB 3FAP "Atomic Structures Of The Rapamycin Analogs In Complex With Both Human Fkbp12 And Frb Domain Of Frap" 74.60 94 98.94 98.94 2.58e-62 PDB 4DRH "Co-crystal Structure Of The Ppiase Domain Of Fkbp51, Rapamycin And The Frb Fragment Of Mtor At Low Ph" 71.43 98 100.00 100.00 2.07e-59 PDB 4DRI "Co-crystal Structure Of The Ppiase Domain Of Fkbp51, Rapamycin And The Frb Fragment Of Mtor" 71.43 98 100.00 100.00 2.07e-59 PDB 4DRJ "O-crystal Structure Of The Ppiase Domain Of Fkbp52, Rapamycin And The Frb Fragment Of Mtor" 71.43 98 100.00 100.00 2.07e-59 PDB 4FAP "Atomic Structures Of The Rapamycin Analogs In Complex With Both Human Fkbp12 And Frb Domain Of Frap" 74.60 94 98.94 98.94 2.58e-62 REF XP_007536126 "PREDICTED: serine/threonine-protein kinase mTOR [Erinaceus europaeus]" 79.37 2607 98.00 98.00 8.91e-60 REF XP_007895970 "PREDICTED: serine/threonine-protein kinase mTOR [Callorhinchus milii]" 79.37 2515 97.00 98.00 1.71e-59 stop_ save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species $FRB_domain_polypeptide Human 9606 Eukaryota Metazoa Homo sapiens 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 $FRB_domain_polypeptide 'recombinant technology' . . . . . stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $FRB_domain_polypeptide 0.1 mM [U-15N] stop_ save_ save_sample_2 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $FRB_domain_polypeptide 0.1 mM '[U-15N; U-13C]' stop_ save_ save_sample_3 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $FRB_domain_polypeptide 0.1 mM . stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_600_Mhz _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model DRX _Field_strength 600 _Details . save_ ############################# # NMR applied experiments # ############################# save_1H15N_HSQC_NOESY_1 _Saveframe_category NMR_applied_experiment _Experiment_name 1H15N_HSQC_NOESY _Sample_label . save_ save_HNCACB_2 _Saveframe_category NMR_applied_experiment _Experiment_name HNCACB _Sample_label . save_ save_CBCACONH_3 _Saveframe_category NMR_applied_experiment _Experiment_name CBCACONH _Sample_label . save_ save_HCCH-TOCSY_4 _Saveframe_category NMR_applied_experiment _Experiment_name HCCH-TOCSY _Sample_label . save_ save_1H13C_HSQC_NOESY_5 _Saveframe_category NMR_applied_experiment _Experiment_name 1H13C_HSQC_NOESY _Sample_label . save_ save_1H15N_HSQC_NOESY _Saveframe_category NMR_applied_experiment _Experiment_name 1H15N_HSQC_NOESY _BMRB_pulse_sequence_accession_number . _Details . save_ save_HNCACB _Saveframe_category NMR_applied_experiment _Experiment_name HNCACB _BMRB_pulse_sequence_accession_number . _Details . save_ save_CBCACONH _Saveframe_category NMR_applied_experiment _Experiment_name CBCACONH _BMRB_pulse_sequence_accession_number . _Details . save_ save_HCCH-TOCSY _Saveframe_category NMR_applied_experiment _Experiment_name HCCH-TOCSY _BMRB_pulse_sequence_accession_number . _Details . save_ save_1H13C_HSQC_NOESY _Saveframe_category NMR_applied_experiment _Experiment_name 1H13C_HSQC_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 7.0 0.1 pH temperature 298 1 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 _Indirect_shift_ratio_citation_label _Correction_value_citation_label DSS C 13 'methyl protons' ppm 0.0 . indirect . . . 0.251449530 $entry_citation $entry_citation DSS H 1 'methyl protons' ppm 0.0 internal direct . . . 1.0 $entry_citation $entry_citation DSS N 15 'methyl protons' ppm 0.0 . indirect . . . 0.101329118 $entry_citation $entry_citation 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_ _Experiment_label 1H15N_HSQC_NOESY HNCACB CBCACONH HCCH-TOCSY 1H13C_HSQC_NOESY stop_ loop_ _Sample_label $sample_1 $sample_2 $sample_3 stop_ _Sample_conditions_label $conditions_1 _Chem_shift_reference_set_label $chemical_shift_referencing _Mol_system_component_name 'FRB domain' _Text_data_format . _Text_data . loop_ _Atom_shift_assign_ID _Residue_author_seq_code _Residue_seq_code _Residue_label _Atom_name _Atom_type _Chem_shift_value _Chem_shift_value_error _Chem_shift_ambiguity_code 1 1 1 MET CA C 45.5 0.15 1 2 2 2 SER H H 8.12 0.015 1 3 2 2 SER HA H 4.32 0.015 1 4 2 2 SER HB2 H 3.74 0.015 2 5 2 2 SER HB3 H 3.80 0.015 2 6 2 2 SER CA C 58.6 0.15 1 7 2 2 SER CB C 63.9 0.15 1 8 2 2 SER N N 115.7 0.15 1 9 3 3 TYR H H 8.53 0.015 1 10 3 3 TYR HA H 4.16 0.015 1 11 3 3 TYR CA C 56.9 0.15 1 12 3 3 TYR CB C 30.0 0.15 1 13 3 3 TYR N N 122.5 0.15 1 14 4 4 TYR H H 7.94 0.015 1 15 4 4 TYR HA H 4.35 0.015 1 16 4 4 TYR HB2 H 2.71 0.015 1 17 4 4 TYR HB3 H 2.71 0.015 1 18 4 4 TYR CA C 58.0 0.15 1 19 4 4 TYR CB C 39.0 0.15 1 20 4 4 TYR N N 121.6 0.15 1 21 9 9 HIS CA C 60.9 0.15 1 22 10 10 HIS H H 8.11 0.015 1 23 10 10 HIS HA H 3.89 0.015 1 24 10 10 HIS HB2 H 2.90 0.015 1 25 10 10 HIS HB3 H 2.90 0.015 1 26 10 10 HIS CA C 56.1 0.15 1 27 10 10 HIS CB C 30.4 0.15 1 28 10 10 HIS N N 126.5 0.15 1 29 11 11 ASP H H 8.33 0.015 1 30 11 11 ASP HA H 4.42 0.015 1 31 11 11 ASP HB2 H 2.49 0.015 2 32 11 11 ASP HB3 H 2.38 0.015 2 33 11 11 ASP CA C 54.5 0.15 1 34 11 11 ASP CB C 40.9 0.15 1 35 11 11 ASP N N 121.5 0.15 1 36 12 12 TYR H H 7.85 0.015 1 37 12 12 TYR HA H 4.42 0.015 1 38 12 12 TYR HB2 H 2.95 0.015 2 39 12 12 TYR HB3 H 2.79 0.015 2 40 12 12 TYR HD1 H 6.95 0.015 1 41 12 12 TYR HD2 H 6.95 0.015 1 42 12 12 TYR HE1 H 6.64 0.015 1 43 12 12 TYR HE2 H 6.64 0.015 1 44 12 12 TYR CA C 57.5 0.15 1 45 12 12 TYR CB C 38.6 0.15 1 46 12 12 TYR N N 119.1 0.15 1 47 13 13 ASP H H 8.15 0.015 1 48 13 13 ASP HA H 4.51 0.015 1 49 13 13 ASP HB2 H 2.53 0.015 2 50 13 13 ASP HB3 H 2.45 0.015 2 51 13 13 ASP CA C 54.2 0.15 1 52 13 13 ASP CB C 41.1 0.15 1 53 13 13 ASP N N 121.6 0.15 1 54 14 14 ILE H H 7.83 0.015 1 55 14 14 ILE HA H 4.27 0.015 1 56 14 14 ILE HB H 1.72 0.015 1 57 14 14 ILE HG12 H 1.36 0.015 2 58 14 14 ILE HG13 H 1.00 0.015 2 59 14 14 ILE HG2 H 0.80 0.015 1 60 14 14 ILE HD1 H 0.71 0.015 1 61 14 14 ILE CA C 58.8 0.15 1 62 14 14 ILE CB C 38.5 0.15 1 63 14 14 ILE CG1 C 27.0 0.15 1 64 14 14 ILE CG2 C 17.1 0.15 1 65 14 14 ILE CD1 C 12.8 0.15 1 66 14 14 ILE N N 122.1 0.15 1 67 15 15 PRO HA H 4.38 0.015 1 68 15 15 PRO HB2 H 2.17 0.015 2 69 15 15 PRO HB3 H 1.80 0.015 2 70 15 15 PRO HG2 H 1.92 0.015 2 71 15 15 PRO HG3 H 1.85 0.015 2 72 15 15 PRO HD2 H 3.55 0.015 2 73 15 15 PRO HD3 H 3.75 0.015 2 74 15 15 PRO CA C 63.2 0.15 1 75 15 15 PRO CB C 32.1 0.15 1 76 15 15 PRO CG C 27.4 0.15 1 77 15 15 PRO CD C 51.0 0.15 1 78 16 16 THR H H 8.20 0.015 1 79 16 16 THR HA H 4.29 0.015 1 80 16 16 THR HB H 4.18 0.015 1 81 16 16 THR HG2 H 1.11 0.015 1 82 16 16 THR CA C 61.8 0.15 1 83 16 16 THR CB C 69.9 0.15 1 84 16 16 THR CG2 C 21.5 0.15 1 85 16 16 THR N N 114.4 0.15 1 86 17 17 THR H H 7.99 0.015 1 87 17 17 THR HA H 4.19 0.015 1 88 17 17 THR HB H 4.15 0.015 1 89 17 17 THR HG2 H 1.09 0.015 1 90 17 17 THR CA C 62.2 0.15 1 91 17 17 THR CB C 69.7 0.15 1 92 17 17 THR CG2 C 21.6 0.15 1 93 17 17 THR N N 115.1 0.15 1 94 18 18 GLU H H 8.29 0.015 1 95 18 18 GLU HA H 4.13 0.015 1 96 18 18 GLU HB2 H 1.91 0.015 2 97 18 18 GLU HB3 H 1.81 0.015 2 98 18 18 GLU HG2 H 2.13 0.015 1 99 18 18 GLU HG3 H 2.13 0.015 1 100 18 18 GLU CA C 56.9 0.15 1 101 18 18 GLU CB C 30.1 0.15 1 102 18 18 GLU CG C 36.2 0.15 1 103 18 18 GLU N N 122.4 0.15 1 104 19 19 ASN H H 8.24 0.015 1 105 19 19 ASN HA H 4.53 0.015 1 106 19 19 ASN HB2 H 2.61 0.015 2 107 19 19 ASN HB3 H 2.65 0.015 2 108 19 19 ASN CA C 53.3 0.15 1 109 19 19 ASN CB C 38.6 0.15 1 110 19 19 ASN N N 119.2 0.15 1 111 20 20 LEU H H 8.00 0.015 1 112 20 20 LEU HA H 4.09 0.015 1 113 20 20 LEU HB2 H 1.21 0.015 2 114 20 20 LEU HB3 H 1.35 0.015 2 115 20 20 LEU HG H 1.35 0.015 1 116 20 20 LEU HD1 H 0.66 0.015 2 117 20 20 LEU HD2 H 0.73 0.015 2 118 20 20 LEU CA C 55.5 0.15 1 119 20 20 LEU CB C 42.2 0.15 1 120 20 20 LEU CG C 26.7 0.15 1 121 20 20 LEU CD1 C 23.2 0.15 1 122 20 20 LEU CD2 C 24.8 0.15 1 123 20 20 LEU N N 122.2 0.15 1 124 21 21 TYR H H 7.94 0.015 1 125 21 21 TYR HA H 4.39 0.015 1 126 21 21 TYR HB2 H 2.72 0.015 2 127 21 21 TYR HB3 H 2.80 0.015 2 128 21 21 TYR HD1 H 6.88 0.015 1 129 21 21 TYR HD2 H 6.88 0.015 1 130 21 21 TYR HE1 H 6.64 0.015 1 131 21 21 TYR HE2 H 6.64 0.015 1 132 21 21 TYR CA C 58.0 0.15 1 133 21 21 TYR CB C 38.6 0.15 1 134 21 21 TYR N N 119.5 0.15 1 135 22 22 PHE H H 7.94 0.015 1 136 22 22 PHE HA H 4.44 0.015 1 137 22 22 PHE HB2 H 2.90 0.015 1 138 22 22 PHE HB3 H 2.90 0.015 1 139 22 22 PHE CA C 57.8 0.15 1 140 22 22 PHE CB C 39.5 0.15 1 141 22 22 PHE N N 121.2 0.15 1 142 23 23 GLN H H 8.16 0.015 1 143 23 23 GLN HA H 4.12 0.015 1 144 23 23 GLN HB2 H 1.96 0.015 2 145 23 23 GLN HB3 H 1.80 0.015 2 146 23 23 GLN HG2 H 2.17 0.015 1 147 23 23 GLN HG3 H 2.17 0.015 1 148 23 23 GLN CA C 56.1 0.15 1 149 23 23 GLN CB C 29.2 0.15 1 150 23 23 GLN CG C 33.7 0.15 1 151 23 23 GLN N N 121.8 0.15 1 152 24 24 GLY H H 7.81 0.015 1 153 24 24 GLY HA2 H 3.78 0.015 1 154 24 24 GLY HA3 H 3.78 0.015 1 155 24 24 GLY CA C 45.2 0.15 1 156 24 24 GLY N N 109.4 0.15 1 157 25 25 ALA H H 8.08 0.015 1 158 25 25 ALA HA H 4.21 0.015 1 159 25 25 ALA HB H 1.25 0.015 1 160 25 25 ALA CA C 52.6 0.15 1 161 25 25 ALA CB C 19.2 0.15 1 162 25 25 ALA N N 123.5 0.15 1 163 26 26 MET H H 8.33 0.015 1 164 26 26 MET HA H 4.34 0.015 1 165 26 26 MET HB2 H 1.89 0.015 2 166 26 26 MET HB3 H 1.99 0.015 2 167 26 26 MET HG2 H 2.39 0.015 2 168 26 26 MET HG3 H 2.47 0.015 2 169 26 26 MET HE H 1.94 0.015 1 170 26 26 MET CA C 55.7 0.15 1 171 26 26 MET CB C 32.6 0.15 1 172 26 26 MET CG C 31.9 0.15 1 173 26 26 MET CE C 16.7 0.15 1 174 26 26 MET N N 119.2 0.15 1 175 27 27 GLU HA H 4.16 0.015 1 176 27 27 GLU HB2 H 1.92 0.015 2 177 27 27 GLU HB3 H 1.84 0.015 2 178 27 27 GLU HG2 H 2.16 0.015 1 179 27 27 GLU HG3 H 2.16 0.015 1 180 27 27 GLU CA C 56.8 0.15 1 181 27 27 GLU CB C 29.9 0.15 1 182 28 28 LEU H H 8.03 0.015 1 183 28 28 LEU HA H 4.21 0.015 1 184 28 28 LEU HB2 H 1.46 0.015 1 185 28 28 LEU HB3 H 1.46 0.015 1 186 28 28 LEU HG H 1.44 0.015 1 187 28 28 LEU HD1 H 0.72 0.015 2 188 28 28 LEU HD2 H 0.77 0.015 2 189 28 28 LEU CA C 55.2 0.15 1 190 28 28 LEU CB C 42.2 0.15 1 191 28 28 LEU CG C 27.0 0.15 1 192 28 28 LEU CD1 C 23.5 0.15 1 193 28 28 LEU CD2 C 24.7 0.15 1 194 28 28 LEU N N 122.4 0.15 1 195 29 29 ILE H H 7.93 0.015 1 196 29 29 ILE HA H 4.03 0.015 1 197 29 29 ILE HB H 1.72 0.015 1 198 29 29 ILE HG12 H 1.34 0.015 2 199 29 29 ILE HG13 H 1.04 0.015 2 200 29 29 ILE HG2 H 0.75 0.015 1 201 29 29 ILE HD1 H 0.71 0.015 1 202 29 29 ILE CA C 60.8 0.15 1 203 29 29 ILE CB C 38.4 0.15 1 204 29 29 ILE CG1 C 27.2 0.15 1 205 29 29 ILE CG2 C 17.4 0.15 1 206 29 29 ILE CD1 C 12.6 0.15 1 207 29 29 ILE N N 121.9 0.15 1 208 30 30 ARG H H 8.26 0.015 1 209 30 30 ARG HA H 4.29 0.015 1 210 30 30 ARG HB2 H 1.68 0.015 2 211 30 30 ARG HB3 H 1.60 0.015 2 212 30 30 ARG HG2 H 1.40 0.015 2 213 30 30 ARG HG3 H 1.47 0.015 2 214 30 30 ARG HD2 H 3.02 0.015 1 215 30 30 ARG HD3 H 3.02 0.015 1 216 30 30 ARG CA C 55.7 0.15 1 217 30 30 ARG CB C 30.8 0.15 1 218 30 30 ARG CD C 43.2 0.15 1 219 30 30 ARG N N 125.8 0.15 1 220 31 31 VAL H H 8.08 0.015 1 221 31 31 VAL HA H 4.28 0.015 1 222 31 31 VAL HB H 1.95 0.015 1 223 31 31 VAL HG1 H 0.79 0.015 2 224 31 31 VAL HG2 H 0.82 0.015 2 225 31 31 VAL CA C 59.7 0.15 1 226 31 31 VAL CB C 32.5 0.15 1 227 31 31 VAL CG1 C 20.2 0.15 1 228 31 31 VAL CG2 C 20.9 0.15 1 229 31 31 VAL N N 123.4 0.15 1 230 32 32 PRO HA H 4.27 0.015 1 231 32 32 PRO HB2 H 1.67 0.015 2 232 32 32 PRO HB3 H 2.07 0.015 2 233 32 32 PRO HG2 H 1.90 0.015 2 234 32 32 PRO HG3 H 1.81 0.015 2 235 32 32 PRO HD2 H 3.56 0.015 2 236 32 32 PRO HD3 H 3.74 0.015 2 237 32 32 PRO CA C 63.1 0.15 1 238 32 32 PRO CB C 32.1 0.15 1 239 32 32 PRO CG C 27.3 0.15 1 240 32 32 PRO CD C 50.9 0.15 1 241 33 33 ILE H H 8.18 0.015 1 242 33 33 ILE HA H 4.22 0.015 1 243 33 33 ILE HB H 1.77 0.015 1 244 33 33 ILE HG12 H 1.38 0.015 2 245 33 33 ILE HG13 H 1.08 0.015 2 246 33 33 ILE HG2 H 0.81 0.015 1 247 33 33 ILE HD1 H 0.74 0.015 1 248 33 33 ILE CA C 60.9 0.15 1 249 33 33 ILE CB C 39.4 0.15 1 250 33 33 ILE CG1 C 26.9 0.15 1 251 33 33 ILE CG2 C 17.9 0.15 1 252 33 33 ILE CD1 C 13.0 0.15 1 253 33 33 ILE N N 119.6 0.15 1 254 34 34 LEU H H 8.34 0.015 1 255 34 34 LEU HA H 4.51 0.015 1 256 34 34 LEU HB2 H 1.59 0.015 2 257 34 34 LEU HB3 H 1.55 0.015 2 258 34 34 LEU HG H 1.65 0.015 1 259 34 34 LEU HD1 H 0.84 0.015 2 260 34 34 LEU HD2 H 0.92 0.015 2 261 34 34 LEU CA C 54.1 0.15 1 262 34 34 LEU CB C 42.1 0.15 1 263 34 34 LEU CG C 27.1 0.15 1 264 34 34 LEU CD1 C 23.2 0.15 1 265 34 34 LEU CD2 C 25.8 0.15 1 266 34 34 LEU N N 125.9 0.15 1 267 35 35 TRP H H 9.37 0.015 1 268 35 35 TRP HA H 4.26 0.015 1 269 35 35 TRP HB2 H 2.16 0.015 2 270 35 35 TRP HB3 H 2.78 0.015 2 271 35 35 TRP HD1 H 6.96 0.015 1 272 35 35 TRP HE1 H 9.72 0.015 1 273 35 35 TRP HE3 H 7.52 0.015 1 274 35 35 TRP HZ2 H 7.28 0.015 1 275 35 35 TRP HZ3 H 7.07 0.015 1 276 35 35 TRP HH2 H 6.75 0.015 1 277 35 35 TRP CA C 60.1 0.15 1 278 35 35 TRP CB C 28.3 0.15 1 279 35 35 TRP N N 125.0 0.15 1 280 35 35 TRP NE1 N 129.9 0.15 1 281 36 36 HIS H H 8.49 0.015 1 282 36 36 HIS HA H 4.25 0.015 1 283 36 36 HIS HB2 H 3.30 0.015 2 284 36 36 HIS HB3 H 3.24 0.015 2 285 36 36 HIS HD2 H 6.85 0.015 1 286 36 36 HIS HE1 H 6.33 0.015 1 287 36 36 HIS CA C 60.8 0.15 1 288 36 36 HIS CB C 29.9 0.15 1 289 36 36 HIS N N 114.7 0.15 1 290 37 37 GLU H H 6.53 0.015 1 291 37 37 GLU HA H 4.01 0.015 1 292 37 37 GLU HB2 H 1.92 0.015 2 293 37 37 GLU HB3 H 1.75 0.015 2 294 37 37 GLU HG2 H 2.51 0.015 2 295 37 37 GLU HG3 H 2.19 0.015 2 296 37 37 GLU CA C 58.9 0.15 1 297 37 37 GLU CB C 29.7 0.15 1 298 37 37 GLU CG C 36.9 0.15 1 299 37 37 GLU N N 119.9 0.15 1 300 38 38 MET H H 8.20 0.015 1 301 38 38 MET HA H 3.91 0.015 1 302 38 38 MET HE H 2.14 0.015 1 303 38 38 MET CA C 58.9 0.15 1 304 38 38 MET CE C 16.9 0.15 1 305 38 38 MET N N 118.7 0.15 1 306 39 39 TRP H H 8.34 0.015 1 307 39 39 TRP HA H 4.12 0.015 1 308 39 39 TRP HB2 H 3.07 0.015 2 309 39 39 TRP HB3 H 2.92 0.015 2 310 39 39 TRP HD1 H 6.47 0.015 1 311 39 39 TRP HE1 H 8.70 0.015 1 312 39 39 TRP HZ2 H 6.84 0.015 1 313 39 39 TRP HH2 H 7.34 0.015 1 314 39 39 TRP CA C 61.4 0.15 1 315 39 39 TRP CB C 28.9 0.15 1 316 39 39 TRP N N 118.5 0.15 1 317 39 39 TRP NE1 N 126.2 0.15 1 318 40 40 HIS H H 8.29 0.015 1 319 40 40 HIS HA H 4.11 0.015 1 320 40 40 HIS HB2 H 3.32 0.015 1 321 40 40 HIS HB3 H 3.32 0.015 1 322 40 40 HIS HD2 H 6.49 0.015 1 323 40 40 HIS HE1 H 5.32 0.015 1 324 40 40 HIS CA C 61.9 0.15 1 325 40 40 HIS CB C 30.3 0.15 1 326 40 40 HIS N N 120.5 0.15 1 327 41 41 GLU H H 8.03 0.015 1 328 41 41 GLU HA H 4.10 0.015 1 329 41 41 GLU HB2 H 2.00 0.015 1 330 41 41 GLU HB3 H 2.00 0.015 1 331 41 41 GLU HG2 H 2.26 0.015 2 332 41 41 GLU HG3 H 2.38 0.015 2 333 41 41 GLU CA C 59.2 0.15 1 334 41 41 GLU CB C 29.7 0.15 1 335 41 41 GLU CG C 36.3 0.15 1 336 41 41 GLU N N 116.4 0.15 1 337 42 42 GLY H H 8.22 0.015 1 338 42 42 GLY HA2 H 3.69 0.015 2 339 42 42 GLY HA3 H 3.28 0.015 2 340 42 42 GLY CA C 46.8 0.15 1 341 42 42 GLY N N 107.0 0.15 1 342 43 43 LEU H H 8.74 0.015 1 343 43 43 LEU HA H 3.96 0.015 1 344 43 43 LEU HB2 H 2.06 0.015 2 345 43 43 LEU HB3 H 0.87 0.015 2 346 43 43 LEU HG H 2.10 0.015 1 347 43 43 LEU HD1 H 0.49 0.015 2 348 43 43 LEU HD2 H 0.98 0.015 2 349 43 43 LEU CA C 58.1 0.15 1 350 43 43 LEU CB C 41.8 0.15 1 351 43 43 LEU CG C 27.8 0.15 1 352 43 43 LEU CD1 C 23.0 0.15 1 353 43 43 LEU CD2 C 25.6 0.15 1 354 43 43 LEU N N 120.8 0.15 1 355 44 44 GLU H H 7.83 0.015 1 356 44 44 GLU HA H 3.70 0.015 1 357 44 44 GLU HG2 H 2.30 0.015 2 358 44 44 GLU HG3 H 2.16 0.015 2 359 44 44 GLU CA C 60.5 0.15 1 360 44 44 GLU CB C 29.4 0.15 1 361 44 44 GLU CG C 36.8 0.15 1 362 44 44 GLU N N 121.3 0.15 1 363 45 45 GLU H H 7.70 0.015 1 364 45 45 GLU HA H 4.31 0.015 1 365 45 45 GLU HB2 H 2.07 0.015 1 366 45 45 GLU HB3 H 2.07 0.015 1 367 45 45 GLU HG2 H 2.21 0.015 1 368 45 45 GLU HG3 H 2.21 0.015 1 369 45 45 GLU CA C 58.7 0.15 1 370 45 45 GLU CB C 29.1 0.15 1 371 45 45 GLU N N 120.8 0.15 1 372 46 46 ALA H H 9.21 0.015 1 373 46 46 ALA HA H 3.88 0.015 1 374 46 46 ALA HB H 1.47 0.015 1 375 46 46 ALA CA C 55.6 0.15 1 376 46 46 ALA CB C 18.2 0.15 1 377 46 46 ALA N N 120.9 0.15 1 378 47 47 SER H H 8.26 0.015 1 379 47 47 SER HA H 3.78 0.015 1 380 47 47 SER HB2 H 3.82 0.015 2 381 47 47 SER HB3 H 3.90 0.015 2 382 47 47 SER CA C 61.3 0.15 1 383 47 47 SER CB C 62.4 0.15 1 384 47 47 SER N N 112.8 0.15 1 385 48 48 ARG H H 7.51 0.015 1 386 48 48 ARG HA H 3.93 0.015 1 387 48 48 ARG HB2 H 1.96 0.015 2 388 48 48 ARG HB3 H 1.89 0.015 2 389 48 48 ARG CA C 59.9 0.15 1 390 48 48 ARG CB C 30.0 0.15 1 391 48 48 ARG N N 124.0 0.15 1 392 49 49 LEU H H 8.25 0.015 1 393 49 49 LEU HA H 3.82 0.015 1 394 49 49 LEU HG H 1.65 0.015 1 395 49 49 LEU HD1 H 0.59 0.015 2 396 49 49 LEU HD2 H 0.74 0.015 2 397 49 49 LEU CA C 58.0 0.15 1 398 49 49 LEU CB C 42.1 0.15 1 399 49 49 LEU CG C 26.7 0.15 1 400 49 49 LEU CD1 C 26.7 0.15 1 401 49 49 LEU CD2 C 23.3 0.15 1 402 49 49 LEU N N 118.7 0.15 1 403 50 50 TYR H H 8.28 0.015 1 404 50 50 TYR HA H 3.79 0.015 1 405 50 50 TYR HB2 H 2.00 0.015 2 406 50 50 TYR HB3 H 2.81 0.015 2 407 50 50 TYR HD1 H 5.34 0.015 1 408 50 50 TYR HD2 H 5.34 0.015 1 409 50 50 TYR HE1 H 6.05 0.015 1 410 50 50 TYR HE2 H 6.05 0.015 1 411 50 50 TYR CA C 61.5 0.15 1 412 50 50 TYR CB C 39.4 0.15 1 413 50 50 TYR N N 117.5 0.15 1 414 51 51 PHE H H 8.45 0.015 1 415 51 51 PHE HA H 3.68 0.015 1 416 51 51 PHE HB2 H 2.67 0.015 2 417 51 51 PHE HB3 H 2.83 0.015 2 418 51 51 PHE HD1 H 7.03 0.015 1 419 51 51 PHE HD2 H 7.03 0.015 1 420 51 51 PHE HE1 H 6.47 0.015 1 421 51 51 PHE HE2 H 6.47 0.015 1 422 51 51 PHE HZ H 6.71 0.015 1 423 51 51 PHE CA C 60.9 0.15 1 424 51 51 PHE CB C 37.8 0.15 1 425 51 51 PHE N N 116.8 0.15 1 426 52 52 GLY H H 7.59 0.015 1 427 52 52 GLY HA2 H 3.96 0.015 1 428 52 52 GLY HA3 H 3.96 0.015 1 429 52 52 GLY CA C 46.7 0.15 1 430 52 52 GLY N N 107.5 0.15 1 431 53 53 GLU H H 7.16 0.015 1 432 53 53 GLU HA H 4.29 0.015 1 433 53 53 GLU HB2 H 1.59 0.015 2 434 53 53 GLU HB3 H 1.67 0.015 2 435 53 53 GLU HG2 H 2.11 0.015 2 436 53 53 GLU HG3 H 2.13 0.015 2 437 53 53 GLU CA C 55.8 0.15 1 438 53 53 GLU CB C 30.2 0.15 1 439 53 53 GLU CG C 36.2 0.15 1 440 53 53 GLU N N 117.0 0.15 1 441 54 54 ARG H H 7.12 0.015 1 442 54 54 ARG HA H 3.80 0.015 1 443 54 54 ARG HB2 H 1.29 0.015 2 444 54 54 ARG HB3 H 1.79 0.015 2 445 54 54 ARG HD2 H 2.89 0.015 1 446 54 54 ARG HD3 H 2.89 0.015 1 447 54 54 ARG CA C 56.4 0.15 1 448 54 54 ARG CB C 26.6 0.15 1 449 54 54 ARG CD C 42.8 0.15 1 450 54 54 ARG N N 117.3 0.15 1 451 55 55 ASN H H 8.40 0.015 1 452 55 55 ASN HA H 4.77 0.015 1 453 55 55 ASN HB2 H 2.92 0.015 2 454 55 55 ASN HB3 H 2.44 0.015 2 455 55 55 ASN CA C 50.9 0.15 1 456 55 55 ASN CB C 37.8 0.15 1 457 55 55 ASN N N 118.5 0.15 1 458 56 56 VAL H H 8.01 0.015 1 459 56 56 VAL HA H 3.43 0.015 1 460 56 56 VAL HB H 1.95 0.015 1 461 56 56 VAL HG1 H 0.77 0.015 2 462 56 56 VAL HG2 H 0.88 0.015 2 463 56 56 VAL CA C 66.0 0.15 1 464 56 56 VAL CB C 31.8 0.15 1 465 56 56 VAL CG1 C 21.8 0.15 1 466 56 56 VAL CG2 C 22.8 0.15 1 467 56 56 VAL N N 124.0 0.15 1 468 57 57 LYS H H 8.30 0.015 1 469 57 57 LYS HA H 3.95 0.015 1 470 57 57 LYS HB2 H 1.81 0.015 1 471 57 57 LYS HB3 H 1.81 0.015 1 472 57 57 LYS HG2 H 1.47 0.015 2 473 57 57 LYS HG3 H 1.33 0.015 2 474 57 57 LYS HD2 H 1.65 0.015 1 475 57 57 LYS HD3 H 1.65 0.015 1 476 57 57 LYS HE2 H 2.94 0.015 1 477 57 57 LYS HE3 H 2.94 0.015 1 478 57 57 LYS CA C 59.9 0.15 1 479 57 57 LYS CB C 32.1 0.15 1 480 57 57 LYS CG C 24.8 0.15 1 481 57 57 LYS CD C 29.3 0.15 1 482 57 57 LYS N N 120.8 0.15 1 483 58 58 GLY H H 7.99 0.015 1 484 58 58 GLY HA2 H 3.33 0.015 2 485 58 58 GLY HA3 H 3.81 0.015 2 486 58 58 GLY CA C 47.5 0.15 1 487 58 58 GLY N N 106.0 0.15 1 488 59 59 MET H H 7.63 0.015 1 489 59 59 MET HA H 3.72 0.015 1 490 59 59 MET HB2 H 2.09 0.015 2 491 59 59 MET HB3 H 2.67 0.015 2 492 59 59 MET HG2 H 2.49 0.015 1 493 59 59 MET HG3 H 2.49 0.015 1 494 59 59 MET HE H 1.39 0.015 1 495 59 59 MET CA C 60.2 0.15 1 496 59 59 MET CB C 32.6 0.15 1 497 59 59 MET CE C 17.5 0.15 1 498 59 59 MET N N 122.3 0.15 1 499 60 60 PHE H H 8.31 0.015 1 500 60 60 PHE HA H 4.31 0.015 1 501 60 60 PHE HB2 H 3.24 0.015 1 502 60 60 PHE HB3 H 3.24 0.015 1 503 60 60 PHE HD1 H 7.32 0.015 1 504 60 60 PHE HD2 H 7.32 0.015 1 505 60 60 PHE HE1 H 7.22 0.015 1 506 60 60 PHE HE2 H 7.22 0.015 1 507 60 60 PHE HZ H 7.12 0.015 1 508 60 60 PHE CA C 60.7 0.15 1 509 60 60 PHE CB C 37.9 0.15 1 510 60 60 PHE N N 118.6 0.15 1 511 61 61 GLU H H 8.10 0.015 1 512 61 61 GLU HA H 4.01 0.015 1 513 61 61 GLU HB2 H 2.16 0.015 1 514 61 61 GLU HB3 H 2.16 0.015 1 515 61 61 GLU HG2 H 2.02 0.015 2 516 61 61 GLU HG3 H 1.72 0.015 2 517 61 61 GLU CA C 59.2 0.15 1 518 61 61 GLU CB C 29.4 0.15 1 519 61 61 GLU CG C 36.6 0.15 1 520 61 61 GLU N N 118.3 0.15 1 521 62 62 VAL H H 7.40 0.015 1 522 62 62 VAL HA H 3.73 0.015 1 523 62 62 VAL HB H 1.96 0.015 1 524 62 62 VAL HG1 H 0.81 0.015 2 525 62 62 VAL HG2 H 0.86 0.015 2 526 62 62 VAL CA C 64.9 0.15 1 527 62 62 VAL CB C 32.1 0.15 1 528 62 62 VAL CG1 C 21.8 0.15 1 529 62 62 VAL CG2 C 23.1 0.15 1 530 62 62 VAL N N 117.2 0.15 1 531 63 63 LEU H H 7.39 0.015 1 532 63 63 LEU HA H 3.85 0.015 1 533 63 63 LEU HB2 H 1.45 0.015 2 534 63 63 LEU HB3 H 1.80 0.015 2 535 63 63 LEU HG H 1.61 0.015 1 536 63 63 LEU HD1 H 0.34 0.015 2 537 63 63 LEU HD2 H 0.27 0.015 2 538 63 63 LEU CA C 56.9 0.15 1 539 63 63 LEU CB C 42.2 0.15 1 540 63 63 LEU CG C 26.2 0.15 1 541 63 63 LEU CD1 C 25.2 0.15 1 542 63 63 LEU CD2 C 21.8 0.15 1 543 63 63 LEU N N 116.6 0.15 1 544 64 64 GLU H H 8.52 0.015 1 545 64 64 GLU HA H 4.14 0.015 1 546 64 64 GLU HB2 H 2.13 0.015 2 547 64 64 GLU HB3 H 1.99 0.015 2 548 64 64 GLU HG2 H 2.37 0.015 2 549 64 64 GLU HG3 H 2.17 0.015 2 550 64 64 GLU CA C 62.3 0.15 1 551 64 64 GLU CB C 27.0 0.15 1 552 64 64 GLU CG C 36.9 0.15 1 553 64 64 GLU N N 120.1 0.15 1 554 65 65 PRO HA H 4.27 0.015 1 555 65 65 PRO HB2 H 2.14 0.015 2 556 65 65 PRO HB3 H 1.53 0.015 2 557 65 65 PRO HG2 H 1.83 0.015 1 558 65 65 PRO HG3 H 1.83 0.015 1 559 65 65 PRO HD2 H 3.55 0.015 2 560 65 65 PRO HD3 H 3.47 0.015 2 561 65 65 PRO CA C 65.4 0.15 1 562 65 65 PRO CB C 31.1 0.15 1 563 65 65 PRO CG C 28.0 0.15 1 564 65 65 PRO CD C 50.9 0.15 1 565 66 66 LEU H H 6.64 0.015 1 566 66 66 LEU HA H 3.52 0.015 1 567 66 66 LEU HB2 H 0.79 0.015 2 568 66 66 LEU HB3 H -0.92 0.015 2 569 66 66 LEU HG H 1.13 0.015 1 570 66 66 LEU HD1 H -0.02 0.015 2 571 66 66 LEU HD2 H -0.10 0.015 2 572 66 66 LEU CA C 56.8 0.15 1 573 66 66 LEU CB C 38.7 0.15 1 574 66 66 LEU CG C 25.5 0.15 1 575 66 66 LEU CD1 C 25.9 0.15 1 576 66 66 LEU CD2 C 22.3 0.15 1 577 66 66 LEU N N 119.4 0.15 1 578 67 67 HIS H H 7.66 0.015 1 579 67 67 HIS HA H 4.32 0.015 1 580 67 67 HIS HB2 H 3.08 0.015 1 581 67 67 HIS HB3 H 3.08 0.015 1 582 67 67 HIS HD2 H 6.45 0.015 1 583 67 67 HIS HE1 H 5.32 0.015 1 584 67 67 HIS CA C 60.6 0.15 1 585 67 67 HIS CB C 28.7 0.15 1 586 67 67 HIS N N 117.4 0.15 1 587 68 68 ALA H H 8.34 0.015 1 588 68 68 ALA HA H 4.07 0.015 1 589 68 68 ALA HB H 1.35 0.015 1 590 68 68 ALA CA C 55.4 0.15 1 591 68 68 ALA CB C 17.8 0.15 1 592 68 68 ALA N N 122.7 0.15 1 593 69 69 MET H H 7.54 0.015 1 594 69 69 MET HA H 3.99 0.015 1 595 69 69 MET HB2 H 1.97 0.015 1 596 69 69 MET HB3 H 1.97 0.015 1 597 69 69 MET HG2 H 2.28 0.015 2 598 69 69 MET HG3 H 2.09 0.015 2 599 69 69 MET HE H 1.23 0.015 1 600 69 69 MET CA C 58.3 0.15 1 601 69 69 MET CB C 31.8 0.15 1 602 69 69 MET CG C 31.1 0.15 1 603 69 69 MET CE C 17.1 0.15 1 604 69 69 MET N N 118.0 0.15 1 605 70 70 MET H H 7.05 0.015 1 606 70 70 MET HA H 4.07 0.015 1 607 70 70 MET HG2 H 2.57 0.015 2 608 70 70 MET HG3 H 1.99 0.015 2 609 70 70 MET HE H 1.70 0.015 1 610 70 70 MET CA C 56.3 0.15 1 611 70 70 MET CG C 31.0 0.15 1 612 70 70 MET CE C 17.4 0.15 1 613 70 70 MET N N 115.5 0.15 1 614 71 71 GLU H H 7.70 0.015 1 615 71 71 GLU HA H 3.98 0.015 1 616 71 71 GLU HB2 H 2.07 0.015 1 617 71 71 GLU HB3 H 2.07 0.015 1 618 71 71 GLU HG2 H 2.43 0.015 2 619 71 71 GLU HG3 H 2.23 0.015 2 620 71 71 GLU CA C 59.1 0.15 1 621 71 71 GLU CB C 29.4 0.15 1 622 71 71 GLU CG C 36.7 0.15 1 623 71 71 GLU N N 120.2 0.15 1 624 72 72 ARG H H 7.56 0.015 1 625 72 72 ARG HA H 4.19 0.015 1 626 72 72 ARG HB2 H 1.95 0.015 1 627 72 72 ARG HB3 H 1.95 0.015 1 628 72 72 ARG HG2 H 1.71 0.015 2 629 72 72 ARG HG3 H 1.95 0.015 2 630 72 72 ARG HD2 H 3.19 0.015 1 631 72 72 ARG HD3 H 3.19 0.015 1 632 72 72 ARG CA C 57.9 0.15 1 633 72 72 ARG CB C 29.8 0.15 1 634 72 72 ARG CG C 26.9 0.15 1 635 72 72 ARG CD C 43.7 0.15 1 636 72 72 ARG N N 116.8 0.15 1 637 73 73 GLY H H 7.56 0.015 1 638 73 73 GLY HA2 H 4.42 0.015 2 639 73 73 GLY HA3 H 4.16 0.015 2 640 73 73 GLY CA C 43.8 0.15 1 641 73 73 GLY N N 106.6 0.15 1 642 74 74 PRO HA H 4.39 0.015 1 643 74 74 PRO HB2 H 2.06 0.015 2 644 74 74 PRO HB3 H 1.95 0.015 2 645 74 74 PRO CA C 62.8 0.15 1 646 75 75 GLN H H 9.68 0.015 1 647 75 75 GLN HA H 4.42 0.015 1 648 75 75 GLN HB2 H 2.17 0.015 2 649 75 75 GLN HB3 H 1.87 0.015 2 650 75 75 GLN HG2 H 2.35 0.015 2 651 75 75 GLN HG3 H 2.32 0.015 2 652 75 75 GLN CA C 55.6 0.15 1 653 75 75 GLN CB C 30.9 0.15 1 654 75 75 GLN CG C 33.8 0.15 1 655 75 75 GLN N N 119.4 0.15 1 656 76 76 THR H H 7.13 0.015 1 657 76 76 THR HA H 4.61 0.015 1 658 76 76 THR HB H 4.53 0.015 1 659 76 76 THR HG2 H 1.01 0.015 1 660 76 76 THR CA C 59.0 0.15 1 661 76 76 THR CB C 72.3 0.15 1 662 76 76 THR CG2 C 21.3 0.15 1 663 76 76 THR N N 108.5 0.15 1 664 77 77 LEU H H 7.82 0.015 1 665 77 77 LEU HA H 4.04 0.015 1 666 77 77 LEU HB2 H 1.56 0.015 2 667 77 77 LEU HB3 H 1.70 0.015 2 668 77 77 LEU HG H 1.63 0.015 1 669 77 77 LEU HD1 H 0.81 0.015 2 670 77 77 LEU HD2 H 0.86 0.015 2 671 77 77 LEU CA C 58.6 0.15 1 672 77 77 LEU CB C 41.5 0.15 1 673 77 77 LEU CG C 27.1 0.15 1 674 77 77 LEU CD1 C 23.5 0.15 1 675 77 77 LEU CD2 C 24.5 0.15 1 676 77 77 LEU N N 121.4 0.15 1 677 78 78 LYS H H 7.13 0.015 1 678 78 78 LYS HA H 4.14 0.015 1 679 78 78 LYS HB2 H 1.79 0.015 1 680 78 78 LYS HB3 H 1.79 0.015 1 681 78 78 LYS CA C 59.7 0.15 1 682 78 78 LYS CB C 32.2 0.15 1 683 79 79 GLU H H 7.79 0.015 1 684 79 79 GLU HA H 3.58 0.015 1 685 79 79 GLU CA C 59.4 0.15 1 686 79 79 GLU N N 121.4 0.15 1 687 80 80 THR H H 8.38 0.015 1 688 80 80 THR HA H 3.70 0.015 1 689 80 80 THR HB H 4.34 0.015 1 690 80 80 THR HG2 H 1.18 0.015 1 691 80 80 THR CA C 67.5 0.15 1 692 80 80 THR CB C 68.2 0.15 1 693 80 80 THR CG2 C 21.2 0.15 1 694 80 80 THR N N 118.7 0.15 1 695 81 81 SER H H 8.37 0.015 1 696 81 81 SER HA H 3.95 0.015 1 697 81 81 SER CA C 61.8 0.15 1 698 81 81 SER CB C 62.3 0.15 1 699 81 81 SER N N 118.1 0.15 1 700 82 82 PHE H H 8.12 0.015 1 701 82 82 PHE HA H 4.17 0.015 1 702 82 82 PHE HB2 H 3.71 0.015 2 703 82 82 PHE HB3 H 3.51 0.015 2 704 82 82 PHE HD1 H 7.34 0.015 1 705 82 82 PHE HD2 H 7.34 0.015 1 706 82 82 PHE CA C 62.1 0.15 1 707 82 82 PHE CB C 39.5 0.15 1 708 82 82 PHE N N 123.9 0.15 1 709 83 83 ASN H H 9.07 0.015 1 710 83 83 ASN HA H 4.36 0.015 1 711 83 83 ASN HB2 H 3.17 0.015 2 712 83 83 ASN HB3 H 3.05 0.015 2 713 83 83 ASN CA C 57.2 0.15 1 714 83 83 ASN CB C 39.8 0.15 1 715 83 83 ASN N N 118.6 0.15 1 716 84 84 GLN H H 8.62 0.015 1 717 84 84 GLN HA H 3.90 0.015 1 718 84 84 GLN HB2 H 2.13 0.015 2 719 84 84 GLN HB3 H 1.98 0.015 2 720 84 84 GLN HG2 H 2.34 0.015 2 721 84 84 GLN HG3 H 2.50 0.015 2 722 84 84 GLN CA C 58.9 0.15 1 723 84 84 GLN CB C 28.3 0.15 1 724 84 84 GLN CG C 34.0 0.15 1 725 84 84 GLN N N 118.9 0.15 1 726 85 85 ALA H H 7.31 0.015 1 727 85 85 ALA HA H 3.84 0.015 1 728 85 85 ALA HB H 0.38 0.015 1 729 85 85 ALA CA C 54.4 0.15 1 730 85 85 ALA CB C 17.5 0.15 1 731 85 85 ALA N N 119.9 0.15 1 732 86 86 TYR H H 7.74 0.015 1 733 86 86 TYR HA H 4.70 0.015 1 734 86 86 TYR HB2 H 1.50 0.015 2 735 86 86 TYR HB3 H 2.73 0.015 2 736 86 86 TYR HD1 H 5.99 0.015 1 737 86 86 TYR HD2 H 5.99 0.015 1 738 86 86 TYR HE1 H 6.36 0.015 1 739 86 86 TYR HE2 H 6.36 0.015 1 740 86 86 TYR CA C 57.1 0.15 1 741 86 86 TYR CB C 40.5 0.15 1 742 86 86 TYR N N 112.8 0.15 1 743 87 87 GLY H H 8.24 0.015 1 744 87 87 GLY HA2 H 3.57 0.015 2 745 87 87 GLY HA3 H 4.08 0.015 2 746 87 87 GLY CA C 47.9 0.15 1 747 87 87 GLY N N 107.7 0.15 1 748 88 88 ARG H H 8.39 0.015 1 749 88 88 ARG HA H 3.99 0.015 1 750 88 88 ARG HB2 H 1.79 0.015 2 751 88 88 ARG HB3 H 1.69 0.015 2 752 88 88 ARG HD2 H 3.04 0.015 2 753 88 88 ARG HD3 H 3.14 0.015 2 754 88 88 ARG CA C 59.7 0.15 1 755 88 88 ARG CB C 29.0 0.15 1 756 88 88 ARG N N 122.7 0.15 1 757 89 89 ASP H H 7.97 0.015 1 758 89 89 ASP HA H 4.29 0.015 1 759 89 89 ASP HB2 H 2.47 0.015 2 760 89 89 ASP HB3 H 2.28 0.015 2 761 89 89 ASP CA C 57.6 0.15 1 762 89 89 ASP CB C 40.7 0.15 1 763 89 89 ASP N N 120.5 0.15 1 764 90 90 LEU H H 7.93 0.015 1 765 90 90 LEU HA H 3.86 0.015 1 766 90 90 LEU HB2 H 1.03 0.015 2 767 90 90 LEU HB3 H 1.77 0.015 2 768 90 90 LEU HG H 1.46 0.015 1 769 90 90 LEU HD1 H -0.21 0.015 2 770 90 90 LEU HD2 H 0.10 0.015 2 771 90 90 LEU CA C 57.7 0.15 1 772 90 90 LEU CB C 41.3 0.15 1 773 90 90 LEU CG C 26.1 0.15 1 774 90 90 LEU CD1 C 24.4 0.15 1 775 90 90 LEU CD2 C 21.1 0.15 1 776 90 90 LEU N N 117.5 0.15 1 777 91 91 MET H H 8.20 0.015 1 778 91 91 MET HA H 4.12 0.015 1 779 91 91 MET HB2 H 2.12 0.015 2 780 91 91 MET HB3 H 2.20 0.015 2 781 91 91 MET HG2 H 2.53 0.015 2 782 91 91 MET HG3 H 2.68 0.015 2 783 91 91 MET HE H 2.01 0.015 1 784 91 91 MET CA C 58.9 0.15 1 785 91 91 MET CB C 32.1 0.15 1 786 91 91 MET CG C 32.2 0.15 1 787 91 91 MET CE C 16.6 0.15 1 788 91 91 MET N N 119.9 0.15 1 789 92 92 GLU H H 8.22 0.015 1 790 92 92 GLU HA H 3.87 0.015 1 791 92 92 GLU HB2 H 2.10 0.015 2 792 92 92 GLU HB3 H 2.06 0.015 2 793 92 92 GLU HG2 H 2.27 0.015 2 794 92 92 GLU HG3 H 2.37 0.015 2 795 92 92 GLU CA C 59.3 0.15 1 796 92 92 GLU CB C 28.9 0.15 1 797 92 92 GLU CG C 36.8 0.15 1 798 92 92 GLU N N 121.4 0.15 1 799 93 93 ALA H H 8.28 0.015 1 800 93 93 ALA HA H 3.77 0.015 1 801 93 93 ALA HB H 0.57 0.015 1 802 93 93 ALA CA C 56.4 0.15 1 803 93 93 ALA CB C 16.6 0.15 1 804 93 93 ALA N N 123.9 0.15 1 805 94 94 GLN H H 7.79 0.015 1 806 94 94 GLN HA H 3.60 0.015 1 807 94 94 GLN HG2 H 1.79 0.015 2 808 94 94 GLN HG3 H 1.76 0.015 2 809 94 94 GLN CA C 59.5 0.15 1 810 94 94 GLN CB C 27.5 0.15 1 811 94 94 GLN CG C 34.1 0.15 1 812 94 94 GLN N N 117.3 0.15 1 813 95 95 GLU H H 7.75 0.015 1 814 95 95 GLU HA H 3.85 0.015 1 815 95 95 GLU HB2 H 1.79 0.015 2 816 95 95 GLU HB3 H 1.96 0.015 2 817 95 95 GLU HG2 H 1.99 0.015 1 818 95 95 GLU HG3 H 1.99 0.015 1 819 95 95 GLU CA C 59.4 0.15 1 820 95 95 GLU CB C 28.5 0.15 1 821 95 95 GLU CG C 35.7 0.15 1 822 95 95 GLU N N 120.5 0.15 1 823 96 96 TRP H H 8.17 0.015 1 824 96 96 TRP HA H 4.30 0.015 1 825 96 96 TRP HB2 H 3.06 0.015 2 826 96 96 TRP HB3 H 3.03 0.015 2 827 96 96 TRP HD1 H 6.96 0.015 1 828 96 96 TRP HE1 H 10.60 0.015 1 829 96 96 TRP HE3 H 7.64 0.015 1 830 96 96 TRP HZ2 H 7.37 0.015 1 831 96 96 TRP HZ3 H 7.24 0.015 1 832 96 96 TRP HH2 H 7.14 0.015 1 833 96 96 TRP CA C 61.5 0.15 1 834 96 96 TRP CB C 28.8 0.15 1 835 96 96 TRP N N 121.2 0.15 1 836 96 96 TRP NE1 N 128.9 0.15 1 837 97 97 CYS H H 8.03 0.015 1 838 97 97 CYS HA H 4.02 0.015 1 839 97 97 CYS HB2 H 3.29 0.015 2 840 97 97 CYS HB3 H 2.56 0.015 2 841 97 97 CYS CA C 64.6 0.15 1 842 97 97 CYS CB C 26.1 0.15 1 843 97 97 CYS N N 118.6 0.15 1 844 98 98 ARG H H 8.34 0.015 1 845 98 98 ARG HA H 3.91 0.015 1 846 98 98 ARG HB2 H 1.68 0.015 2 847 98 98 ARG HB3 H 1.79 0.015 2 848 98 98 ARG HD2 H 3.04 0.015 2 849 98 98 ARG HD3 H 3.14 0.015 2 850 98 98 ARG CA C 59.8 0.15 1 851 98 98 ARG CB C 29.3 0.15 1 852 98 98 ARG CD C 43.1 0.15 1 853 98 98 ARG N N 120.2 0.15 1 854 99 99 LYS H H 8.24 0.015 1 855 99 99 LYS HA H 3.87 0.015 1 856 99 99 LYS HB2 H 1.99 0.015 1 857 99 99 LYS HB3 H 1.99 0.015 1 858 99 99 LYS HG2 H 1.38 0.015 2 859 99 99 LYS HG3 H 1.25 0.015 2 860 99 99 LYS HD2 H 1.36 0.015 2 861 99 99 LYS HD3 H 1.00 0.015 2 862 99 99 LYS HE2 H 2.43 0.015 2 863 99 99 LYS HE3 H 2.51 0.015 2 864 99 99 LYS CA C 60.6 0.15 1 865 99 99 LYS CB C 31.9 0.15 1 866 99 99 LYS CG C 26.0 0.15 1 867 99 99 LYS CD C 29.9 0.15 1 868 99 99 LYS CE C 42.0 0.15 1 869 99 99 LYS N N 121.8 0.15 1 870 100 100 TYR H H 8.38 0.015 1 871 100 100 TYR HA H 4.55 0.015 1 872 100 100 TYR HB2 H 3.43 0.015 2 873 100 100 TYR HB3 H 3.09 0.015 2 874 100 100 TYR HD1 H 7.12 0.015 1 875 100 100 TYR HD2 H 7.12 0.015 1 876 100 100 TYR HE1 H 6.57 0.015 1 877 100 100 TYR HE2 H 6.57 0.015 1 878 100 100 TYR CA C 60.9 0.15 1 879 100 100 TYR CB C 37.7 0.15 1 880 100 100 TYR N N 121.5 0.15 1 881 101 101 MET H H 8.03 0.015 1 882 101 101 MET HA H 3.79 0.015 1 883 101 101 MET HB2 H 2.10 0.015 2 884 101 101 MET HB3 H 1.97 0.015 2 885 101 101 MET HG2 H 2.58 0.015 2 886 101 101 MET HG3 H 2.67 0.015 2 887 101 101 MET HE H 1.65 0.015 1 888 101 101 MET CA C 58.1 0.15 1 889 101 101 MET CB C 31.6 0.15 1 890 101 101 MET CG C 32.6 0.15 1 891 101 101 MET CE C 16.4 0.15 1 892 101 101 MET N N 118.4 0.15 1 893 102 102 LYS H H 7.16 0.015 1 894 102 102 LYS HA H 4.22 0.015 1 895 102 102 LYS HB2 H 1.79 0.015 1 896 102 102 LYS HB3 H 1.79 0.015 1 897 102 102 LYS HG2 H 1.31 0.015 2 898 102 102 LYS HG3 H 1.41 0.015 2 899 102 102 LYS HD2 H 1.55 0.015 1 900 102 102 LYS HD3 H 1.55 0.015 1 901 102 102 LYS HE2 H 2.85 0.015 1 902 102 102 LYS HE3 H 2.85 0.015 1 903 102 102 LYS CA C 57.4 0.15 1 904 102 102 LYS CB C 33.4 0.15 1 905 102 102 LYS CG C 24.9 0.15 1 906 102 102 LYS CD C 28.8 0.15 1 907 102 102 LYS CE C 42.0 0.15 1 908 102 102 LYS N N 115.8 0.15 1 909 103 103 SER H H 8.92 0.015 1 910 103 103 SER HA H 4.25 0.015 1 911 103 103 SER HB2 H 3.93 0.015 1 912 103 103 SER HB3 H 3.93 0.015 1 913 103 103 SER CA C 59.5 0.15 1 914 103 103 SER CB C 64.2 0.15 1 915 103 103 SER N N 116.1 0.15 1 916 104 104 GLY H H 8.85 0.015 1 917 104 104 GLY HA2 H 3.11 0.015 2 918 104 104 GLY HA3 H 3.83 0.015 2 919 104 104 GLY CA C 46.3 0.15 1 920 104 104 GLY N N 113.7 0.15 1 921 105 105 ASN H H 8.88 0.015 1 922 105 105 ASN HA H 4.84 0.015 1 923 105 105 ASN HB2 H 3.23 0.015 2 924 105 105 ASN HB3 H 2.64 0.015 2 925 105 105 ASN CA C 52.2 0.15 1 926 105 105 ASN CB C 38.3 0.15 1 927 105 105 ASN N N 119.6 0.15 1 928 106 106 VAL H H 9.16 0.015 1 929 106 106 VAL HA H 3.87 0.015 1 930 106 106 VAL HB H 2.28 0.015 1 931 106 106 VAL HG1 H 1.05 0.015 2 932 106 106 VAL HG2 H 1.08 0.015 2 933 106 106 VAL CA C 65.8 0.15 1 934 106 106 VAL CB C 31.6 0.15 1 935 106 106 VAL CG1 C 20.7 0.15 1 936 106 106 VAL CG2 C 21.5 0.15 1 937 106 106 VAL N N 127.5 0.15 1 938 107 107 LYS H H 8.30 0.015 1 939 107 107 LYS HA H 4.05 0.015 1 940 107 107 LYS HB2 H 1.72 0.015 1 941 107 107 LYS HB3 H 1.72 0.015 1 942 107 107 LYS HG2 H 1.47 0.015 2 943 107 107 LYS HG3 H 1.37 0.015 2 944 107 107 LYS HD2 H 1.63 0.015 1 945 107 107 LYS HD3 H 1.63 0.015 1 946 107 107 LYS HE2 H 2.91 0.015 1 947 107 107 LYS HE3 H 2.91 0.015 1 948 107 107 LYS CA C 59.4 0.15 1 949 107 107 LYS CB C 31.8 0.15 1 950 107 107 LYS CG C 25.3 0.15 1 951 107 107 LYS CD C 29.1 0.15 1 952 107 107 LYS CE C 42.0 0.15 1 953 108 108 ASP H H 7.98 0.015 1 954 108 108 ASP HA H 4.55 0.015 1 955 108 108 ASP HB2 H 3.21 0.015 2 956 108 108 ASP HB3 H 3.03 0.015 2 957 108 108 ASP CA C 58.1 0.15 1 958 108 108 ASP CB C 40.7 0.15 1 959 108 108 ASP N N 120.1 0.15 1 960 109 109 LEU H H 6.79 0.015 1 961 109 109 LEU HA H 4.00 0.015 1 962 109 109 LEU HB2 H 1.30 0.015 2 963 109 109 LEU HB3 H 1.09 0.015 2 964 109 109 LEU HG H 1.15 0.015 1 965 109 109 LEU HD1 H 0.31 0.015 2 966 109 109 LEU HD2 H 0.26 0.015 2 967 109 109 LEU CA C 56.8 0.15 1 968 109 109 LEU CB C 41.2 0.15 1 969 109 109 LEU CG C 26.8 0.15 1 970 109 109 LEU CD1 C 23.6 0.15 1 971 109 109 LEU CD2 C 24.3 0.15 1 972 109 109 LEU N N 118.8 0.15 1 973 110 110 THR H H 8.52 0.015 1 974 110 110 THR HA H 3.93 0.015 1 975 110 110 THR HB H 4.22 0.015 1 976 110 110 THR HG2 H 1.20 0.015 1 977 110 110 THR CA C 66.8 0.15 1 978 110 110 THR CB C 68.3 0.15 1 979 110 110 THR CG2 C 22.1 0.15 1 980 110 110 THR N N 116.6 0.15 1 981 111 111 GLN H H 7.30 0.015 1 982 111 111 GLN HA H 3.65 0.015 1 983 111 111 GLN HB2 H 1.01 0.015 2 984 111 111 GLN HB3 H 0.37 0.015 2 985 111 111 GLN HG2 H 1.26 0.015 2 986 111 111 GLN HG3 H 0.96 0.015 2 987 111 111 GLN CA C 58.6 0.15 1 988 111 111 GLN CB C 26.8 0.15 1 989 111 111 GLN CG C 32.6 0.15 1 990 111 111 GLN N N 119.8 0.15 1 991 112 112 ALA H H 7.25 0.015 1 992 112 112 ALA HA H 3.72 0.015 1 993 112 112 ALA HB H 1.48 0.015 1 994 112 112 ALA CA C 55.9 0.15 1 995 112 112 ALA CB C 19.3 0.15 1 996 112 112 ALA N N 120.7 0.15 1 997 113 113 TRP H H 8.45 0.015 1 998 113 113 TRP HA H 4.39 0.015 1 999 113 113 TRP HB2 H 3.42 0.015 2 1000 113 113 TRP HB3 H 3.11 0.015 2 1001 113 113 TRP HD1 H 6.53 0.015 1 1002 113 113 TRP HE1 H 7.98 0.015 1 1003 113 113 TRP HZ2 H 6.79 0.015 1 1004 113 113 TRP HZ3 H 6.38 0.015 1 1005 113 113 TRP HH2 H 7.14 0.015 1 1006 113 113 TRP CA C 61.7 0.15 1 1007 113 113 TRP CB C 29.2 0.15 1 1008 113 113 TRP N N 116.0 0.15 1 1009 113 113 TRP NE1 N 124.3 0.15 1 1010 114 114 ASP H H 8.30 0.015 1 1011 114 114 ASP HA H 4.54 0.015 1 1012 114 114 ASP HB2 H 2.63 0.015 2 1013 114 114 ASP HB3 H 2.52 0.015 2 1014 114 114 ASP CA C 57.9 0.15 1 1015 114 114 ASP CB C 40.0 0.15 1 1016 114 114 ASP N N 121.1 0.15 1 1017 115 115 LEU H H 6.93 0.015 1 1018 115 115 LEU HA H 4.10 0.015 1 1019 115 115 LEU HB2 H 1.14 0.015 2 1020 115 115 LEU HB3 H 1.84 0.015 2 1021 115 115 LEU HG H 1.56 0.015 1 1022 115 115 LEU HD1 H 0.82 0.015 2 1023 115 115 LEU HD2 H 0.92 0.015 2 1024 115 115 LEU CA C 58.0 0.15 1 1025 115 115 LEU CB C 42.9 0.15 1 1026 115 115 LEU CG C 27.3 0.15 1 1027 115 115 LEU CD1 C 23.2 0.15 1 1028 115 115 LEU CD2 C 26.1 0.15 1 1029 115 115 LEU N N 121.0 0.15 1 1030 116 116 TYR H H 8.77 0.015 1 1031 116 116 TYR HA H 3.96 0.015 1 1032 116 116 TYR HB2 H 2.48 0.015 2 1033 116 116 TYR HB3 H 2.37 0.015 2 1034 116 116 TYR HD1 H 7.14 0.015 1 1035 116 116 TYR HD2 H 7.14 0.015 1 1036 116 116 TYR HE1 H 7.02 0.015 1 1037 116 116 TYR HE2 H 7.02 0.015 1 1038 116 116 TYR CA C 61.2 0.15 1 1039 116 116 TYR CB C 38.7 0.15 1 1040 116 116 TYR N N 119.3 0.15 1 1041 117 117 TYR H H 9.54 0.015 1 1042 117 117 TYR HA H 4.54 0.015 1 1043 117 117 TYR HB2 H 3.02 0.015 2 1044 117 117 TYR HB3 H 3.17 0.015 2 1045 117 117 TYR HD1 H 7.17 0.015 1 1046 117 117 TYR HD2 H 7.17 0.015 1 1047 117 117 TYR HE1 H 6.56 0.015 1 1048 117 117 TYR HE2 H 6.56 0.015 1 1049 117 117 TYR CA C 61.1 0.15 1 1050 117 117 TYR CB C 37.2 0.15 1 1051 117 117 TYR N N 117.8 0.15 1 1052 118 118 HIS H H 7.62 0.015 1 1053 118 118 HIS HA H 4.43 0.015 1 1054 118 118 HIS HB2 H 3.45 0.015 2 1055 118 118 HIS HB3 H 3.27 0.015 2 1056 118 118 HIS CA C 59.6 0.15 1 1057 118 118 HIS CB C 30.2 0.15 1 1058 118 118 HIS N N 120.1 0.15 1 1059 119 119 VAL H H 7.82 0.015 1 1060 119 119 VAL HA H 3.23 0.015 1 1061 119 119 VAL HB H 2.12 0.015 1 1062 119 119 VAL HG1 H 0.96 0.015 2 1063 119 119 VAL HG2 H 0.27 0.015 2 1064 119 119 VAL CA C 67.3 0.15 1 1065 119 119 VAL CB C 31.5 0.15 1 1066 119 119 VAL CG1 C 22.6 0.15 1 1067 119 119 VAL CG2 C 19.9 0.15 1 1068 119 119 VAL N N 119.4 0.15 1 1069 120 120 PHE H H 8.99 0.015 1 1070 120 120 PHE HA H 3.93 0.015 1 1071 120 120 PHE HB2 H 3.31 0.015 1 1072 120 120 PHE HB3 H 3.31 0.015 1 1073 120 120 PHE HD1 H 7.03 0.015 1 1074 120 120 PHE HD2 H 7.03 0.015 1 1075 120 120 PHE HE1 H 6.48 0.015 1 1076 120 120 PHE HE2 H 6.48 0.015 1 1077 120 120 PHE HZ H 7.25 0.015 1 1078 120 120 PHE CA C 61.1 0.15 1 1079 120 120 PHE CB C 40.1 0.15 1 1080 120 120 PHE N N 119.5 0.15 1 1081 121 121 ARG H H 8.67 0.015 1 1082 121 121 ARG HA H 3.70 0.015 1 1083 121 121 ARG HB2 H 1.71 0.015 2 1084 121 121 ARG HB3 H 1.82 0.015 2 1085 121 121 ARG HG2 H 1.50 0.015 1 1086 121 121 ARG HG3 H 1.50 0.015 1 1087 121 121 ARG HD2 H 3.08 0.015 1 1088 121 121 ARG HD3 H 3.08 0.015 1 1089 121 121 ARG CA C 59.2 0.15 1 1090 121 121 ARG CB C 30.2 0.15 1 1091 121 121 ARG CG C 27.9 0.15 1 1092 121 121 ARG CD C 43.4 0.15 1 1093 121 121 ARG N N 117.3 0.15 1 1094 122 122 ARG H H 7.30 0.015 1 1095 122 122 ARG HA H 4.04 0.015 1 1096 122 122 ARG HB2 H 2.10 0.015 2 1097 122 122 ARG HB3 H 1.83 0.015 2 1098 122 122 ARG HG2 H 1.64 0.015 1 1099 122 122 ARG HG3 H 1.64 0.015 1 1100 122 122 ARG HD2 H 1.55 0.015 2 1101 122 122 ARG HD3 H 1.69 0.015 2 1102 122 122 ARG CA C 58.7 0.15 1 1103 122 122 ARG CB C 30.8 0.15 1 1104 122 122 ARG CG C 27.2 0.15 1 1105 122 122 ARG CD C 41.4 0.15 1 1106 122 122 ARG N N 118.0 0.15 1 1107 123 123 ILE H H 7.94 0.015 1 1108 123 123 ILE HA H 4.06 0.015 1 1109 123 123 ILE HB H 1.85 0.015 1 1110 123 123 ILE HG12 H 1.12 0.015 2 1111 123 123 ILE HG13 H 1.27 0.015 2 1112 123 123 ILE HG2 H 0.62 0.015 1 1113 123 123 ILE HD1 H 0.80 0.015 1 1114 123 123 ILE CA C 63.6 0.15 1 1115 123 123 ILE CB C 38.3 0.15 1 1116 123 123 ILE CG2 C 17.2 0.15 1 1117 123 123 ILE CD1 C 14.4 0.15 1 1118 123 123 ILE N N 115.6 0.15 1 1119 124 124 SER H H 7.49 0.015 1 1120 124 124 SER HA H 4.07 0.015 1 1121 124 124 SER HB2 H 3.61 0.015 2 1122 124 124 SER HB3 H 3.42 0.015 2 1123 124 124 SER CA C 59.3 0.15 1 1124 124 124 SER CB C 63.8 0.15 1 1125 124 124 SER N N 115.3 0.15 1 1126 125 125 LYS H H 7.58 0.015 1 1127 125 125 LYS HA H 4.16 0.015 1 1128 125 125 LYS HB2 H 1.78 0.015 2 1129 125 125 LYS HB3 H 1.67 0.015 2 1130 125 125 LYS HG2 H 1.32 0.015 1 1131 125 125 LYS HG3 H 1.32 0.015 1 1132 125 125 LYS HD2 H 1.56 0.015 1 1133 125 125 LYS HD3 H 1.56 0.015 1 1134 125 125 LYS HE2 H 2.87 0.015 1 1135 125 125 LYS HE3 H 2.87 0.015 1 1136 125 125 LYS CA C 56.5 0.15 1 1137 125 125 LYS CB C 32.4 0.15 1 1138 125 125 LYS CG C 24.6 0.15 1 1139 125 125 LYS CD C 28.9 0.15 1 1140 125 125 LYS CE C 42.1 0.15 1 1141 125 125 LYS N N 121.8 0.15 1 1142 126 126 GLN H H 7.79 0.015 1 1143 126 126 GLN HA H 4.03 0.015 1 1144 126 126 GLN HB2 H 2.00 0.015 2 1145 126 126 GLN HB3 H 1.81 0.015 2 1146 126 126 GLN HG2 H 2.20 0.015 1 1147 126 126 GLN HG3 H 2.20 0.015 1 1148 126 126 GLN CA C 57.5 0.15 1 1149 126 126 GLN CB C 30.3 0.15 1 1150 126 126 GLN CG C 34.3 0.15 1 1151 126 126 GLN N N 126.5 0.15 1 stop_ save_