data_34058 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Solution structure of Rtt103 CTD-interacting domain bound to a Ser2Ser7 phosphorylated CTD peptide ; _BMRB_accession_number 34058 _BMRB_flat_file_name bmr34058.str _Entry_type original _Submission_date 2016-11-01 _Accession_date 2016-11-01 _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 Jasnovidova O. . . 2 Kubicek K. . . 3 Stefl R. . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 847 "13C chemical shifts" 487 "15N chemical shifts" 147 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2018-02-27 update BMRB 'update entry citation' 2017-10-09 original author 'original release' stop_ _Original_release_date 2017-10-05 save_ ############################# # Citation for this entry # ############################# save_citation_1 _Saveframe_category entry_citation _Citation_full . _Citation_title ; Structure and dynamics of the RNAPII CTDsome with Rtt103 ; _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 29073019 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Jasnovidova O. . . 2 Klumpler T. . . 3 Kubicek K. . . 4 Kalynych S. . . 5 Plevka P. . . 6 Stefl R. . . stop_ _Journal_abbreviation 'Proc. Natl. Acad. Sci. U. S. A.' _Journal_volume 114 _Journal_issue 42 _Journal_ASTM PNASA6 _Journal_ISSN 1091-6490 _Journal_CSD 0040 _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 11133 _Page_last 11138 _Year 2017 _Details . save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name 'Regulator of Ty1 transposition protein 103, THR-SER-PRO-SEP-TYR-SEP-PRO-THR-SER-PRO-SEP-TYR-SEP-PRO-THR-SER' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label entity_1 $entity_1 entity_2 $entity_2 stop_ _System_molecular_weight . _System_oligomer_state ? _System_paramagnetic no _System_thiol_state . _Database_query_date . _Details . save_ ######################## # Monomeric polymers # ######################## save_entity_1 _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common entity_1 _Molecular_mass 16569.100 _Mol_thiol_state 'not present' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 142 _Mol_residue_sequence ; MAFSSEQFTTKLNTLEDSQE SISSASKWLLLQYRDAPKVA EMWKEYMLRPSVNTRRKLLG LYLMNHVVQQAKGQKIIQFQ DSFGKVAAEVLGRINQEFPR DLKKKLSRVVNILKERNIFS KQVVNDIERSLAAALEHHHH HH ; loop_ _Residue_seq_code _Residue_label 1 MET 2 ALA 3 PHE 4 SER 5 SER 6 GLU 7 GLN 8 PHE 9 THR 10 THR 11 LYS 12 LEU 13 ASN 14 THR 15 LEU 16 GLU 17 ASP 18 SER 19 GLN 20 GLU 21 SER 22 ILE 23 SER 24 SER 25 ALA 26 SER 27 LYS 28 TRP 29 LEU 30 LEU 31 LEU 32 GLN 33 TYR 34 ARG 35 ASP 36 ALA 37 PRO 38 LYS 39 VAL 40 ALA 41 GLU 42 MET 43 TRP 44 LYS 45 GLU 46 TYR 47 MET 48 LEU 49 ARG 50 PRO 51 SER 52 VAL 53 ASN 54 THR 55 ARG 56 ARG 57 LYS 58 LEU 59 LEU 60 GLY 61 LEU 62 TYR 63 LEU 64 MET 65 ASN 66 HIS 67 VAL 68 VAL 69 GLN 70 GLN 71 ALA 72 LYS 73 GLY 74 GLN 75 LYS 76 ILE 77 ILE 78 GLN 79 PHE 80 GLN 81 ASP 82 SER 83 PHE 84 GLY 85 LYS 86 VAL 87 ALA 88 ALA 89 GLU 90 VAL 91 LEU 92 GLY 93 ARG 94 ILE 95 ASN 96 GLN 97 GLU 98 PHE 99 PRO 100 ARG 101 ASP 102 LEU 103 LYS 104 LYS 105 LYS 106 LEU 107 SER 108 ARG 109 VAL 110 VAL 111 ASN 112 ILE 113 LEU 114 LYS 115 GLU 116 ARG 117 ASN 118 ILE 119 PHE 120 SER 121 LYS 122 GLN 123 VAL 124 VAL 125 ASN 126 ASP 127 ILE 128 GLU 129 ARG 130 SER 131 LEU 132 ALA 133 ALA 134 ALA 135 LEU 136 GLU 137 HIS 138 HIS 139 HIS 140 HIS 141 HIS 142 HIS stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date . save_ save_entity_2 _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common entity_2 _Molecular_mass 1965.594 _Mol_thiol_state 'not present' _Details P _Residue_count 16 _Mol_residue_sequence ; TSPXYXPTSPXYXPTS ; loop_ _Residue_seq_code _Residue_label 1 THR 2 SER 3 PRO 4 SEP 5 TYR 6 SEP 7 PRO 8 THR 9 SER 10 PRO 11 SEP 12 TYR 13 SEP 14 PRO 15 THR 16 SER stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date . save_ ###################### # Polymer residues # ###################### save_chem_comp_SEP _Saveframe_category polymer_residue _Mol_type 'L-PEPTIDE LINKING' _Name_common PHOSPHOSERINE _BMRB_code SEP _PDB_code SEP _Standard_residue_derivative . _Molecular_mass 185.072 _Mol_paramagnetic . _Details . loop_ _Atom_name _PDB_atom_name _Atom_type _Atom_chirality _Atom_charge _Atom_oxidation_number _Atom_unpaired_electrons N N N . 0 . ? CA CA C . 0 . ? CB CB C . 0 . ? OG OG O . 0 . ? C C C . 0 . ? O O O . 0 . ? OXT OXT O . 0 . ? P P P . 0 . ? O1P O1P O . 0 . ? O2P O2P O . 0 . ? O3P O3P O . 0 . ? H H H . 0 . ? H2 H2 H . 0 . ? HA HA H . 0 . ? HB2 HB2 H . 0 . ? HB3 HB3 H . 0 . ? HXT HXT H . 0 . ? HOP2 HOP2 H . 0 . ? HOP3 HOP3 H . 0 . ? stop_ loop_ _Bond_order _Bond_atom_one_atom_name _Bond_atom_two_atom_name _PDB_bond_atom_one_atom_name _PDB_bond_atom_two_atom_name SING N CA ? ? SING N H ? ? SING N H2 ? ? SING CA CB ? ? SING CA C ? ? SING CA HA ? ? SING CB OG ? ? SING CB HB2 ? ? SING CB HB3 ? ? SING OG P ? ? DOUB C O ? ? SING C OXT ? ? SING OXT HXT ? ? DOUB P O1P ? ? SING P O2P ? ? SING P O3P ? ? SING O2P HOP2 ? ? SING O3P HOP3 ? ? 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 $entity_1 "baker's yeast" 559292 Eukaryota Fungi Saccharomyces cerevisiae 'RTT103, YDR289C' $entity_2 "baker's yeast" 4932 Eukaryota Fungi Saccharomyces cerevisiae . 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 $entity_1 'recombinant technology' . . . . . $entity_2 'chemical synthesis' . . . . . stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Saveframe_category sample _Sample_type solution _Details ; 1 mM [U-13C; U-15N] CTD-interacting domain of Rtt103p, 1.5 mM THR-SER-PRO-SEP-TYR-SEP-PRO-THR-SER-PRO-SEP-TYR-SEP-PRO-THR-SER, 90% H2O/10% D2O ; loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $entity_1 1 mM '[U-13C; U-15N]' $entity_2 1.5 mM 'natural abundance' KH2PO4 35 mM 'natural abundance' KCl 100 mM 'natural abundance' stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Saveframe_category software _Name AMBER _Version 16 loop_ _Vendor _Address _Electronic_address 'Case, Darden, Cheatham III, Simmerling, Wang, Duke, Luo, ... and Kollman' . . stop_ loop_ _Task refinement stop_ _Details . save_ save_software_2 _Saveframe_category software _Name CYANA _Version 3.97 loop_ _Vendor _Address _Electronic_address 'Guntert, Mumenthaler and Wuthrich' . . stop_ loop_ _Task 'structure calculation' stop_ _Details . save_ save_software_3 _Saveframe_category software _Name SPARKY _Version . loop_ _Vendor _Address _Electronic_address Goddard . . stop_ loop_ _Task 'chemical shift assignment' 'peak picking' stop_ _Details . save_ save_software_4 _Saveframe_category software _Name TOPSPIN _Version 3.2 loop_ _Vendor _Address _Electronic_address 'Bruker Biospin' . . stop_ loop_ _Task collection stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model AvanceIII _Field_strength 700 _Details . save_ save_NMR_spectrometer_2 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model AvanceIII _Field_strength 850 _Details . save_ save_NMR_spectrometer_3 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model AvanceIII _Field_strength 950 _Details . save_ ############################# # NMR applied experiments # ############################# save_3D_1H-15N_NOESY_1 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-15N NOESY' _Sample_label $sample_1 save_ save_3D_1H-13C_NOESY_aliphatic_2 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-13C NOESY aliphatic' _Sample_label $sample_1 save_ save_3D_1H-13C_NOESY_aromatic_3 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-13C NOESY aromatic' _Sample_label $sample_1 save_ save_3D_CBCA(CO)NH_4 _Saveframe_category NMR_applied_experiment _Experiment_name '3D CBCA(CO)NH' _Sample_label $sample_1 save_ save_3D_HCCH-TOCSY_5 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HCCH-TOCSY' _Sample_label $sample_1 save_ save_F1-13C/15N-filtered_NOESY-[13C,1H]-HSQC_6 _Saveframe_category NMR_applied_experiment _Experiment_name 'F1-13C/15N-filtered NOESY-[13C,1H]-HSQC' _Sample_label $sample_1 save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units 'ionic strength' 100 . mM pH 6.8 . pH pressure 760 . mmHg temperature 298 . K stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chem_shift_reference_1 _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 DMSO C 13 'methyl carbons' ppm 0 na direct . . . 1 water H 1 protons ppm 4.7 na direct . . . 1 urea N 15 nitrogen ppm 75 na direct . . . 1 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_assigned_chemical_shifts_1 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Experiment_label '3D 1H-15N NOESY' '3D 1H-13C NOESY aliphatic' '3D 1H-13C NOESY aromatic' '3D CBCA(CO)NH' '3D HCCH-TOCSY' 'F1-13C/15N-filtered NOESY-[13C,1H]-HSQC' stop_ loop_ _Sample_label $sample_1 stop_ _Sample_conditions_label $sample_conditions_1 _Chem_shift_reference_set_label $chem_shift_reference_1 _Mol_system_component_name entity_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 2 2 ALA HA H 4.016 0.001 1 2 2 2 ALA HB H 1.388 0.002 1 3 2 2 ALA CA C 48.977 0.022 1 4 2 2 ALA CB C 16.842 0.044 1 5 3 3 PHE H H 7.778 0 1 6 3 3 PHE HA H 4.515 0.004 1 7 3 3 PHE HB2 H 2.712 0 2 8 3 3 PHE HB3 H 3.025 0 2 9 3 3 PHE HD1 H 7 0.004 3 10 3 3 PHE HD2 H 7 0.004 3 11 3 3 PHE HE1 H 7.003 0 3 12 3 3 PHE HE2 H 7.003 0 3 13 3 3 PHE CA C 55.361 0 1 14 3 3 PHE CB C 37.475 0.215 1 15 3 3 PHE CD1 C 129.116 0 3 16 3 3 PHE CD2 C 129.15 0 3 17 3 3 PHE CE1 C 129.116 0 3 18 3 3 PHE CE2 C 129.116 0 3 19 3 3 PHE N N 120.286 0 1 20 5 5 SER CA C 58.85 0.007 1 21 5 5 SER CB C 59.771 0 1 22 6 6 GLU H H 8.655 0.006 1 23 6 6 GLU HA H 3.966 0.001 1 24 6 6 GLU HB2 H 1.827 0.002 2 25 6 6 GLU HB3 H 1.916 0.002 2 26 6 6 GLU HG2 H 2.175 0.004 2 27 6 6 GLU HG3 H 2.175 0.004 2 28 6 6 GLU CA C 57.114 0.065 1 29 6 6 GLU CB C 26.217 0 1 30 6 6 GLU CG C 33.478 0.052 1 31 6 6 GLU N N 122.462 0.028 1 32 7 7 GLN H H 7.829 0.007 1 33 7 7 GLN HA H 3.897 0.005 1 34 7 7 GLN HB2 H 2.098 0.106 2 35 7 7 GLN HB3 H 2.134 0.003 2 36 7 7 GLN HG2 H 2.193 0.002 2 37 7 7 GLN HG3 H 2.353 0.003 2 38 7 7 GLN HE21 H 6.85 0 2 39 7 7 GLN HE22 H 7.401 0.006 2 40 7 7 GLN CA C 55.994 0.014 1 41 7 7 GLN CB C 26.309 0.103 1 42 7 7 GLN CG C 31.743 0.17 1 43 7 7 GLN N N 119.084 0.031 1 44 7 7 GLN NE2 N 111.608 0.033 1 45 8 8 PHE H H 8.032 0.005 1 46 8 8 PHE HA H 4.444 0.002 1 47 8 8 PHE HB2 H 3.393 0.007 2 48 8 8 PHE HB3 H 3.423 0.009 2 49 8 8 PHE HD1 H 7.466 0.009 3 50 8 8 PHE HD2 H 7.466 0.009 3 51 8 8 PHE HE1 H 7.354 0.006 3 52 8 8 PHE HE2 H 7.354 0.006 3 53 8 8 PHE HZ H 7.117 0.003 1 54 8 8 PHE CA C 56.863 0.051 1 55 8 8 PHE CB C 36.369 0.039 1 56 8 8 PHE CD1 C 128.773 0.063 3 57 8 8 PHE CD2 C 128.836 0 3 58 8 8 PHE CE1 C 128.442 0.072 3 59 8 8 PHE CE2 C 128.514 0 3 60 8 8 PHE CZ C 125.853 0.024 1 61 8 8 PHE N N 119.682 0.041 1 62 9 9 THR H H 8.585 0.005 1 63 9 9 THR HA H 3.384 0.005 1 64 9 9 THR HB H 4.175 0.003 1 65 9 9 THR HG2 H 1.168 0.005 1 66 9 9 THR CA C 64.718 0.097 1 67 9 9 THR CB C 65.684 0.036 1 68 9 9 THR CG2 C 19.387 0.121 1 69 9 9 THR N N 116.001 0.032 1 70 10 10 THR H H 7.964 0.006 1 71 10 10 THR HA H 3.761 0.004 1 72 10 10 THR HB H 3.991 0.005 1 73 10 10 THR HG2 H 0.996 0.005 1 74 10 10 THR CA C 64.172 0.048 1 75 10 10 THR CB C 65.644 0.055 1 76 10 10 THR CG2 C 18.602 0.221 1 77 10 10 THR N N 117.309 0.014 1 78 11 11 LYS H H 7.621 0.004 1 79 11 11 LYS HA H 3.583 0.003 1 80 11 11 LYS HB2 H 1.366 0.002 2 81 11 11 LYS HB3 H 1.64 0.01 2 82 11 11 LYS HG2 H 0.701 0.001 2 83 11 11 LYS HG3 H 0.883 0 2 84 11 11 LYS HD2 H 0.765 0.01 2 85 11 11 LYS HD3 H 0.986 0.002 2 86 11 11 LYS HE2 H 1.469 0.013 2 87 11 11 LYS HE3 H 1.666 0 2 88 11 11 LYS CA C 55.746 0.05 1 89 11 11 LYS CB C 28.132 0.055 1 90 11 11 LYS CD C 25.026 0.051 1 91 11 11 LYS CE C 37.885 0.043 1 92 11 11 LYS N N 121.639 0.018 1 93 12 12 LEU H H 7.904 0.006 1 94 12 12 LEU HA H 3.462 0.016 1 95 12 12 LEU HB2 H 0.563 0.001 2 96 12 12 LEU HB3 H 1.026 0.009 2 97 12 12 LEU HG H 0.772 0.002 1 98 12 12 LEU HD1 H 0.231 0.003 2 99 12 12 LEU HD2 H -0.373 0.003 2 100 12 12 LEU CA C 55.319 0.079 1 101 12 12 LEU CB C 37.499 0.034 1 102 12 12 LEU CG C 24.688 0.045 1 103 12 12 LEU CD1 C 20.195 0.011 2 104 12 12 LEU CD2 C 20.648 0.013 2 105 12 12 LEU N N 119.98 0.04 1 106 13 13 ASN H H 8.012 0.005 1 107 13 13 ASN HA H 4.464 0.007 1 108 13 13 ASN HB2 H 2.821 0.005 2 109 13 13 ASN HB3 H 2.821 0.005 2 110 13 13 ASN HD21 H 6.981 0.011 2 111 13 13 ASN HD22 H 7.591 0.003 2 112 13 13 ASN CA C 51.627 0.056 1 113 13 13 ASN CB C 35.742 0.01 1 114 13 13 ASN N N 114.455 0.018 1 115 13 13 ASN ND2 N 112.959 0.007 1 116 14 14 THR H H 7.303 0.007 1 117 14 14 THR HA H 4.398 0.002 1 118 14 14 THR HB H 4.307 0.004 1 119 14 14 THR HG2 H 1.081 0.004 1 120 14 14 THR CA C 58.083 0.05 1 121 14 14 THR CB C 67.445 0.071 1 122 14 14 THR CG2 C 18.042 0 1 123 14 14 THR N N 106.164 0.033 1 124 15 15 LEU H H 6.763 0.007 1 125 15 15 LEU HA H 3.909 0.001 1 126 15 15 LEU HB2 H 1.168 0.016 2 127 15 15 LEU HB3 H 1.603 0.004 2 128 15 15 LEU HG H 2.167 0.006 1 129 15 15 LEU HD1 H 0.6 0.006 2 130 15 15 LEU HD2 H 0.72 0.004 2 131 15 15 LEU CA C 53.21 0.033 1 132 15 15 LEU CB C 40.298 0.065 1 133 15 15 LEU CG C 23 0.014 1 134 15 15 LEU CD1 C 20.41 0.018 2 135 15 15 LEU CD2 C 23.634 0.036 2 136 15 15 LEU N N 122.41 0.024 1 137 16 16 GLU H H 8.636 0.006 1 138 16 16 GLU HA H 4.398 0.005 1 139 16 16 GLU HB2 H 1.599 0.001 2 140 16 16 GLU HB3 H 1.95 0.007 2 141 16 16 GLU HG2 H 2.083 0.002 2 142 16 16 GLU HG3 H 2.161 0.008 2 143 16 16 GLU CA C 51.252 0.068 1 144 16 16 GLU CB C 30.663 0.08 1 145 16 16 GLU CG C 33.392 0.017 1 146 16 16 GLU N N 120.497 0.064 1 147 17 17 ASP H H 8.491 0.001 1 148 17 17 ASP HA H 4.506 0.001 1 149 17 17 ASP HB2 H 2.335 0.003 2 150 17 17 ASP HB3 H 3.015 0.014 2 151 17 17 ASP CA C 49.292 0.038 1 152 17 17 ASP CB C 35.897 0.054 1 153 17 17 ASP N N 118.375 0.026 1 154 18 18 SER H H 8.284 0.002 1 155 18 18 SER HA H 4.842 0.005 1 156 18 18 SER HB2 H 3.721 0.016 2 157 18 18 SER HB3 H 4.009 0.007 2 158 18 18 SER CA C 53.233 0.051 1 159 18 18 SER CB C 63.409 0.079 1 160 18 18 SER N N 116.386 0.049 1 161 19 19 GLN H H 9.044 0.009 1 162 19 19 GLN HA H 3.961 0.002 1 163 19 19 GLN HB2 H 1.935 0.008 2 164 19 19 GLN HB3 H 2.127 0.007 2 165 19 19 GLN HG2 H 2.288 0.005 2 166 19 19 GLN HG3 H 2.311 0.003 2 167 19 19 GLN HE21 H 7.127 0.003 2 168 19 19 GLN HE22 H 7.455 0 2 169 19 19 GLN CA C 56.451 0.032 1 170 19 19 GLN CB C 25.142 0.092 1 171 19 19 GLN CG C 30.755 0.061 1 172 19 19 GLN N N 122.59 0.037 1 173 19 19 GLN NE2 N 109.719 0.004 1 174 20 20 GLU H H 8.916 0.003 1 175 20 20 GLU HA H 3.835 0.002 1 176 20 20 GLU HB2 H 1.751 0 2 177 20 20 GLU HB3 H 1.913 0.001 2 178 20 20 GLU HG2 H 2.135 0.001 2 179 20 20 GLU HG3 H 2.158 0 2 180 20 20 GLU CA C 56.965 0.075 1 181 20 20 GLU CB C 26.494 0.04 1 182 20 20 GLU CG C 33.246 0.004 1 183 20 20 GLU N N 119.62 0.031 1 184 21 21 SER H H 7.789 0.006 1 185 21 21 SER HA H 3.976 0.008 1 186 21 21 SER HB2 H 3.769 0.038 2 187 21 21 SER HB3 H 3.983 0.001 2 188 21 21 SER CA C 58.23 0.051 1 189 21 21 SER CB C 61.442 0.34 1 190 21 21 SER N N 113.875 0.007 1 191 22 22 ILE H H 7.56 0.007 1 192 22 22 ILE HA H 3.526 0.008 1 193 22 22 ILE HB H 1.539 0.003 1 194 22 22 ILE HG12 H 0.742 0.002 2 195 22 22 ILE HG13 H 1.855 0.004 2 196 22 22 ILE HG2 H 0.094 0.004 1 197 22 22 ILE HD1 H 0.641 0.002 1 198 22 22 ILE CA C 59.74 0.054 1 199 22 22 ILE CB C 32.741 0.009 1 200 22 22 ILE CG1 C 23.995 0.013 1 201 22 22 ILE CG2 C 15.202 0.029 1 202 22 22 ILE CD1 C 7.518 0.035 1 203 22 22 ILE N N 116.483 0.036 1 204 23 23 SER H H 8.151 0.011 1 205 23 23 SER HA H 3.499 0.004 1 206 23 23 SER HB2 H 3.69 0.001 2 207 23 23 SER HB3 H 3.801 0 2 208 23 23 SER CA C 59.298 0.061 1 209 23 23 SER CB C 60.106 0.088 1 210 23 23 SER N N 113.864 0.039 1 211 24 24 SER H H 7.879 0.005 1 212 24 24 SER HA H 4.143 0 1 213 24 24 SER HB2 H 3.843 0.006 2 214 24 24 SER HB3 H 3.951 0.004 2 215 24 24 SER CA C 59.031 0.141 1 216 24 24 SER CB C 59.906 0.094 1 217 24 24 SER N N 117.698 0.015 1 218 25 25 ALA H H 7.517 0.01 1 219 25 25 ALA HA H 4.179 0.006 1 220 25 25 ALA HB H 1.351 0.004 1 221 25 25 ALA CA C 52.555 0.02 1 222 25 25 ALA CB C 16.06 0.127 1 223 25 25 ALA N N 124.671 0.005 1 224 26 26 SER H H 8.146 0.006 1 225 26 26 SER HB2 H 3.812 0.006 2 226 26 26 SER HB3 H 3.884 0.001 2 227 26 26 SER CA C 58.973 0.003 1 228 26 26 SER CB C 60.499 0.145 1 229 26 26 SER N N 113.933 0.028 1 230 27 27 LYS H H 7.881 0.017 1 231 27 27 LYS HA H 3.859 0.009 1 232 27 27 LYS HB2 H 1.907 0.006 2 233 27 27 LYS HB3 H 1.966 0.002 2 234 27 27 LYS HG2 H 1.437 0.007 2 235 27 27 LYS HG3 H 1.624 0.009 2 236 27 27 LYS HD2 H 1.624 0 2 237 27 27 LYS HD3 H 1.624 0 2 238 27 27 LYS HE2 H 2.91 0.006 2 239 27 27 LYS HE3 H 2.91 0.006 2 240 27 27 LYS CA C 57.186 0.107 1 241 27 27 LYS CB C 29.814 0.091 1 242 27 27 LYS CG C 22.62 0.048 1 243 27 27 LYS CD C 26.574 0 1 244 27 27 LYS CE C 39.415 0.046 1 245 27 27 LYS N N 118.699 0.033 1 246 28 28 TRP H H 7.337 0.008 1 247 28 28 TRP HA H 4.186 0.007 1 248 28 28 TRP HB2 H 3.283 0.005 1 249 28 28 TRP HB3 H 3.47 0.003 1 250 28 28 TRP HD1 H 7.333 0.001 1 251 28 28 TRP HE1 H 10.255 0.001 1 252 28 28 TRP HE3 H 7.498 0.005 1 253 28 28 TRP HZ2 H 7.41 0.001 1 254 28 28 TRP HZ3 H 6.788 0 1 255 28 28 TRP HH2 H 6.805 0.023 1 256 28 28 TRP CA C 58.647 0.039 1 257 28 28 TRP CB C 25.289 0.149 1 258 28 28 TRP CD1 C 125.225 0.036 1 259 28 28 TRP CE3 C 117.491 0.003 1 260 28 28 TRP CZ2 C 112.381 0.002 1 261 28 28 TRP CZ3 C 120.187 0 1 262 28 28 TRP CH2 C 120.756 0.569 1 263 28 28 TRP N N 117.756 0.039 1 264 28 28 TRP NE1 N 131.417 0.012 1 265 29 29 LEU H H 8.323 0.004 1 266 29 29 LEU HA H 3.47 0.003 1 267 29 29 LEU HB2 H 1.313 0.003 2 268 29 29 LEU HB3 H 1.814 0.01 2 269 29 29 LEU HG H 1.767 0.011 1 270 29 29 LEU HD1 H 0.767 0.003 2 271 29 29 LEU HD2 H 0.682 0.007 2 272 29 29 LEU CA C 54.667 0.147 1 273 29 29 LEU CB C 39.707 0.09 1 274 29 29 LEU CG C 24.301 0.043 1 275 29 29 LEU CD1 C 22.503 0 2 276 29 29 LEU CD2 C 22.235 0 2 277 29 29 LEU N N 120.262 0.016 1 278 30 30 LEU H H 8.553 0.009 1 279 30 30 LEU HA H 3.874 0.003 1 280 30 30 LEU HB2 H 1.393 0.009 2 281 30 30 LEU HB3 H 1.73 0.008 2 282 30 30 LEU HG H 1.705 0.016 1 283 30 30 LEU HD1 H 0.562 0.003 2 284 30 30 LEU HD2 H 0.683 0.007 2 285 30 30 LEU CA C 55.179 0.067 1 286 30 30 LEU CB C 39.214 0.038 1 287 30 30 LEU CG C 24.496 0.084 1 288 30 30 LEU CD1 C 20.843 0.131 2 289 30 30 LEU CD2 C 22.979 0.139 2 290 30 30 LEU N N 119.261 0.041 1 291 31 31 LEU H H 6.988 0.007 1 292 31 31 LEU HA H 4.238 0.006 1 293 31 31 LEU HB2 H 1.399 0.004 2 294 31 31 LEU HB3 H 1.768 0.004 2 295 31 31 LEU HG H 1.881 0.007 1 296 31 31 LEU HD1 H 0.862 0.003 2 297 31 31 LEU HD2 H 0.892 0.006 2 298 31 31 LEU CA C 53.765 0.021 1 299 31 31 LEU CB C 38.971 0.096 1 300 31 31 LEU CG C 23.812 0.078 1 301 31 31 LEU CD1 C 19.653 0.026 2 302 31 31 LEU CD2 C 22.843 0.101 2 303 31 31 LEU N N 115.405 0.041 1 304 32 32 GLN H H 8.106 0.003 1 305 32 32 GLN HA H 4.367 0.007 1 306 32 32 GLN HB2 H 1.583 0.006 2 307 32 32 GLN HB3 H 2.062 0.004 2 308 32 32 GLN HG2 H 1.25 0.002 2 309 32 32 GLN HG3 H 1.867 0 2 310 32 32 GLN HE21 H 5.553 0.004 2 311 32 32 GLN HE22 H 5.81 0.003 2 312 32 32 GLN CA C 50.537 0.131 1 313 32 32 GLN CB C 23.142 0.13 1 314 32 32 GLN CG C 28.965 0.037 1 315 32 32 GLN N N 117.793 0.024 1 316 32 32 GLN NE2 N 110.268 0.056 1 317 33 33 TYR H H 6.779 0.01 1 318 33 33 TYR HA H 3.448 0.005 1 319 33 33 TYR HB2 H 2.575 0.005 2 320 33 33 TYR HB3 H 3.107 0.006 2 321 33 33 TYR HD1 H 6.919 0.001 3 322 33 33 TYR HD2 H 6.919 0.001 3 323 33 33 TYR HE1 H 6.737 0 3 324 33 33 TYR HE2 H 6.737 0 3 325 33 33 TYR CA C 57.617 0.063 1 326 33 33 TYR CB C 35.134 0.104 1 327 33 33 TYR CD1 C 130.534 0.03 3 328 33 33 TYR CD2 C 130.564 0 3 329 33 33 TYR CE1 C 115.67 0.051 3 330 33 33 TYR CE2 C 115.641 0 3 331 33 33 TYR N N 115.908 0.094 1 332 34 34 ARG H H 7.704 0.005 1 333 34 34 ARG HA H 3.647 0.01 1 334 34 34 ARG HB2 H 1.103 0.006 2 335 34 34 ARG HB3 H 1.521 0.007 2 336 34 34 ARG HG2 H 0.848 0.008 2 337 34 34 ARG HG3 H 1.092 0.005 2 338 34 34 ARG HD2 H 2.803 0.008 2 339 34 34 ARG HD3 H 2.927 0.003 2 340 34 34 ARG CA C 55.639 0.075 1 341 34 34 ARG CB C 26.503 0.073 1 342 34 34 ARG CG C 25.385 0.113 1 343 34 34 ARG CD C 40.386 0.035 1 344 34 34 ARG N N 121.915 0.069 1 345 35 35 ASP H H 7.694 0.005 1 346 35 35 ASP HA H 4.861 0.003 1 347 35 35 ASP HB2 H 1.975 0.003 2 348 35 35 ASP HB3 H 2.657 0.004 2 349 35 35 ASP CA C 50.005 0.028 1 350 35 35 ASP CB C 39.873 0.028 1 351 35 35 ASP N N 117.034 0.033 1 352 36 36 ALA H H 6.99 0.009 1 353 36 36 ALA HA H 3.423 0.011 1 354 36 36 ALA HB H 0.524 0.006 1 355 36 36 ALA CA C 54.031 0.035 1 356 36 36 ALA CB C 13.305 0.045 1 357 36 36 ALA N N 121.419 0.039 1 358 37 37 PRO HA H 3.953 0.005 1 359 37 37 PRO HB2 H 1.649 0.012 2 360 37 37 PRO HB3 H 2.223 0.007 2 361 37 37 PRO HG2 H 1.921 0 2 362 37 37 PRO HG3 H 1.921 0 2 363 37 37 PRO HD2 H 3.357 0.007 2 364 37 37 PRO HD3 H 3.357 0.007 2 365 37 37 PRO CA C 63.937 0.048 1 366 37 37 PRO CB C 28.315 0.097 1 367 37 37 PRO CD C 47.493 0 1 368 38 38 LYS H H 7.025 0.006 1 369 38 38 LYS HA H 3.966 0.007 1 370 38 38 LYS HB2 H 1.659 0.007 2 371 38 38 LYS HB3 H 1.659 0.007 2 372 38 38 LYS HG2 H 1.294 0.006 2 373 38 38 LYS HG3 H 1.33 0.005 2 374 38 38 LYS HD2 H 1.542 0.002 2 375 38 38 LYS HD3 H 1.542 0.002 2 376 38 38 LYS HE2 H 2.813 0.011 2 377 38 38 LYS HE3 H 2.813 0.011 2 378 38 38 LYS CA C 55.559 0.032 1 379 38 38 LYS CB C 29.471 0.047 1 380 38 38 LYS CG C 22.363 0.104 1 381 38 38 LYS CD C 26.438 0 1 382 38 38 LYS CE C 39.133 0.031 1 383 38 38 LYS N N 118.047 0.041 1 384 39 39 VAL H H 7.748 0.006 1 385 39 39 VAL HA H 3.15 0.004 1 386 39 39 VAL HB H 2.019 0.005 1 387 39 39 VAL HG1 H 0.4 0.004 2 388 39 39 VAL HG2 H 0.788 0.005 2 389 39 39 VAL CA C 63.557 0.059 1 390 39 39 VAL CB C 28.483 0.236 1 391 39 39 VAL CG1 C 19.59 0.014 2 392 39 39 VAL CG2 C 19.814 0.079 2 393 39 39 VAL N N 119.312 0.039 1 394 40 40 ALA H H 7.895 0.005 1 395 40 40 ALA HA H 3.436 0.003 1 396 40 40 ALA HB H 0.671 0.002 1 397 40 40 ALA CA C 52.765 0.053 1 398 40 40 ALA CB C 14.863 0.038 1 399 40 40 ALA N N 120.035 0.025 1 400 41 41 GLU H H 7.738 0.004 1 401 41 41 GLU HA H 3.944 0.005 1 402 41 41 GLU HB2 H 2.028 0.009 2 403 41 41 GLU HB3 H 2.028 0.009 2 404 41 41 GLU HG2 H 2.188 0.013 2 405 41 41 GLU HG3 H 2.188 0.013 2 406 41 41 GLU CA C 56.789 0.089 1 407 41 41 GLU CB C 26.826 0.077 1 408 41 41 GLU CG C 33.139 0.071 1 409 41 41 GLU N N 117.929 0.03 1 410 42 42 MET H H 8.517 0.016 1 411 42 42 MET HA H 4.164 0.006 1 412 42 42 MET HB2 H 1.899 0.003 2 413 42 42 MET HB3 H 2.041 0.01 2 414 42 42 MET HG2 H 2.557 0.003 2 415 42 42 MET HG3 H 2.765 0.006 2 416 42 42 MET HE H 1.994 0.004 1 417 42 42 MET CA C 56.458 0.039 1 418 42 42 MET CB C 30 0.029 1 419 42 42 MET CG C 30.41 0.153 1 420 42 42 MET CE C 15.016 0 1 421 42 42 MET N N 119.3 0.019 1 422 43 43 TRP H H 9.006 0.007 1 423 43 43 TRP HA H 4.078 0.005 1 424 43 43 TRP HB2 H 3.439 0.004 2 425 43 43 TRP HB3 H 3.872 0.003 2 426 43 43 TRP HD1 H 6.991 0.007 1 427 43 43 TRP HE1 H 9.795 0.002 1 428 43 43 TRP HE3 H 7.725 0.006 1 429 43 43 TRP HZ2 H 7.114 0.002 1 430 43 43 TRP HH2 H 6.839 0.018 1 431 43 43 TRP CA C 60.208 0.048 1 432 43 43 TRP CB C 26.196 0.083 1 433 43 43 TRP CD1 C 121.911 0.037 1 434 43 43 TRP CE3 C 118.554 0.018 1 435 43 43 TRP CZ2 C 111.707 0.005 1 436 43 43 TRP CH2 C 121.35 0.184 1 437 43 43 TRP N N 122.58 0.034 1 438 43 43 TRP NE1 N 130.115 0.005 1 439 44 44 LYS H H 8.62 0.004 1 440 44 44 LYS HA H 3.35 0.007 1 441 44 44 LYS HB2 H 1.714 0.002 2 442 44 44 LYS HB3 H 2.121 0.012 2 443 44 44 LYS HG2 H 1.062 0.008 2 444 44 44 LYS HG3 H 1.128 0.01 2 445 44 44 LYS HD2 H 1.56 0.008 2 446 44 44 LYS HD3 H 1.56 0.008 2 447 44 44 LYS HE2 H 2.756 0.021 2 448 44 44 LYS HE3 H 2.756 0.021 2 449 44 44 LYS CA C 57.28 0.099 1 450 44 44 LYS CB C 29.08 0.039 1 451 44 44 LYS CD C 26.915 0 1 452 44 44 LYS CE C 39.123 0.08 1 453 44 44 LYS N N 119.469 0.016 1 454 45 45 GLU H H 7.868 0.006 1 455 45 45 GLU HA H 3.659 0.004 1 456 45 45 GLU HB2 H 1.968 0.005 2 457 45 45 GLU HB3 H 2.059 0.006 2 458 45 45 GLU HG2 H 2.109 0.009 2 459 45 45 GLU HG3 H 2.367 0.004 2 460 45 45 GLU CA C 57.018 0.051 1 461 45 45 GLU CB C 26.496 0.118 1 462 45 45 GLU CG C 33.651 0.044 1 463 45 45 GLU N N 116.144 0.028 1 464 46 46 TYR H H 7.754 0.007 1 465 46 46 TYR HA H 3.619 0.013 1 466 46 46 TYR HB2 H 2.865 0.005 2 467 46 46 TYR HB3 H 2.865 0.005 2 468 46 46 TYR HD1 H 6.589 0.003 3 469 46 46 TYR HD2 H 6.589 0.003 3 470 46 46 TYR HE1 H 6.366 0.001 3 471 46 46 TYR HE2 H 6.366 0.001 3 472 46 46 TYR CA C 59.366 0.037 1 473 46 46 TYR CB C 36.528 0.059 1 474 46 46 TYR CD1 C 129.966 0 3 475 46 46 TYR CD2 C 129.966 0 3 476 46 46 TYR CE1 C 115.211 0 3 477 46 46 TYR CE2 C 115.211 0 3 478 46 46 TYR N N 119.331 0.045 1 479 47 47 MET H H 7.882 0.008 1 480 47 47 MET HA H 3.719 0.011 1 481 47 47 MET HB2 H 0.307 0.012 2 482 47 47 MET HB3 H 1.834 0 2 483 47 47 MET HG2 H 1.144 0.003 2 484 47 47 MET HG3 H 1.369 0.006 2 485 47 47 MET HE H 1.854 0.004 1 486 47 47 MET CA C 52.336 0.026 1 487 47 47 MET CB C 28.425 0.029 1 488 47 47 MET CG C 28.731 0.077 1 489 47 47 MET CE C 14.746 0 1 490 47 47 MET N N 112.328 0.041 1 491 48 48 LEU H H 7.308 0.008 1 492 48 48 LEU HA H 4.14 0.006 1 493 48 48 LEU HB2 H 1.431 0.024 2 494 48 48 LEU HB3 H 1.536 0.002 2 495 48 48 LEU HG H 1.705 0.009 1 496 48 48 LEU HD1 H 0.557 0.008 2 497 48 48 LEU HD2 H 0.596 0.007 2 498 48 48 LEU CA C 50.911 0.099 1 499 48 48 LEU CB C 38.322 0.063 1 500 48 48 LEU CG C 23.431 0.225 1 501 48 48 LEU CD1 C 20.608 0.089 2 502 48 48 LEU CD2 C 23.209 0 2 503 48 48 LEU N N 114.435 0.016 1 504 49 49 ARG H H 7.252 0.007 1 505 49 49 ARG HA H 4.243 0.006 1 506 49 49 ARG HB2 H 1.574 0.006 2 507 49 49 ARG HB3 H 1.854 0.01 2 508 49 49 ARG HG2 H 1.462 0.039 2 509 49 49 ARG HG3 H 1.974 0.013 2 510 49 49 ARG HD2 H 2.805 0.008 2 511 49 49 ARG HD3 H 2.916 0.007 2 512 49 49 ARG CA C 52.855 0.034 1 513 49 49 ARG CB C 27.893 0.052 1 514 49 49 ARG CG C 24.336 0.042 1 515 49 49 ARG CD C 40.88 0.066 1 516 49 49 ARG N N 125.104 0.037 1 517 50 50 PRO HA H 4.379 0.003 1 518 50 50 PRO HB2 H 1.834 0.007 2 519 50 50 PRO HB3 H 2.187 0.002 2 520 50 50 PRO HG2 H 1.885 0.009 2 521 50 50 PRO HG3 H 1.93 0.007 2 522 50 50 PRO HD2 H 3.74 0.004 2 523 50 50 PRO HD3 H 3.985 0.004 2 524 50 50 PRO CA C 61.438 0.067 1 525 50 50 PRO CB C 29.023 0.028 1 526 50 50 PRO CG C 24.727 0.026 1 527 50 50 PRO CD C 48.491 0.032 1 528 51 51 SER H H 7.058 0.006 1 529 51 51 SER HA H 4.127 0.005 1 530 51 51 SER HB2 H 3.625 0 2 531 51 51 SER HB3 H 3.953 0.004 2 532 51 51 SER CA C 55.117 0.052 1 533 51 51 SER CB C 60.085 0.061 1 534 51 51 SER N N 107.475 0.025 1 535 52 52 VAL H H 6.749 0.006 1 536 52 52 VAL HA H 3.791 0.004 1 537 52 52 VAL HB H 1.507 0.005 1 538 52 52 VAL HG1 H 0.522 0.002 2 539 52 52 VAL HG2 H 0.304 0.004 2 540 52 52 VAL CA C 59.462 0.02 1 541 52 52 VAL CB C 29.014 0.06 1 542 52 52 VAL CG1 C 18.507 0.035 2 543 52 52 VAL CG2 C 19.258 0.013 2 544 52 52 VAL N N 125.244 0.01 1 545 53 53 ASN H H 8.323 0.003 1 546 53 53 ASN HA H 4.49 0.003 1 547 53 53 ASN HB2 H 2.699 0.002 2 548 53 53 ASN HB3 H 3.131 0.005 2 549 53 53 ASN HD21 H 6.86 0 2 550 53 53 ASN HD22 H 7.61 0 2 551 53 53 ASN CA C 50.602 0.044 1 552 53 53 ASN CB C 36.323 0.053 1 553 53 53 ASN N N 125.264 0.012 1 554 53 53 ASN ND2 N 113.079 0.014 1 555 54 54 THR H H 8.323 0.002 1 556 54 54 THR HA H 3.686 0.004 1 557 54 54 THR HB H 3.9 0 1 558 54 54 THR HG2 H 1.342 0.003 1 559 54 54 THR CA C 63.767 0.032 1 560 54 54 THR CB C 65.934 0.063 1 561 54 54 THR CG2 C 20.886 0.078 1 562 54 54 THR N N 112.072 0.025 1 563 55 55 ARG H H 7.939 0.008 1 564 55 55 ARG HA H 3.69 0.005 1 565 55 55 ARG HB2 H 1.743 0.005 2 566 55 55 ARG HB3 H 1.743 0.005 2 567 55 55 ARG HG2 H 1.402 0.013 2 568 55 55 ARG HG3 H 1.576 0.013 2 569 55 55 ARG HD2 H 3.093 0.006 2 570 55 55 ARG HD3 H 3.093 0.006 2 571 55 55 ARG CA C 56.856 0.046 1 572 55 55 ARG CB C 26.417 0.121 1 573 55 55 ARG CG C 25.265 0.154 1 574 55 55 ARG CD C 40.322 0.063 1 575 55 55 ARG N N 121.154 0.02 1 576 56 56 ARG H H 7.799 0.004 1 577 56 56 ARG HA H 3.854 0.004 1 578 56 56 ARG HB2 H 1.917 0 2 579 56 56 ARG HB3 H 1.917 0 2 580 56 56 ARG HG2 H 1.835 0.012 2 581 56 56 ARG HG3 H 1.835 0.012 2 582 56 56 ARG HD2 H 3.25 0.009 2 583 56 56 ARG HD3 H 3.25 0.009 2 584 56 56 ARG CA C 56.716 0.068 1 585 56 56 ARG CG C 25.105 0.052 1 586 56 56 ARG CD C 40.474 0 1 587 56 56 ARG N N 118.246 0.058 1 588 57 57 LYS H H 7.842 0.005 1 589 57 57 LYS HA H 4.099 0.008 1 590 57 57 LYS HB2 H 1.566 0.003 2 591 57 57 LYS HB3 H 2.084 0.004 2 592 57 57 LYS HG2 H 1.071 0.009 2 593 57 57 LYS HG3 H 1.071 0.009 2 594 57 57 LYS HD2 H 1.332 0 2 595 57 57 LYS HD3 H 1.332 0 2 596 57 57 LYS HE2 H 2.522 0 2 597 57 57 LYS HE3 H 2.918 0 2 598 57 57 LYS CA C 57.484 0.053 1 599 57 57 LYS CB C 30.282 0.127 1 600 57 57 LYS CG C 25.197 0 1 601 57 57 LYS CD C 27.021 0 1 602 57 57 LYS CE C 40.415 0.058 1 603 57 57 LYS N N 119.423 0.045 1 604 58 58 LEU H H 8.058 0.01 1 605 58 58 LEU HA H 3.774 0.007 1 606 58 58 LEU HB2 H 1.027 0.002 2 607 58 58 LEU HB3 H 1.891 0.008 2 608 58 58 LEU HD1 H 0.507 0.013 2 609 58 58 LEU HD2 H 0.7 0.009 2 610 58 58 LEU CA C 55.683 0.045 1 611 58 58 LEU CB C 37.812 0.092 1 612 58 58 LEU CD1 C 20.072 0.096 2 613 58 58 LEU CD2 C 23.2 0.005 2 614 58 58 LEU N N 121.545 0.044 1 615 59 59 LEU H H 7.471 0.009 1 616 59 59 LEU HA H 3.787 0.007 1 617 59 59 LEU HB2 H 1.141 0.013 2 618 59 59 LEU HB3 H 1.948 0.007 2 619 59 59 LEU HG H 1.877 0.006 1 620 59 59 LEU HD1 H 0.649 0.004 2 621 59 59 LEU HD2 H 0.568 0.007 2 622 59 59 LEU CA C 55.293 0.023 1 623 59 59 LEU CB C 36.674 0.07 1 624 59 59 LEU CG C 23.848 0.026 1 625 59 59 LEU CD1 C 18.902 0.024 2 626 59 59 LEU CD2 C 22.774 0.075 2 627 59 59 LEU N N 115.863 0.025 1 628 60 60 GLY H H 8.251 0.005 1 629 60 60 GLY HA2 H 3.641 0.003 2 630 60 60 GLY HA3 H 4.147 0.007 2 631 60 60 GLY CA C 44.678 0.026 1 632 60 60 GLY N N 106.42 0.015 1 633 61 61 LEU H H 8.501 0.005 1 634 61 61 LEU HA H 4.502 0.004 1 635 61 61 LEU HB2 H 1.378 0.005 2 636 61 61 LEU HB3 H 2.656 0.006 2 637 61 61 LEU HG H 1.674 0.006 1 638 61 61 LEU HD1 H 1.036 0.008 2 639 61 61 LEU HD2 H 0.973 0.009 2 640 61 61 LEU CA C 55.826 0.05 1 641 61 61 LEU CB C 38.401 0.1 1 642 61 61 LEU CG C 24.835 0 1 643 61 61 LEU CD1 C 21.444 0.03 2 644 61 61 LEU CD2 C 23.632 0.063 2 645 61 61 LEU N N 127.392 0.018 1 646 62 62 TYR H H 8.449 0.009 1 647 62 62 TYR HA H 4.337 0.003 1 648 62 62 TYR HB2 H 2.236 0.012 2 649 62 62 TYR HB3 H 3.138 0.005 2 650 62 62 TYR HD1 H 6.58 0.001 3 651 62 62 TYR HD2 H 6.58 0.001 3 652 62 62 TYR HE1 H 6.739 0.006 3 653 62 62 TYR HE2 H 6.739 0.006 3 654 62 62 TYR CA C 54.114 0.045 1 655 62 62 TYR CB C 32.852 0.083 1 656 62 62 TYR CD1 C 127.477 0 3 657 62 62 TYR CD2 C 127.452 0 3 658 62 62 TYR CE1 C 118.012 0 3 659 62 62 TYR CE2 C 118.012 0 3 660 62 62 TYR N N 120.944 0.055 1 661 63 63 LEU H H 8.493 0.01 1 662 63 63 LEU HA H 3.965 0.004 1 663 63 63 LEU HB2 H 1.404 0.013 2 664 63 63 LEU HB3 H 2.04 0.005 2 665 63 63 LEU HG H 1.358 0.007 1 666 63 63 LEU HD1 H 0.899 0.002 2 667 63 63 LEU HD2 H 0.961 0.004 2 668 63 63 LEU CA C 55.419 0.037 1 669 63 63 LEU CB C 38.706 0.078 1 670 63 63 LEU CG C 24.517 0 1 671 63 63 LEU CD1 C 21.492 0.027 2 672 63 63 LEU CD2 C 23.959 0.008 2 673 63 63 LEU N N 118.625 0.073 1 674 64 64 MET H H 7.341 0.004 1 675 64 64 MET HA H 2.711 0.003 1 676 64 64 MET HB2 H 0.685 0.006 2 677 64 64 MET HB3 H 0.863 0.016 2 678 64 64 MET HG2 H 1.054 0.011 2 679 64 64 MET HG3 H 2.003 0.004 2 680 64 64 MET HE H 1.822 0.001 1 681 64 64 MET CA C 57.352 0.012 1 682 64 64 MET CB C 28.628 0.059 1 683 64 64 MET CG C 28.184 0.117 1 684 64 64 MET CE C 14.131 0 1 685 64 64 MET N N 117.675 0.038 1 686 65 65 ASN H H 8.288 0.004 1 687 65 65 ASN HA H 3.881 0.002 1 688 65 65 ASN HB2 H 2.453 0.001 2 689 65 65 ASN HB3 H 3.324 0.006 2 690 65 65 ASN CA C 54.541 0.033 1 691 65 65 ASN CB C 38.038 0.033 1 692 65 65 ASN N N 115.304 0.023 1 693 66 66 HIS H H 8.461 0.007 1 694 66 66 HIS HA H 3.495 0.004 1 695 66 66 HIS HB2 H 3.015 0.006 2 696 66 66 HIS HB3 H 3.086 0.007 2 697 66 66 HIS HE1 H 7.762 0 1 698 66 66 HIS CA C 58.726 0.084 1 699 66 66 HIS CB C 28.719 0.071 1 700 66 66 HIS CE1 C 135.205 0 1 701 66 66 HIS N N 120.215 0.052 1 702 67 67 VAL H H 8.172 0.006 1 703 67 67 VAL HA H 3.5 0.013 1 704 67 67 VAL HB H 1.595 0.003 1 705 67 67 VAL HG1 H 0.089 0.003 2 706 67 67 VAL HG2 H 0.723 0.006 2 707 67 67 VAL CA C 62.997 0.05 1 708 67 67 VAL CB C 28.573 0.163 1 709 67 67 VAL CG1 C 18.014 0.009 2 710 67 67 VAL CG2 C 21.535 0.003 2 711 67 67 VAL N N 115.991 0.021 1 712 68 68 VAL H H 8.253 0.004 1 713 68 68 VAL HA H 3.575 0.014 1 714 68 68 VAL HB H 1.593 0.003 1 715 68 68 VAL HG1 H 0.707 0.002 2 716 68 68 VAL HG2 H 0.64 0.025 2 717 68 68 VAL CA C 63.212 0.061 1 718 68 68 VAL CB C 27.914 0.045 1 719 68 68 VAL CG1 C 18.163 0.039 2 720 68 68 VAL CG2 C 20.384 0.013 2 721 68 68 VAL N N 113.374 0.042 1 722 69 69 GLN H H 7.289 0.006 1 723 69 69 GLN HA H 3.793 0.011 1 724 69 69 GLN HB2 H 1.609 0.002 2 725 69 69 GLN HB3 H 2.03 0.006 2 726 69 69 GLN HG2 H 1.381 0.005 2 727 69 69 GLN HG3 H 2.754 0.004 2 728 69 69 GLN HE21 H 5.372 0 2 729 69 69 GLN HE22 H 7.872 0 2 730 69 69 GLN CA C 58.722 0.065 1 731 69 69 GLN CB C 26.115 0 1 732 69 69 GLN CG C 32.735 0.027 1 733 69 69 GLN N N 119.206 0.035 1 734 69 69 GLN NE2 N 110.594 0.009 1 735 70 70 GLN H H 8.408 0.005 1 736 70 70 GLN HA H 4.036 0.006 1 737 70 70 GLN HB2 H 1.648 0.01 2 738 70 70 GLN HB3 H 2.03 0.004 2 739 70 70 GLN HG2 H 2.05 0.006 2 740 70 70 GLN HG3 H 2.431 0.007 2 741 70 70 GLN HE21 H 6.54 0.003 2 742 70 70 GLN HE22 H 8.113 0.004 2 743 70 70 GLN CA C 56.869 0 1 744 70 70 GLN CB C 26.535 0 1 745 70 70 GLN CG C 32.658 0.135 1 746 70 70 GLN N N 119.099 0.02 1 747 70 70 GLN NE2 N 113.275 0.028 1 748 71 71 ALA H H 8.914 0.008 1 749 71 71 ALA HA H 3.753 0.006 1 750 71 71 ALA HB H 1.599 0.002 1 751 71 71 ALA CA C 52.838 0.01 1 752 71 71 ALA CB C 15.781 0.004 1 753 71 71 ALA N N 120.848 0 1 754 72 72 LYS H H 7.474 0.007 1 755 72 72 LYS HA H 3.95 0.008 1 756 72 72 LYS HB2 H 1.758 0.004 2 757 72 72 LYS HB3 H 1.758 0.004 2 758 72 72 LYS HG2 H 1.356 0.006 2 759 72 72 LYS HG3 H 1.356 0.006 2 760 72 72 LYS HD2 H 1.591 0.007 2 761 72 72 LYS HD3 H 1.591 0.007 2 762 72 72 LYS HE2 H 2.986 0.005 2 763 72 72 LYS HE3 H 2.986 0.005 2 764 72 72 LYS CA C 56.839 0.121 1 765 72 72 LYS CB C 29.26 0.109 1 766 72 72 LYS CG C 22.695 0 1 767 72 72 LYS CD C 27.581 0 1 768 72 72 LYS CE C 39.709 0 1 769 72 72 LYS N N 118.839 0.034 1 770 73 73 GLY H H 7.745 0.01 1 771 73 73 GLY HA2 H 3.597 0.009 2 772 73 73 GLY HA3 H 3.903 0.003 2 773 73 73 GLY CA C 44.452 0.027 1 774 73 73 GLY N N 107.144 0.065 1 775 74 74 GLN H H 7.767 0.007 1 776 74 74 GLN HA H 4.174 0.004 1 777 74 74 GLN HB2 H 1.572 0.009 2 778 74 74 GLN HB3 H 2.29 0.005 2 779 74 74 GLN HG2 H 2.268 0.038 2 780 74 74 GLN HG3 H 2.361 0.004 2 781 74 74 GLN HE21 H 6.557 0 2 782 74 74 GLN HE22 H 7.483 0 2 783 74 74 GLN CA C 52.789 0.02 1 784 74 74 GLN CB C 26.585 0.035 1 785 74 74 GLN CG C 31.607 0.081 1 786 74 74 GLN N N 116.933 0.034 1 787 74 74 GLN NE2 N 111.648 0.002 1 788 75 75 LYS H H 7.668 0.006 1 789 75 75 LYS HA H 3.826 0.002 1 790 75 75 LYS HB2 H 1.822 0.01 2 791 75 75 LYS HB3 H 2.04 0.001 2 792 75 75 LYS HG2 H 1.24 0.003 2 793 75 75 LYS HG3 H 1.24 0.003 2 794 75 75 LYS HD2 H 1.608 0.018 2 795 75 75 LYS HD3 H 1.608 0.018 2 796 75 75 LYS HE2 H 2.899 0.005 2 797 75 75 LYS HE3 H 2.899 0.005 2 798 75 75 LYS CA C 54.737 0.043 1 799 75 75 LYS CG C 22.369 0.031 1 800 75 75 LYS CD C 26.502 0.114 1 801 75 75 LYS CE C 39.576 0.008 1 802 75 75 LYS N N 115.908 0.052 1 803 76 76 ILE H H 8.593 0.006 1 804 76 76 ILE HA H 4.262 0.007 1 805 76 76 ILE HB H 1.791 0.004 1 806 76 76 ILE HG12 H 1.379 0.006 2 807 76 76 ILE HG13 H 1.379 0.006 2 808 76 76 ILE HG2 H 0.965 0.003 1 809 76 76 ILE HD1 H 0.699 0.004 1 810 76 76 ILE CA C 57.128 0.053 1 811 76 76 ILE CB C 34.942 0.045 1 812 76 76 ILE CG1 C 24.093 0 1 813 76 76 ILE CG2 C 16.345 0.101 1 814 76 76 ILE CD1 C 11.043 0.023 1 815 76 76 ILE N N 121.447 0.052 1 816 77 77 ILE H H 7.733 0.002 1 817 77 77 ILE HA H 4.079 0.004 1 818 77 77 ILE HB H 1.845 0.004 1 819 77 77 ILE HG12 H 1.202 0.006 2 820 77 77 ILE HG13 H 1.267 0.015 2 821 77 77 ILE HG2 H 0.834 0.001 1 822 77 77 ILE HD1 H 0.779 0.003 1 823 77 77 ILE CA C 60.13 0.049 1 824 77 77 ILE CB C 36.008 0.01 1 825 77 77 ILE CG1 C 24.578 0.056 1 826 77 77 ILE CG2 C 15.05 0.008 1 827 77 77 ILE CD1 C 10.757 0.006 1 828 77 77 ILE N N 123.282 0.036 1 829 78 78 GLN HA H 4.033 0.001 1 830 78 78 GLN HB2 H 1.595 0 2 831 78 78 GLN HB3 H 1.762 0.004 2 832 78 78 GLN HG2 H 2.402 0.003 2 833 78 78 GLN HG3 H 2.585 0.007 2 834 78 78 GLN HE21 H 6.883 0.003 2 835 78 78 GLN HE22 H 7.603 0.001 2 836 78 78 GLN CA C 57.556 0 1 837 78 78 GLN CB C 25.768 0 1 838 78 78 GLN CG C 31.975 0.073 1 839 78 78 GLN NE2 N 110.763 0.01 1 840 79 79 PHE HA H 4.344 0.003 1 841 79 79 PHE HB2 H 2.734 0.008 2 842 79 79 PHE HB3 H 2.95 0.005 2 843 79 79 PHE HD1 H 7.133 0 3 844 79 79 PHE HD2 H 7.133 0 3 845 79 79 PHE HE1 H 7.062 0 3 846 79 79 PHE HE2 H 7.062 0 3 847 79 79 PHE HZ H 6.909 0 1 848 79 79 PHE CA C 60.282 0.047 1 849 79 79 PHE CB C 36.92 0.122 1 850 79 79 PHE CD1 C 128.125 0 3 851 79 79 PHE CD2 C 128.146 0 3 852 79 79 PHE CE1 C 127.62 0 3 853 79 79 PHE CE2 C 127.62 0 3 854 79 79 PHE CZ C 125.529 0 1 855 80 80 GLN HA H 3.964 0.001 1 856 80 80 GLN HB2 H 2.274 0 2 857 80 80 GLN HB3 H 2.329 0.003 2 858 80 80 GLN HG2 H 2.227 0 2 859 80 80 GLN HG3 H 2.294 0 2 860 80 80 GLN HE21 H 6.859 0.001 2 861 80 80 GLN HE22 H 7.681 0.008 2 862 80 80 GLN CA C 57.46 0.008 1 863 80 80 GLN CB C 26.539 0.091 1 864 80 80 GLN NE2 N 110.717 0.019 1 865 81 81 ASP H H 7.975 0.008 1 866 81 81 ASP HA H 4.359 0.003 1 867 81 81 ASP HB2 H 2.56 0.003 2 868 81 81 ASP HB3 H 2.56 0.003 2 869 81 81 ASP CA C 54.464 0.046 1 870 81 81 ASP CB C 38.476 0.031 1 871 81 81 ASP N N 118.225 0.051 1 872 82 82 SER H H 8.076 0.006 1 873 82 82 SER HA H 4.094 0.008 1 874 82 82 SER HB2 H 3.422 0.006 2 875 82 82 SER HB3 H 3.422 0.006 2 876 82 82 SER CA C 60.021 0.106 1 877 82 82 SER CB C 59.797 0.055 1 878 82 82 SER N N 113.695 0.026 1 879 83 83 PHE H H 8.388 0.004 1 880 83 83 PHE HA H 4.257 0.004 1 881 83 83 PHE HB2 H 2.675 0 2 882 83 83 PHE HB3 H 3.15 0.004 2 883 83 83 PHE HD1 H 6.868 0.001 3 884 83 83 PHE HD2 H 6.868 0.001 3 885 83 83 PHE HE1 H 6.493 0.005 3 886 83 83 PHE HE2 H 6.493 0.005 3 887 83 83 PHE HZ H 6.445 0.013 1 888 83 83 PHE CA C 59.778 0.028 1 889 83 83 PHE CB C 35.157 0.048 1 890 83 83 PHE CD1 C 128.858 0.044 3 891 83 83 PHE CD2 C 128.883 0 3 892 83 83 PHE CE1 C 127.612 0.009 3 893 83 83 PHE CE2 C 127.599 0 3 894 83 83 PHE CZ C 124.787 0.011 1 895 83 83 PHE N N 117.974 0.023 1 896 84 84 GLY H H 7.988 0.007 1 897 84 84 GLY HA2 H 2.961 0.003 2 898 84 84 GLY HA3 H 3.905 0.004 2 899 84 84 GLY CA C 44.792 0.063 1 900 84 84 GLY N N 107.785 0.02 1 901 85 85 LYS H H 7.043 0.008 1 902 85 85 LYS HA H 4.043 0.003 1 903 85 85 LYS HB2 H 1.819 0.012 2 904 85 85 LYS HB3 H 1.881 0.03 2 905 85 85 LYS HG2 H 1.391 0.003 2 906 85 85 LYS HG3 H 1.574 0.003 2 907 85 85 LYS HD2 H 1.616 0 2 908 85 85 LYS HD3 H 1.616 0 2 909 85 85 LYS HE2 H 2.879 0.016 2 910 85 85 LYS HE3 H 2.879 0.016 2 911 85 85 LYS CA C 55.93 0.015 1 912 85 85 LYS CB C 30.652 0.049 1 913 85 85 LYS CG C 22.877 0.123 1 914 85 85 LYS CE C 39.327 0.018 1 915 85 85 LYS N N 116.543 0.025 1 916 86 86 VAL H H 6.805 0.008 1 917 86 86 VAL HA H 4.928 0.002 1 918 86 86 VAL HB H 2.481 0.001 1 919 86 86 VAL HG1 H 1.225 0.004 2 920 86 86 VAL HG2 H 0.879 0.004 2 921 86 86 VAL CA C 57.683 0.046 1 922 86 86 VAL CB C 30.663 0.138 1 923 86 86 VAL CG1 C 16.128 0.005 2 924 86 86 VAL CG2 C 19.074 0 2 925 86 86 VAL N N 105.249 0.024 1 926 87 87 ALA H H 7.5 0.008 1 927 87 87 ALA HA H 3.887 0.003 1 928 87 87 ALA HB H 1.063 0.003 1 929 87 87 ALA CA C 54.038 0.032 1 930 87 87 ALA CB C 15.679 0.022 1 931 87 87 ALA N N 122.775 0.016 1 932 88 88 ALA H H 9.246 0.001 1 933 88 88 ALA HA H 3.707 0.003 1 934 88 88 ALA HB H 1.174 0.003 1 935 88 88 ALA CA C 54.122 0.049 1 936 88 88 ALA CB C 14.442 0.023 1 937 88 88 ALA N N 119.085 0.011 1 938 89 89 GLU H H 8.661 0.004 1 939 89 89 GLU HA H 3.84 0.001 1 940 89 89 GLU HB2 H 1.817 0.007 2 941 89 89 GLU HB3 H 1.977 0.006 2 942 89 89 GLU HG2 H 1.911 0.01 2 943 89 89 GLU HG3 H 2.131 0.005 2 944 89 89 GLU CA C 56.095 0.014 1 945 89 89 GLU CB C 26.725 0.073 1 946 89 89 GLU CG C 32.803 0.033 1 947 89 89 GLU N N 119.403 0.026 1 948 90 90 VAL H H 7.589 0.003 1 949 90 90 VAL HA H 3.361 0.012 1 950 90 90 VAL HB H 1.964 0.009 1 951 90 90 VAL HG1 H 0.332 0.002 2 952 90 90 VAL HG2 H 0.914 0.004 2 953 90 90 VAL CA C 63.863 0.052 1 954 90 90 VAL CB C 29.282 0.007 1 955 90 90 VAL CG1 C 19.585 0.073 2 956 90 90 VAL CG2 C 20.843 0.045 2 957 90 90 VAL N N 115.96 0.017 1 958 91 91 LEU H H 8.934 0.006 1 959 91 91 LEU HA H 3.743 0.003 1 960 91 91 LEU HB2 H 1.187 0.004 2 961 91 91 LEU HB3 H 1.796 0.004 2 962 91 91 LEU HG H 1.829 0.005 1 963 91 91 LEU HD1 H 0.729 0.002 2 964 91 91 LEU HD2 H 0.826 0.005 2 965 91 91 LEU CA C 55.99 0.018 1 966 91 91 LEU CB C 36.798 0.032 1 967 91 91 LEU CG C 26.724 0.006 1 968 91 91 LEU CD1 C 21.703 0.049 2 969 91 91 LEU CD2 C 22.017 0.012 2 970 91 91 LEU N N 118.452 0.026 1 971 92 92 GLY H H 7.979 0.009 1 972 92 92 GLY HA2 H 3.437 0.005 2 973 92 92 GLY HA3 H 3.766 0.003 2 974 92 92 GLY CA C 44.548 0.025 1 975 92 92 GLY N N 103.404 0.023 1 976 93 93 ARG H H 7.146 0.005 1 977 93 93 ARG HA H 4.02 0.003 1 978 93 93 ARG HB2 H 1.673 0.01 2 979 93 93 ARG HB3 H 1.735 0.006 2 980 93 93 ARG HG2 H 1.496 0 2 981 93 93 ARG HG3 H 1.565 0 2 982 93 93 ARG HD2 H 3.026 0.006 2 983 93 93 ARG HD3 H 3.064 0.007 2 984 93 93 ARG CA C 55.416 0.039 1 985 93 93 ARG CB C 26.538 0.075 1 986 93 93 ARG CD C 39.324 0.105 1 987 93 93 ARG N N 120.142 0.035 1 988 94 94 ILE H H 8.325 0.005 1 989 94 94 ILE HA H 3.717 0.007 1 990 94 94 ILE HB H 1.028 0.002 1 991 94 94 ILE HG12 H 0.626 0 2 992 94 94 ILE HG13 H 1.404 0 2 993 94 94 ILE HG2 H 0.537 0 1 994 94 94 ILE HD1 H 0.444 0.006 1 995 94 94 ILE CA C 61.861 0.039 1 996 94 94 ILE CB C 32.931 0.012 1 997 94 94 ILE CG1 C 22.484 0.04 1 998 94 94 ILE CG2 C 15.001 0 1 999 94 94 ILE CD1 C 11.297 0.02 1 1000 94 94 ILE N N 113.97 0.032 1 1001 95 95 ASN H H 7.551 0.008 1 1002 95 95 ASN HA H 3.964 0.004 1 1003 95 95 ASN HB2 H 2.6 0.003 2 1004 95 95 ASN HB3 H 2.6 0.003 2 1005 95 95 ASN HD21 H 6.662 0.004 2 1006 95 95 ASN HD22 H 7.534 0 2 1007 95 95 ASN CA C 54.131 0.053 1 1008 95 95 ASN CB C 37.037 0.03 1 1009 95 95 ASN N N 118.041 0.027 1 1010 95 95 ASN ND2 N 113.784 0.001 1 1011 96 96 GLN H H 6.828 0.007 1 1012 96 96 GLN HA H 3.985 0.01 1 1013 96 96 GLN HB2 H 2.065 0.003 2 1014 96 96 GLN HB3 H 2.103 0.006 2 1015 96 96 GLN HG2 H 2.296 0.005 2 1016 96 96 GLN HG3 H 2.489 0.006 2 1017 96 96 GLN HE21 H 6.728 0 2 1018 96 96 GLN HE22 H 7.338 0 2 1019 96 96 GLN CA C 54.879 0.041 1 1020 96 96 GLN CB C 26.235 0.124 1 1021 96 96 GLN CG C 31.198 0.075 1 1022 96 96 GLN N N 111.936 0.085 1 1023 96 96 GLN NE2 N 111.993 0.042 1 1024 97 97 GLU H H 7.114 0.007 1 1025 97 97 GLU HA H 4.139 0.006 1 1026 97 97 GLU HB2 H 1.917 0.008 1 1027 97 97 GLU HB3 H 1.948 0.008 2 1028 97 97 GLU HG2 H 2.117 0.006 2 1029 97 97 GLU HG3 H 2.202 0.006 2 1030 97 97 GLU CA C 53.922 0.067 1 1031 97 97 GLU CB C 28.354 0.062 1 1032 97 97 GLU CG C 33.306 0.001 1 1033 97 97 GLU N N 116.691 0.05 1 1034 98 98 PHE H H 7.834 0.007 1 1035 98 98 PHE HA H 4.824 0.005 1 1036 98 98 PHE HB2 H 3.051 0.004 2 1037 98 98 PHE HB3 H 3.229 0.002 2 1038 98 98 PHE HD1 H 6.809 0.006 3 1039 98 98 PHE HD2 H 6.809 0.006 3 1040 98 98 PHE HE1 H 6.993 0 3 1041 98 98 PHE HE2 H 6.993 0 3 1042 98 98 PHE HZ H 6.566 0 1 1043 98 98 PHE CA C 49.95 0.067 1 1044 98 98 PHE CB C 35.12 0.101 1 1045 98 98 PHE CD1 C 126.32 0 3 1046 98 98 PHE CD2 C 126.32 0 3 1047 98 98 PHE CE1 C 127.986 0 3 1048 98 98 PHE CE2 C 127.986 0 3 1049 98 98 PHE CZ C 124.771 0 1 1050 98 98 PHE N N 120.554 0.007 1 1051 99 99 PRO HA H 4.699 0.002 1 1052 99 99 PRO HB2 H 2.196 0.004 2 1053 99 99 PRO HB3 H 2.371 0.002 2 1054 99 99 PRO HG2 H 1.914 0 2 1055 99 99 PRO HG3 H 2.103 0.004 2 1056 99 99 PRO HD2 H 3.342 0.004 2 1057 99 99 PRO HD3 H 3.981 0.003 2 1058 99 99 PRO CA C 58.892 0.058 1 1059 99 99 PRO CB C 29.705 0.071 1 1060 99 99 PRO CG C 24.772 0.091 1 1061 99 99 PRO CD C 47.801 0.07 1 1062 100 100 ARG H H 8.902 0.002 1 1063 100 100 ARG HA H 3.728 0.003 1 1064 100 100 ARG HB2 H 1.794 0.003 2 1065 100 100 ARG HB3 H 1.905 0.002 2 1066 100 100 ARG HG2 H 1.534 0.001 2 1067 100 100 ARG HG3 H 1.693 0.009 2 1068 100 100 ARG HD2 H 3.131 0.008 2 1069 100 100 ARG HD3 H 3.131 0.008 2 1070 100 100 ARG CA C 58.147 0.067 1 1071 100 100 ARG CB C 27.622 0.064 1 1072 100 100 ARG CG C 24.432 0.094 1 1073 100 100 ARG CD C 40.551 0.015 1 1074 100 100 ARG N N 120.943 0.071 1 1075 101 101 ASP H H 9.055 0.005 1 1076 101 101 ASP HA H 4.26 0.006 1 1077 101 101 ASP HB2 H 2.46 0.006 2 1078 101 101 ASP HB3 H 2.614 0.002 2 1079 101 101 ASP CA C 54.26 0.041 1 1080 101 101 ASP CB C 36.416 0.084 1 1081 101 101 ASP N N 116.187 0.016 1 1082 102 102 LEU H H 7.214 0.008 1 1083 102 102 LEU HA H 4.009 0.006 1 1084 102 102 LEU HB2 H 0.764 0.006 2 1085 102 102 LEU HB3 H 1.069 0.004 2 1086 102 102 LEU HG H 1.362 0.004 1 1087 102 102 LEU HD1 H 0.328 0.009 2 1088 102 102 LEU HD2 H 0.358 0.007 2 1089 102 102 LEU CA C 54.497 0.012 1 1090 102 102 LEU CB C 37.389 0.06 1 1091 102 102 LEU CG C 25.368 0.131 1 1092 102 102 LEU CD1 C 20.647 0.171 2 1093 102 102 LEU CD2 C 21.68 0.006 2 1094 102 102 LEU N N 120.416 0.019 1 1095 103 103 LYS H H 8.594 0.007 1 1096 103 103 LYS HA H 4.038 0.007 1 1097 103 103 LYS HB2 H 1.94 0.006 2 1098 103 103 LYS HB3 H 1.94 0.006 2 1099 103 103 LYS HG2 H 1.579 0.032 2 1100 103 103 LYS HG3 H 1.579 0.032 2 1101 103 103 LYS HD2 H 1.577 0.006 2 1102 103 103 LYS HD3 H 1.577 0.006 2 1103 103 103 LYS HE2 H 2.982 0.008 2 1104 103 103 LYS HE3 H 2.982 0.008 2 1105 103 103 LYS CA C 58.481 0.098 1 1106 103 103 LYS CB C 30.647 0 1 1107 103 103 LYS CG C 22.867 0 1 1108 103 103 LYS CD C 27.181 0 1 1109 103 103 LYS CE C 39.694 0 1 1110 103 103 LYS N N 122.216 0.024 1 1111 104 104 LYS H H 7.455 0.009 1 1112 104 104 LYS HA H 4.058 0.007 1 1113 104 104 LYS HB2 H 1.851 0.001 2 1114 104 104 LYS HB3 H 1.851 0.001 2 1115 104 104 LYS HG2 H 1.377 0 2 1116 104 104 LYS HG3 H 1.553 0 2 1117 104 104 LYS HD2 H 1.624 0.005 2 1118 104 104 LYS HD3 H 1.624 0.005 2 1119 104 104 LYS HE2 H 2.875 0.014 2 1120 104 104 LYS HE3 H 2.875 0.014 2 1121 104 104 LYS CA C 56.796 0.023 1 1122 104 104 LYS CB C 29.49 0.06 1 1123 104 104 LYS CG C 22.477 0.098 1 1124 104 104 LYS CD C 26.696 0 1 1125 104 104 LYS CE C 39.349 0.026 1 1126 104 104 LYS N N 117.512 0.039 1 1127 105 105 LYS H H 6.978 0.006 1 1128 105 105 LYS HA H 4.088 0.028 1 1129 105 105 LYS HB2 H 1.972 0.02 2 1130 105 105 LYS HB3 H 1.972 0.02 2 1131 105 105 LYS HG2 H 1.511 0.003 2 1132 105 105 LYS HG3 H 1.633 0 2 1133 105 105 LYS HE2 H 2.896 0 2 1134 105 105 LYS HE3 H 2.896 0 2 1135 105 105 LYS CA C 56.875 0.074 1 1136 105 105 LYS CB C 29.966 0.035 1 1137 105 105 LYS CG C 23.801 0 1 1138 105 105 LYS N N 119.164 0.053 1 1139 106 106 LEU H H 8.207 0.003 1 1140 106 106 LEU HA H 3.898 0.005 1 1141 106 106 LEU HB2 H 1.619 0.015 2 1142 106 106 LEU HB3 H 2.127 0.005 2 1143 106 106 LEU HG H 1.508 0.01 1 1144 106 106 LEU HD1 H 0.769 0.005 2 1145 106 106 LEU HD2 H 0.763 0.003 2 1146 106 106 LEU CA C 56.677 0.052 1 1147 106 106 LEU CB C 38.786 0.03 1 1148 106 106 LEU CG C 25.064 0.171 1 1149 106 106 LEU CD1 C 22.739 0 2 1150 106 106 LEU CD2 C 24.374 0.114 2 1151 106 106 LEU N N 121.481 0.018 1 1152 107 107 SER H H 8.551 0.006 1 1153 107 107 SER HA H 3.849 0.002 1 1154 107 107 SER HB2 H 3.895 0 2 1155 107 107 SER HB3 H 3.895 0 2 1156 107 107 SER CA C 59.648 0.142 1 1157 107 107 SER CB C 59.93 0 1 1158 107 107 SER N N 114.977 0.022 1 1159 108 108 ARG H H 7.561 0.005 1 1160 108 108 ARG HA H 4.051 0.003 1 1161 108 108 ARG HB2 H 1.956 0.002 2 1162 108 108 ARG HB3 H 1.956 0.002 2 1163 108 108 ARG HD2 H 3.101 0.004 2 1164 108 108 ARG HD3 H 3.101 0.004 2 1165 108 108 ARG CA C 57.354 0.08 1 1166 108 108 ARG CB C 26.242 0.102 1 1167 108 108 ARG CD C 39.981 0 1 1168 108 108 ARG N N 120.954 0.02 1 1169 109 109 VAL H H 7.726 0.006 1 1170 109 109 VAL HA H 3.334 0.005 1 1171 109 109 VAL HB H 2.435 0.003 1 1172 109 109 VAL HG1 H 0.893 0.002 2 1173 109 109 VAL HG2 H 1.207 0.005 2 1174 109 109 VAL CA C 64.836 0.095 1 1175 109 109 VAL CB C 28.683 0.02 1 1176 109 109 VAL CG1 C 18.272 0.011 2 1177 109 109 VAL CG2 C 20.652 0.009 2 1178 109 109 VAL N N 118.204 0.055 1 1179 110 110 VAL H H 8.217 0 1 1180 110 110 VAL HA H 3.3 0.001 1 1181 110 110 VAL HB H 2.106 0 1 1182 110 110 VAL HG1 H 0.792 0.003 2 1183 110 110 VAL HG2 H 0.896 0.007 2 1184 110 110 VAL CA C 65.203 0.041 1 1185 110 110 VAL CB C 28.302 0 1 1186 110 110 VAL CG1 C 18.322 0 2 1187 110 110 VAL CG2 C 21.452 0.036 2 1188 110 110 VAL N N 118.277 0 1 1189 111 111 ASN H H 8.179 0.005 1 1190 111 111 ASN HA H 4.318 0.008 1 1191 111 111 ASN HB2 H 2.736 0.013 2 1192 111 111 ASN HB3 H 2.828 0.005 2 1193 111 111 ASN HD21 H 6.827 0.006 2 1194 111 111 ASN HD22 H 7.382 0.005 2 1195 111 111 ASN CA C 54.01 0.052 1 1196 111 111 ASN CB C 35.495 0.034 1 1197 111 111 ASN N N 117.465 0.019 1 1198 111 111 ASN ND2 N 112.477 0.001 1 1199 112 112 ILE H H 8.179 0.008 1 1200 112 112 ILE HA H 3.641 0.005 1 1201 112 112 ILE HB H 1.773 0.009 1 1202 112 112 ILE HG12 H 0.991 0.005 2 1203 112 112 ILE HG13 H 1.42 0.005 2 1204 112 112 ILE HG2 H 0.564 0.01 1 1205 112 112 ILE HD1 H 0.537 0 1 1206 112 112 ILE CA C 61.332 0.078 1 1207 112 112 ILE CB C 34.702 0.156 1 1208 112 112 ILE CG1 C 26.066 0.028 1 1209 112 112 ILE CG2 C 14.704 0 1 1210 112 112 ILE CD1 C 12.22 0 1 1211 112 112 ILE N N 122.385 0.044 1 1212 113 113 LEU H H 8.243 0.011 1 1213 113 113 LEU HA H 3.582 0.005 1 1214 113 113 LEU HB2 H 0.907 0.003 2 1215 113 113 LEU HB3 H 2.029 0.005 2 1216 113 113 LEU HG H 2.048 0.006 1 1217 113 113 LEU HD1 H 0.575 0.002 2 1218 113 113 LEU HD2 H 0.68 0.006 2 1219 113 113 LEU CA C 55.123 0.03 1 1220 113 113 LEU CB C 38.88 0.039 1 1221 113 113 LEU CG C 23.241 0.049 1 1222 113 113 LEU CD1 C 20.965 0.014 2 1223 113 113 LEU CD2 C 23.132 0.096 2 1224 113 113 LEU N N 119.859 0.037 1 1225 114 114 LYS H H 8.29 0.004 1 1226 114 114 LYS HA H 3.954 0.003 1 1227 114 114 LYS HB2 H 1.75 0.009 2 1228 114 114 LYS HB3 H 1.967 0.011 2 1229 114 114 LYS HG2 H 1.224 0.002 2 1230 114 114 LYS HG3 H 1.509 0.009 2 1231 114 114 LYS HD2 H 1.55 0.011 2 1232 114 114 LYS HD3 H 1.55 0.011 2 1233 114 114 LYS HE2 H 2.78 0.001 2 1234 114 114 LYS HE3 H 2.78 0.001 2 1235 114 114 LYS CA C 56.973 0.032 1 1236 114 114 LYS CB C 30.195 0.118 1 1237 114 114 LYS CG C 22.166 0.14 1 1238 114 114 LYS CD C 26.605 0 1 1239 114 114 LYS CE C 38.967 0 1 1240 114 114 LYS N N 119.094 0.054 1 1241 115 115 GLU H H 8.526 0.006 1 1242 115 115 GLU HA H 3.862 0.009 1 1243 115 115 GLU HB2 H 1.927 0.001 2 1244 115 115 GLU HB3 H 2.003 0.011 2 1245 115 115 GLU HG2 H 2.153 0.003 2 1246 115 115 GLU HG3 H 2.2 0.002 2 1247 115 115 GLU CA C 56.404 0.084 1 1248 115 115 GLU CB C 26.706 0.144 1 1249 115 115 GLU CG C 33.398 0.107 1 1250 115 115 GLU N N 121.614 0.011 1 1251 116 116 ARG H H 7.713 0.007 1 1252 116 116 ARG HA H 3.999 0.01 1 1253 116 116 ARG HB2 H 1.06 0.016 2 1254 116 116 ARG HB3 H 1.06 0.016 2 1255 116 116 ARG HG2 H 0.173 0.006 2 1256 116 116 ARG HG3 H 1.377 0.014 2 1257 116 116 ARG HD2 H 2.151 0.001 2 1258 116 116 ARG HD3 H 2.183 0.009 2 1259 116 116 ARG HE H 7.009 0.01 1 1260 116 116 ARG CA C 53.494 0.113 1 1261 116 116 ARG CB C 26.462 0.305 1 1262 116 116 ARG CG C 25.009 0.053 1 1263 116 116 ARG CD C 41.643 0.019 1 1264 116 116 ARG N N 114.024 0.031 1 1265 116 116 ARG NE N 85.225 0.041 1 1266 117 117 ASN H H 7.671 0.006 1 1267 117 117 ASN HA H 4.338 0.006 1 1268 117 117 ASN HB2 H 2.598 0.003 2 1269 117 117 ASN HB3 H 2.865 0.003 2 1270 117 117 ASN HD21 H 6.69 0.001 2 1271 117 117 ASN HD22 H 7.467 0.006 2 1272 117 117 ASN CA C 51.388 0.032 1 1273 117 117 ASN CB C 34.167 0.052 1 1274 117 117 ASN N N 114.923 0.079 1 1275 117 117 ASN ND2 N 113.363 0.003 1 1276 118 118 ILE H H 7.522 0.007 1 1277 118 118 ILE HA H 3.381 0.004 1 1278 118 118 ILE HB H 1.289 0.004 1 1279 118 118 ILE HG12 H 0.843 0.009 2 1280 118 118 ILE HG13 H 1.41 0.001 2 1281 118 118 ILE HG2 H -0.043 0.003 1 1282 118 118 ILE HD1 H 0.42 0.001 1 1283 118 118 ILE CA C 58.285 0.032 1 1284 118 118 ILE CB C 33.093 0.068 1 1285 118 118 ILE CG1 C 24.499 0.184 1 1286 118 118 ILE CG2 C 14.38 0.024 1 1287 118 118 ILE CD1 C 6.784 0.082 1 1288 118 118 ILE N N 115.951 0.024 1 1289 119 119 PHE H H 8.09 0.002 1 1290 119 119 PHE HA H 5.075 0.002 1 1291 119 119 PHE HB2 H 2.551 0.002 2 1292 119 119 PHE HB3 H 3.257 0.003 2 1293 119 119 PHE HD1 H 7.131 0.001 3 1294 119 119 PHE HD2 H 7.131 0.001 3 1295 119 119 PHE HE1 H 7.059 0.001 3 1296 119 119 PHE HE2 H 7.059 0.001 3 1297 119 119 PHE HZ H 6.944 0 1 1298 119 119 PHE CA C 51.659 0.023 1 1299 119 119 PHE CB C 39.769 0.125 1 1300 119 119 PHE CD1 C 128.728 0 3 1301 119 119 PHE CD2 C 128.721 0 3 1302 119 119 PHE CE1 C 127.827 0 3 1303 119 119 PHE CE2 C 127.803 0 3 1304 119 119 PHE CZ C 128.047 0 1 1305 119 119 PHE N N 115.15 0.035 1 1306 120 120 SER H H 8.612 0.013 1 1307 120 120 SER HA H 4.269 0.006 1 1308 120 120 SER HB2 H 4.022 0.007 2 1309 120 120 SER HB3 H 4.252 0.007 2 1310 120 120 SER CA C 54.755 0.052 1 1311 120 120 SER CB C 61.881 0.056 1 1312 120 120 SER N N 115.624 0.016 1 1313 121 121 LYS H H 8.662 0.004 1 1314 121 121 LYS HA H 3.835 0.003 1 1315 121 121 LYS HB2 H 1.698 0.004 2 1316 121 121 LYS HB3 H 1.765 0.008 2 1317 121 121 LYS HG2 H 1.382 0.001 2 1318 121 121 LYS HG3 H 1.466 0.013 2 1319 121 121 LYS HD2 H 1.796 0.004 2 1320 121 121 LYS HD3 H 1.796 0.004 2 1321 121 121 LYS HE2 H 2.902 0.007 2 1322 121 121 LYS HE3 H 2.902 0.007 2 1323 121 121 LYS CA C 56.566 0.086 1 1324 121 121 LYS CB C 29.285 0.058 1 1325 121 121 LYS CG C 22.093 0.108 1 1326 121 121 LYS CD C 26.878 0 1 1327 121 121 LYS CE C 39.558 0 1 1328 121 121 LYS N N 120.789 0.012 1 1329 122 122 GLN H H 8.27 0.003 1 1330 122 122 GLN HA H 3.874 0 1 1331 122 122 GLN HB2 H 1.836 0.008 2 1332 122 122 GLN HB3 H 2.039 0.004 2 1333 122 122 GLN HG2 H 2.283 0.011 2 1334 122 122 GLN HG3 H 2.29 0.013 2 1335 122 122 GLN HE21 H 6.788 0 2 1336 122 122 GLN HE22 H 7.657 0 2 1337 122 122 GLN CA C 56.35 0.029 1 1338 122 122 GLN CB C 25.596 0.091 1 1339 122 122 GLN CG C 30.984 0.041 1 1340 122 122 GLN N N 117.628 0.03 1 1341 122 122 GLN NE2 N 114.569 0.002 1 1342 123 123 VAL H H 7.285 0.004 1 1343 123 123 VAL HA H 3.568 0.005 1 1344 123 123 VAL HB H 2.058 0.01 1 1345 123 123 VAL HG1 H 0.438 0.003 2 1346 123 123 VAL HG2 H 0.826 0.003 2 1347 123 123 VAL CA C 63.81 0.037 1 1348 123 123 VAL CB C 29.018 0.093 1 1349 123 123 VAL CG1 C 18.717 0.013 2 1350 123 123 VAL CG2 C 20.46 0 2 1351 123 123 VAL N N 120.921 0.021 1 1352 124 124 VAL H H 8.245 0.005 1 1353 124 124 VAL HA H 3.308 0.005 1 1354 124 124 VAL HB H 2.033 0.002 1 1355 124 124 VAL HG1 H 0.819 0.002 2 1356 124 124 VAL HG2 H 0.982 0.003 2 1357 124 124 VAL CA C 65.156 0.037 1 1358 124 124 VAL CB C 28.435 0.069 1 1359 124 124 VAL CG1 C 18.921 0 2 1360 124 124 VAL CG2 C 21.341 0 2 1361 124 124 VAL N N 119.222 0.034 1 1362 125 125 ASN H H 8.217 0.008 1 1363 125 125 ASN HA H 4.346 0.004 1 1364 125 125 ASN HB2 H 2.749 0.018 2 1365 125 125 ASN HB3 H 2.807 0.005 2 1366 125 125 ASN HD21 H 6.779 0.002 2 1367 125 125 ASN HD22 H 7.511 0 2 1368 125 125 ASN CA C 53.808 0.018 1 1369 125 125 ASN CB C 35.514 0.041 1 1370 125 125 ASN N N 118.14 0.036 1 1371 125 125 ASN ND2 N 111.71 0.008 1 1372 126 126 ASP H H 8.169 0.004 1 1373 126 126 ASP HA H 4.274 0.004 1 1374 126 126 ASP HB2 H 2.406 0.01 2 1375 126 126 ASP HB3 H 2.862 0.002 2 1376 126 126 ASP CA C 54.826 0.017 1 1377 126 126 ASP CB C 36.882 0.098 1 1378 126 126 ASP N N 121.672 0.049 1 1379 127 127 ILE H H 8.822 0.004 1 1380 127 127 ILE HA H 3.315 0.003 1 1381 127 127 ILE HB H 1.974 0.006 1 1382 127 127 ILE HG12 H 0.354 0.005 2 1383 127 127 ILE HG13 H 1.909 0.002 2 1384 127 127 ILE HG2 H 0.707 0.003 1 1385 127 127 ILE HD1 H 0.497 0.006 1 1386 127 127 ILE CA C 63.693 0.033 1 1387 127 127 ILE CB C 35.462 0.056 1 1388 127 127 ILE CG1 C 25.468 0.014 1 1389 127 127 ILE CG2 C 15.459 0.03 1 1390 127 127 ILE CD1 C 11.449 0.015 1 1391 127 127 ILE N N 123.159 0.018 1 1392 128 128 GLU H H 8.633 0.005 1 1393 128 128 GLU HA H 3.718 0.003 1 1394 128 128 GLU HB2 H 1.863 0.005 2 1395 128 128 GLU HB3 H 2.119 0.006 2 1396 128 128 GLU HG2 H 1.947 0.003 2 1397 128 128 GLU HG3 H 2.476 0.004 2 1398 128 128 GLU CA C 57.963 0.048 1 1399 128 128 GLU CB C 26.47 0 1 1400 128 128 GLU CG C 34.655 0.04 1 1401 128 128 GLU N N 118.481 0.011 1 1402 129 129 ARG H H 8.269 0.004 1 1403 129 129 ARG HA H 3.962 0.005 1 1404 129 129 ARG HB2 H 1.816 0.001 2 1405 129 129 ARG HB3 H 1.855 0.019 2 1406 129 129 ARG HG2 H 1.516 0.004 2 1407 129 129 ARG HG3 H 1.683 0.003 2 1408 129 129 ARG HD2 H 3.107 0.003 2 1409 129 129 ARG HD3 H 3.107 0.003 2 1410 129 129 ARG CA C 56.625 0.104 1 1411 129 129 ARG CB C 27.247 0.039 1 1412 129 129 ARG CG C 24.753 0.111 1 1413 129 129 ARG CD C 40.465 0.021 1 1414 129 129 ARG N N 119.524 0.035 1 1415 130 130 SER H H 7.913 0.006 1 1416 130 130 SER HA H 4.14 0.005 1 1417 130 130 SER HB2 H 3.831 0.027 2 1418 130 130 SER HB3 H 3.895 0.04 2 1419 130 130 SER CA C 58.745 0.184 1 1420 130 130 SER CB C 60.369 0.027 1 1421 130 130 SER N N 116.357 0.022 1 1422 131 131 LEU H H 8.096 0.005 1 1423 131 131 LEU HA H 4.048 0.006 1 1424 131 131 LEU HB2 H 1.397 0.022 2 1425 131 131 LEU HB3 H 1.71 0.009 2 1426 131 131 LEU HG H 1.744 0.004 1 1427 131 131 LEU HD1 H 0.554 0.006 2 1428 131 131 LEU HD2 H 0.698 0.001 2 1429 131 131 LEU CA C 54.277 0.126 1 1430 131 131 LEU CB C 38.611 0.13 1 1431 131 131 LEU CG C 24.224 0 1 1432 131 131 LEU CD1 C 20.737 0.063 2 1433 131 131 LEU N N 120.999 0.041 1 1434 132 132 ALA H H 7.397 0.004 1 1435 132 132 ALA HA H 4.076 0.003 1 1436 132 132 ALA HB H 1.338 0.006 1 1437 132 132 ALA CA C 50.645 0.023 1 1438 132 132 ALA CB C 15.776 0.058 1 1439 132 132 ALA N N 120.522 0.011 1 1440 133 133 ALA H H 7.553 0.003 1 1441 133 133 ALA HA H 4.078 0.007 1 1442 133 133 ALA HB H 1.316 0.001 1 1443 133 133 ALA CA C 50.638 0.027 1 1444 133 133 ALA CB C 15.934 0.036 1 1445 133 133 ALA N N 121.076 0.023 1 1446 134 134 ALA H H 7.668 0.008 1 1447 134 134 ALA HA H 4.121 0.024 1 1448 134 134 ALA HB H 1.303 0.003 1 1449 134 134 ALA CA C 50.044 0.036 1 1450 134 134 ALA CB C 16.23 0.056 1 1451 134 134 ALA N N 120.785 0.029 1 1452 135 135 LEU H H 7.755 0.012 1 1453 135 135 LEU HA H 4.145 0.004 1 1454 135 135 LEU HB2 H 1.429 0.007 2 1455 135 135 LEU HB3 H 1.538 0.007 2 1456 135 135 LEU HG H 1.534 0 1 1457 135 135 LEU HD1 H 0.727 0.008 2 1458 135 135 LEU HD2 H 0.794 0.001 2 1459 135 135 LEU CA C 52.459 0.02 1 1460 135 135 LEU CB C 39.415 0 1 1461 135 135 LEU CG C 24.099 0 1 1462 135 135 LEU CD1 C 20.533 0 2 1463 135 135 LEU CD2 C 22.213 0 2 1464 135 135 LEU N N 119.716 0.1 1 1465 136 136 GLU H H 7.978 0.016 1 1466 136 136 GLU HA H 4.061 0.004 1 1467 136 136 GLU HB2 H 1.745 0 2 1468 136 136 GLU HB3 H 1.801 0.01 2 1469 136 136 GLU HG2 H 2.01 0.006 2 1470 136 136 GLU HG3 H 2.111 0.02 2 1471 136 136 GLU CA C 53.803 0.049 1 1472 136 136 GLU CB C 27.501 0.004 1 1473 136 136 GLU CG C 33.372 0 1 1474 136 136 GLU N N 120.59 0.01 1 1475 137 137 HIS H H 8.162 0.013 1 1476 137 137 HIS CA C 53.073 0.027 1 1477 137 137 HIS CB C 27.126 0 1 1478 137 137 HIS N N 119.549 0.04 1 1479 138 138 HIS H H 8.067 0.025 1 1480 138 138 HIS CA C 54.508 0 1 1481 138 138 HIS N N 125.309 0.036 1 stop_ save_