data_15507 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Chemical Shift Assignments for Legionella pneumophila Mip bound to rapamycin ; _BMRB_accession_number 15507 _BMRB_flat_file_name bmr15507.str _Entry_type new _Submission_date 2007-10-04 _Accession_date 2007-10-04 _Entry_origination author _NMR_STAR_version 2.1.1 _Experimental_method NMR _Details 'Chemical Shift Assignments for the Legionella pneumophila Mip protein from the Mip-rapamycin complex in solution' loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Ceymann Andreas . . 2 Horstmann Martin . . 3 Ehses Philipp . . 4 Schweimer Kristian . . 5 Faber Cornelius . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 734 "13C chemical shifts" 581 "15N chemical shifts" 137 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2008-06-26 original author . stop_ loop_ _Related_BMRB_accession_number _Relationship 7021 'NMR data for free protein' stop_ save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_title 'Solution structure of the Legionella pneumophila Mip-rapamycin complex' _Citation_status published _Citation_type journal _PubMed_ID 18366641 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Ceymann Andreas . . 2 Horstmann Martin . . 3 Ehses Philipp . . 4 Schweimer Kristian . . 5 Paschke Anne-Katrin . . 6 Steinert Michael . . 7 Faber Cornelius . . stop_ _Journal_abbreviation 'BMC Struct. Biol.' _Journal_volume 8 _Journal_issue 17 _Page_first . _Page_last . _Year 2008 save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name 'Mip-rapamycin complex' _Enzyme_commission_number 5.2.1.8 loop_ _Mol_system_component_name _Mol_label Mip $Mip_protein Rapamycin $RAP stop_ _System_physical_state native _System_oligomer_state ? _System_paramagnetic no _Details 'Complex of Mip with the PPIase inhibitor rapamycin' save_ ######################## # Monomeric polymers # ######################## save_Mip_protein _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common Mip_protein _Molecular_mass 14650.7 _Mol_thiol_state 'not present' loop_ _Biological_function PPIase Rotamase stop_ _Details 'Live long and prosper!' ############################## # Polymer residue sequence # ############################## _Residue_count 137 _Mol_residue_sequence ; FNKKADENKVKGEAFLTENK NKPGVVVLPSGLQYKVINSG NGVKPGKSDTVTVEYTGRLI DGTVFDSTEKTGKPATFQVS QVIPGWTEALQLMPAGSTWE IYVPSGLAYGPRSVGGPIGP NETLIFKIHLISVKKSS ; loop_ _Residue_seq_code _Residue_label 1 PHE 2 ASN 3 LYS 4 LYS 5 ALA 6 ASP 7 GLU 8 ASN 9 LYS 10 VAL 11 LYS 12 GLY 13 GLU 14 ALA 15 PHE 16 LEU 17 THR 18 GLU 19 ASN 20 LYS 21 ASN 22 LYS 23 PRO 24 GLY 25 VAL 26 VAL 27 VAL 28 LEU 29 PRO 30 SER 31 GLY 32 LEU 33 GLN 34 TYR 35 LYS 36 VAL 37 ILE 38 ASN 39 SER 40 GLY 41 ASN 42 GLY 43 VAL 44 LYS 45 PRO 46 GLY 47 LYS 48 SER 49 ASP 50 THR 51 VAL 52 THR 53 VAL 54 GLU 55 TYR 56 THR 57 GLY 58 ARG 59 LEU 60 ILE 61 ASP 62 GLY 63 THR 64 VAL 65 PHE 66 ASP 67 SER 68 THR 69 GLU 70 LYS 71 THR 72 GLY 73 LYS 74 PRO 75 ALA 76 THR 77 PHE 78 GLN 79 VAL 80 SER 81 GLN 82 VAL 83 ILE 84 PRO 85 GLY 86 TRP 87 THR 88 GLU 89 ALA 90 LEU 91 GLN 92 LEU 93 MET 94 PRO 95 ALA 96 GLY 97 SER 98 THR 99 TRP 100 GLU 101 ILE 102 TYR 103 VAL 104 PRO 105 SER 106 GLY 107 LEU 108 ALA 109 TYR 110 GLY 111 PRO 112 ARG 113 SER 114 VAL 115 GLY 116 GLY 117 PRO 118 ILE 119 GLY 120 PRO 121 ASN 122 GLU 123 THR 124 LEU 125 ILE 126 PHE 127 LYS 128 ILE 129 HIS 130 LEU 131 ILE 132 SER 133 VAL 134 LYS 135 LYS 136 SER 137 SER stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2015-04-25 loop_ _Database_name _Database_accession_code _Database_entry_mol_name _Sequence_query_to_submitted_percentage _Sequence_subject_length _Sequence_identity _Sequence_positive _Sequence_homology_expectation_value PDB 1FD9 "Crystal Structure Of The Macrophage Infectivity Potentiator Protein (Mip) A Major Virulence Factor From Legionella Pneumophila" 100.00 213 100.00 100.00 7.38e-93 PDB 2UZ5 "Solution Structure Of The Fkbp-Domain Of Legionella Pneumophila Mip" 100.00 137 100.00 100.00 8.07e-92 PDB 2VCD "Solution Structure Of The Fkbp-domain Of Legionella Pneumophila Mip In Complex With Rapamycin" 100.00 137 100.00 100.00 8.07e-92 DBJ BAE48749 "macrophage infectivity potentiator [Legionella pneumophila]" 55.47 133 100.00 100.00 1.24e-44 DBJ GAN16811 "outer membrane protein MIP precursor [Legionella pneumophila]" 100.00 233 99.27 100.00 4.60e-93 DBJ GAN19917 "outer membrane protein MIP precursor [Legionella pneumophila]" 100.00 233 99.27 100.00 4.60e-93 DBJ GAN22931 "outer membrane protein MIP precursor [Legionella pneumophila]" 100.00 233 99.27 99.27 1.92e-92 DBJ GAN25926 "outer membrane protein MIP precursor [Legionella pneumophila]" 100.00 233 100.00 100.00 1.71e-93 EMBL CAD42883 "macrophage infectivity potentiator [Legionella pneumophila serogroup 1]" 100.00 233 100.00 100.00 1.71e-93 EMBL CAD42884 "macrophage infectivity potentiator [Legionella pneumophila serogroup 6]" 100.00 233 99.27 100.00 4.60e-93 EMBL CAD42885 "macrophage infectivity potentiator [Legionella pneumophila serogroup 8]" 100.00 233 100.00 100.00 1.71e-93 EMBL CAD42887 "macrophage infectivity potentiator [Legionella pneumophila serogroup 1]" 100.00 233 100.00 100.00 1.45e-93 EMBL CAD42888 "macrophage infectivity potentiator [Legionella pneumophila serogroup 6]" 100.00 233 99.27 100.00 4.60e-93 GB AAB03461 "Mip [Legionella fairfieldensis]" 86.86 210 99.16 99.16 5.96e-79 GB AAB03462 "Mip [Legionella worsleiensis]" 86.86 210 98.32 99.16 1.24e-78 GB AAB22717 "macrophage infectivity potentiator [Legionella pneumophila]" 100.00 233 100.00 100.00 1.71e-93 GB AAB31083 "peptidyl-prolyl cis/trans isomerase, partial [Legionella pneumophila]" 100.00 233 99.27 100.00 4.60e-93 GB AAB81364 "macrophage infectivity potentiator protein, partial [Legionella pneumophila serogroup 2]" 81.75 202 99.11 100.00 2.68e-74 PRF 2014249A "macrophage infectivity potentiator" 100.00 233 100.00 100.00 1.71e-93 REF WP_010946528 "membrane protein [Legionella pneumophila]" 100.00 235 100.00 100.00 2.34e-93 REF WP_011213317 "outer membrane protein MIP [Legionella pneumophila]" 100.00 233 100.00 100.00 1.71e-93 REF WP_011214989 "outer membrane protein MIP [Legionella pneumophila]" 100.00 233 99.27 100.00 4.60e-93 REF WP_027221154 "membrane protein [Legionella pneumophila]" 100.00 233 98.54 100.00 9.97e-93 REF WP_040184983 "outer membrane protein MIP [Legionella pneumophila]" 100.00 233 100.00 100.00 1.72e-93 SP A5IGB8 "RecName: Full=Outer membrane protein MIP; AltName: Full=Macrophage infectivity potentiator; AltName: Full=Peptidyl-prolyl cis-t" 100.00 233 99.27 100.00 4.60e-93 SP Q5ZXE0 "RecName: Full=Outer membrane protein MIP; AltName: Full=Macrophage infectivity potentiator; AltName: Full=Peptidyl-prolyl cis-t" 100.00 233 100.00 100.00 1.71e-93 SP Q70YI1 "RecName: Full=Outer membrane protein MIP; AltName: Full=Macrophage infectivity potentiator; AltName: Full=Peptidyl-prolyl cis-t" 100.00 233 99.27 100.00 4.60e-93 stop_ save_ ############# # Ligands # ############# save_RAP _Saveframe_category ligand _Mol_type non-polymer _Name_common "RAP (RAPAMYCIN IMMUNOSUPPRESSANT DRUG)" _PDB_code RAP _Mol_empirical_formula 'C51 H79 N O13' _Molecular_mass 914.172 _Mol_charge 0 _Mol_paramagnetic . _Mol_aromatic no _Details ; Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Tue Aug 21 01:57:19 2007 ; loop_ _Atom_name _PDB_atom_name _Atom_type _Atom_chirality _Atom_charge _Atom_oxidation_number _Atom_unpaired_electrons C1 C1 C N 0 . ? O1 O1 O N 0 . ? O2 O2 O N 0 . ? C2 C2 C S 0 . ? C3 C3 C N 0 . ? C4 C4 C N 0 . ? C5 C5 C N 0 . ? C6 C6 C N 0 . ? N7 N7 N N 0 . ? C8 C8 C N 0 . ? O3 O3 O N 0 . ? C9 C9 C N 0 . ? O4 O4 O N 0 . ? C10 C10 C R 0 . ? O5 O5 O N 0 . ? O6 O6 O N 0 . ? C11 C11 C R 0 . ? C12 C12 C N 0 . ? C13 C13 C N 0 . ? C14 C14 C S 0 . ? C15 C15 C N 0 . ? C16 C16 C S 0 . ? O7 O7 O N 0 . ? C17 C17 C N 0 . ? C18 C18 C N 0 . ? C19 C19 C N 0 . ? C20 C20 C N 0 . ? C21 C21 C N 0 . ? C22 C22 C N 0 . ? C23 C23 C S 0 . ? C24 C24 C N 0 . ? C25 C25 C R 0 . ? C26 C26 C N 0 . ? O8 O8 O N 0 . ? C27 C27 C R 0 . ? O9 O9 O N 0 . ? C28 C28 C R 0 . ? O10 O10 O N 0 . ? C29 C29 C N 0 . ? C30 C30 C N 0 . ? C31 C31 C R 0 . ? C32 C32 C N 0 . ? O11 O11 O N 0 . ? C33 C33 C N 0 . ? C34 C34 C S 0 . ? C35 C35 C R 0 . ? C36 C36 C N 0 . ? C37 C37 C S 0 . ? C38 C38 C N 0 . ? C39 C39 C R 0 . ? O12 O12 O N 0 . ? C40 C40 C R 0 . ? O13 O13 O N 0 . ? C41 C41 C N 0 . ? C42 C42 C N 0 . ? C43 C43 C N 0 . ? C44 C44 C N 0 . ? C45 C45 C N 0 . ? C46 C46 C N 0 . ? C47 C47 C N 0 . ? C48 C48 C N 0 . ? C49 C49 C N 0 . ? C50 C50 C N 0 . ? C51 C51 C N 0 . ? C52 C52 C N 0 . ? H2 H2 H N 0 . ? H31A H31A H N 0 . ? H32 H32 H N 0 . ? H41 H41 H N 0 . ? H42 H42 H N 0 . ? H51 H51 H N 0 . ? H52 H52 H N 0 . ? H61 H61 H N 0 . ? H62 H62 H N 0 . ? HO6 HO6 H N 0 . ? H11 H11 H N 0 . ? H121 H121 H N 0 . ? H122 H122 H N 0 . ? H131 H131 H N 0 . ? H132 H132 H N 0 . ? H14 H14 H N 0 . ? H151 H151 H N 0 . ? H152 H152 H N 0 . ? H16 H16 H N 0 . ? H18 H18 H N 0 . ? H19 H19 H N 0 . ? H20 H20 H N 0 . ? H21 H21 H N 0 . ? H22 H22 H N 0 . ? H23 H23 H N 0 . ? H241 H241 H N 0 . ? H242 H242 H N 0 . ? H25 H25 H N 0 . ? H27 H27 H N 0 . ? H28 H28 H N 0 . ? HO1 HO1 H N 0 . ? H30 H30 H N 0 . ? H31 H31 H N 0 . ? H331 H331 H N 0 . ? H332 H332 H N 0 . ? H34 H34 H N 0 . ? H35 H35 H N 0 . ? H361 H361 H N 0 . ? H362 H362 H N 0 . ? H37 H37 H N 0 . ? H381 H381 H N 0 . ? H382 H382 H N 0 . ? H39 H39 H N 0 . ? H40 H40 H N 0 . ? HO3 HO3 H N 0 . ? H411 H411 H N 0 . ? H412 H412 H N 0 . ? H421 H421 H N 0 . ? H422 H422 H N 0 . ? H431 H431 H N 0 . ? H432 H432 H N 0 . ? H433 H433 H N 0 . ? H441 H441 H N 0 . ? H442 H442 H N 0 . ? H443 H443 H N 0 . ? H451 H451 H N 0 . ? H452 H452 H N 0 . ? H453 H453 H N 0 . ? H461 H461 H N 0 . ? H462 H462 H N 0 . ? H463 H463 H N 0 . ? H471 H471 H N 0 . ? H472 H472 H N 0 . ? H473 H473 H N 0 . ? H481 H481 H N 0 . ? H482 H482 H N 0 . ? H483 H483 H N 0 . ? H491 H491 H N 0 . ? H492 H492 H N 0 . ? H493 H493 H N 0 . ? H501 H501 H N 0 . ? H502 H502 H N 0 . ? H503 H503 H N 0 . ? H511 H511 H N 0 . ? H512 H512 H N 0 . ? H513 H513 H N 0 . ? H521 H521 H N 0 . ? H522 H522 H N 0 . ? H523 H523 H N 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 C1 O1 C1 O1 DOUB C1 O2 C1 O2 SING C1 C2 C1 C2 SING O1 C34 O1 C34 SING C2 C3 C2 C3 SING C2 N7 C2 N7 SING C2 H2 C2 H2 SING C3 C4 C3 C4 SING C3 H31A C3 H31A SING C3 H32 C3 H32 SING C4 C5 C4 C5 SING C4 H41 C4 H41 SING C4 H42 C4 H42 SING C5 C6 C5 C6 SING C5 H51 C5 H51 SING C5 H52 C5 H52 SING C6 N7 C6 N7 SING C6 H61 C6 H61 SING C6 H62 C6 H62 SING N7 C8 N7 C8 DOUB C8 O3 C8 O3 SING C8 C9 C8 C9 DOUB C9 O4 C9 O4 SING C9 C10 C9 C10 SING C10 O5 C10 O5 SING C10 O6 C10 O6 SING C10 C11 C10 C11 SING O5 C14 O5 C14 SING O6 HO6 O6 HO6 SING C11 C12 C11 C12 SING C11 C43 C11 C43 SING C11 H11 C11 H11 SING C12 C13 C12 C13 SING C12 H121 C12 H121 SING C12 H122 C12 H122 SING C13 C14 C13 C14 SING C13 H131 C13 H131 SING C13 H132 C13 H132 SING C14 C15 C14 C15 SING C14 H14 C14 H14 SING C15 C16 C15 C16 SING C15 H151 C15 H151 SING C15 H152 C15 H152 SING C16 O7 C16 O7 SING C16 C17 C16 C17 SING C16 H16 C16 H16 SING O7 C50 O7 C50 DOUB C17 C18 C17 C18 SING C17 C44 C17 C44 SING C18 C19 C18 C19 SING C18 H18 C18 H18 DOUB C19 C20 C19 C20 SING C19 H19 C19 H19 SING C20 C21 C20 C21 SING C20 H20 C20 H20 DOUB C21 C22 C21 C22 SING C21 H21 C21 H21 SING C22 C23 C22 C23 SING C22 H22 C22 H22 SING C23 C24 C23 C24 SING C23 C45 C23 C45 SING C23 H23 C23 H23 SING C24 C25 C24 C25 SING C24 H241 C24 H241 SING C24 H242 C24 H242 SING C25 C26 C25 C26 SING C25 C46 C25 C46 SING C25 H25 C25 H25 DOUB C26 O8 C26 O8 SING C26 C27 C26 C27 SING C27 O9 C27 O9 SING C27 C28 C27 C28 SING C27 H27 C27 H27 SING O9 C51 O9 C51 SING C28 O10 C28 O10 SING C28 C29 C28 C29 SING C28 H28 C28 H28 SING O10 HO1 O10 HO1 DOUB C29 C30 C29 C30 SING C29 C47 C29 C47 SING C30 C31 C30 C31 SING C30 H30 C30 H30 SING C31 C32 C31 C32 SING C31 C48 C31 C48 SING C31 H31 C31 H31 DOUB C32 O11 C32 O11 SING C32 C33 C32 C33 SING C33 C34 C33 C34 SING C33 H331 C33 H331 SING C33 H332 C33 H332 SING C34 C35 C34 C35 SING C34 H34 C34 H34 SING C35 C36 C35 C36 SING C35 C49 C35 C49 SING C35 H35 C35 H35 SING C36 C37 C36 C37 SING C36 H361 C36 H361 SING C36 H362 C36 H362 SING C37 C38 C37 C38 SING C37 C42 C37 C42 SING C37 H37 C37 H37 SING C38 C39 C38 C39 SING C38 H381 C38 H381 SING C38 H382 C38 H382 SING C39 O12 C39 O12 SING C39 C40 C39 C40 SING C39 H39 C39 H39 SING O12 C52 O12 C52 SING C40 O13 C40 O13 SING C40 C41 C40 C41 SING C40 H40 C40 H40 SING O13 HO3 O13 HO3 SING C41 C42 C41 C42 SING C41 H411 C41 H411 SING C41 H412 C41 H412 SING C42 H421 C42 H421 SING C42 H422 C42 H422 SING C43 H431 C43 H431 SING C43 H432 C43 H432 SING C43 H433 C43 H433 SING C44 H441 C44 H441 SING C44 H442 C44 H442 SING C44 H443 C44 H443 SING C45 H451 C45 H451 SING C45 H452 C45 H452 SING C45 H453 C45 H453 SING C46 H461 C46 H461 SING C46 H462 C46 H462 SING C46 H463 C46 H463 SING C47 H471 C47 H471 SING C47 H472 C47 H472 SING C47 H473 C47 H473 SING C48 H481 C48 H481 SING C48 H482 C48 H482 SING C48 H483 C48 H483 SING C49 H491 C49 H491 SING C49 H492 C49 H492 SING C49 H493 C49 H493 SING C50 H501 C50 H501 SING C50 H502 C50 H502 SING C50 H503 C50 H503 SING C51 H511 C51 H511 SING C51 H512 C51 H512 SING C51 H513 C51 H513 SING C52 H521 C52 H521 SING C52 H522 C52 H522 SING C52 H523 C52 H523 stop_ _Mol_thiol_state . save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species _Details $Mip_protein 'Legionella pneumophila' 446 Bacteria . Legionella pneumophila 'Surface protein' $RAP 'Streptomyces hygroscopicus' 1912 Bacteria . Streptomyces hygroscopicus 'Immunosuppressant drug' 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 $Mip_protein 'recombinant technology' . . . . 'vector pBC KS(+)' $RAP 'obtained from a vendor' . . . . . stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_complex _Saveframe_category sample _Sample_type solution _Details '1:1 complex of rapamycin and Mip77-213 dissolved in 20 mM potassium phosphate buffer' loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $Mip_protein 2 mM '[U-98% 13C; U-98% 15N]' $RAP 2 mM 'natural abundance' stop_ save_ ############################ # Computer software used # ############################ save_NMRView _Saveframe_category software _Name NMRView loop_ _Vendor _Address _Electronic_address 'Johnson, One Moon Scientific' . . stop_ loop_ _Task 'data analysis' stop_ save_ save_NMRPipe _Saveframe_category software _Name NMRPipe loop_ _Vendor _Address _Electronic_address 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . stop_ loop_ _Task processing stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _Field_strength 700 _Details CryoProbe save_ save_spectrometer_2 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _Field_strength 800 save_ save_spectrometer_3 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _Field_strength 700 save_ save_spectrometer_4 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _Field_strength 600 save_ ############################# # NMR applied experiments # ############################# save_3D_HNCO_1 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCO' _Sample_label $complex save_ save_3D_HNCA_2 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCA' _Sample_label $complex save_ save_3D_HNCACB_3 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCACB' _Sample_label $complex save_ save_3D_CBCA(CO)NH_4 _Saveframe_category NMR_applied_experiment _Experiment_name '3D CBCA(CO)NH' _Sample_label $complex save_ save_3D_HNHA_5 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNHA' _Sample_label $complex save_ save_3D_HBHA(CO)NH_6 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HBHA(CO)NH' _Sample_label $complex save_ save_3D_C(CO)NH_7 _Saveframe_category NMR_applied_experiment _Experiment_name '3D C(CO)NH' _Sample_label $complex save_ save_3D_HCCH-TOCSY_8 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HCCH-TOCSY' _Sample_label $complex save_ save_2D_1H-15N_HSQC_9 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N HSQC' _Sample_label $complex save_ save_3D_1H-15N_NOESY_10 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-15N NOESY' _Sample_label $complex save_ save_2D_1H-13C_HSQC_11 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-13C HSQC' _Sample_label $complex save_ save_3D_1H-13C_NOESY_12 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-13C NOESY' _Sample_label $complex save_ ####################### # Sample conditions # ####################### save_complex_conditions _Saveframe_category sample_conditions loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units temperature 298 . K pH 6.5 . pH pressure 1 . atm stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference _Saveframe_category chemical_shift_reference loop_ _Mol_common_name _Atom_type _Atom_isotope_number _Atom_group _Chem_shift_units _Chem_shift_value _Reference_method _Reference_type _External_reference_sample_geometry _External_reference_location _External_reference_axis _Indirect_shift_ratio DSS H 1 'methyl protons' ppm 0.00 internal direct ? ? ? 1.000000000 DSS C 13 'methyl protons' ppm 0.00 n/a indirect ? ? ? 0.251449530 DSS N 15 'methyl protons' ppm 0.00 n/a indirect ? ? ? 0.101329118 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chem_shift_list _Saveframe_category assigned_chemical_shifts loop_ _Experiment_label '3D HNCO' '3D HNCA' '3D HNCACB' '3D CBCA(CO)NH' '3D HNHA' '3D HBHA(CO)NH' '3D C(CO)NH' '3D HCCH-TOCSY' '2D 1H-15N HSQC' '3D 1H-15N NOESY' '2D 1H-13C HSQC' '3D 1H-13C NOESY' stop_ loop_ _Sample_label $complex stop_ _Sample_conditions_label $complex_conditions _Chem_shift_reference_set_label $chemical_shift_reference _Mol_system_component_name Mip 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 ASN HA H 4.833 . 1 2 2 2 ASN HB2 H 2.802 . 2 3 2 2 ASN HB3 H 2.958 . 2 4 2 2 ASN C C 174.911 . 1 5 2 2 ASN CA C 52.823 . 1 6 2 2 ASN CB C 38.716 . 1 7 3 3 LYS H H 8.690 . 1 8 3 3 LYS HA H 4.413 . 1 9 3 3 LYS HB2 H 1.760 . 2 10 3 3 LYS HB3 H 1.883 . 2 11 3 3 LYS HD2 H 1.716 . 2 12 3 3 LYS HE2 H 2.983 . 2 13 3 3 LYS HE3 H 3.095 . 2 14 3 3 LYS HG2 H 1.525 . 2 15 3 3 LYS C C 177.361 . 1 16 3 3 LYS CA C 57.520 . 1 17 3 3 LYS CB C 32.940 . 1 18 3 3 LYS CD C 29.184 . 1 19 3 3 LYS CE C 42.118 . 1 20 3 3 LYS CG C 24.910 . 1 21 3 3 LYS N N 123.863 . 1 22 4 4 LYS H H 8.421 . 1 23 4 4 LYS HA H 4.300 . 1 24 4 4 LYS HB2 H 1.819 . 2 25 4 4 LYS HB3 H 1.900 . 2 26 4 4 LYS HD2 H 1.724 . 2 27 4 4 LYS HE2 H 3.035 . 2 28 4 4 LYS HG2 H 1.466 . 2 29 4 4 LYS HG3 H 1.526 . 2 30 4 4 LYS C C 177.675 . 1 31 4 4 LYS CA C 57.770 . 1 32 4 4 LYS CB C 32.090 . 1 33 4 4 LYS CD C 28.474 . 1 34 4 4 LYS CE C 42.045 . 1 35 4 4 LYS CG C 24.580 . 1 36 4 4 LYS N N 121.631 . 1 37 5 5 ALA H H 8.275 . 1 38 5 5 ALA HA H 3.932 . 1 39 5 5 ALA HB H 1.429 . 1 40 5 5 ALA C C 179.874 . 1 41 5 5 ALA CA C 55.280 . 1 42 5 5 ALA CB C 18.440 . 1 43 5 5 ALA N N 121.762 . 1 44 6 6 ASP H H 8.000 . 1 45 6 6 ASP HA H 4.499 . 1 46 6 6 ASP HB2 H 2.772 . 2 47 6 6 ASP HB3 H 2.772 . 2 48 6 6 ASP C C 178.221 . 1 49 6 6 ASP CA C 56.650 . 1 50 6 6 ASP CB C 40.300 . 1 51 6 6 ASP N N 118.832 . 1 52 7 7 GLU H H 8.148 . 1 53 7 7 GLU HA H 4.112 . 1 54 7 7 GLU HB2 H 2.091 . 2 55 7 7 GLU HB3 H 2.171 . 2 56 7 7 GLU HG2 H 2.280 . 2 57 7 7 GLU HG3 H 2.449 . 2 58 7 7 GLU C C 178.866 . 1 59 7 7 GLU CA C 59.010 . 1 60 7 7 GLU CB C 29.940 . 1 61 7 7 GLU CG C 36.425 . 1 62 7 7 GLU N N 121.345 . 1 63 8 8 ASN H H 8.572 . 1 64 8 8 ASN HA H 4.556 . 1 65 8 8 ASN HB2 H 2.873 . 2 66 8 8 ASN HB3 H 3.042 . 2 67 8 8 ASN HD21 H 7.953 . 2 68 8 8 ASN HD22 H 7.097 . 2 69 8 8 ASN C C 178.843 . 1 70 8 8 ASN CA C 55.320 . 1 71 8 8 ASN CB C 37.210 . 1 72 8 8 ASN CG C 176.544 . 1 73 8 8 ASN N N 118.568 . 1 74 8 8 ASN ND2 N 109.952 . 1 75 9 9 LYS H H 7.772 . 1 76 9 9 LYS HA H 4.349 . 1 77 9 9 LYS HB2 H 1.938 . 2 78 9 9 LYS HB3 H 2.228 . 2 79 9 9 LYS HD2 H 1.712 . 2 80 9 9 LYS HE2 H 3.015 . 2 81 9 9 LYS HG2 H 1.456 . 2 82 9 9 LYS HG3 H 1.528 . 2 83 9 9 LYS C C 178.531 . 1 84 9 9 LYS CA C 59.650 . 1 85 9 9 LYS CB C 32.960 . 1 86 9 9 LYS CD C 29.518 . 1 87 9 9 LYS CE C 41.903 . 1 88 9 9 LYS CG C 24.634 . 1 89 9 9 LYS N N 121.781 . 1 90 10 10 VAL H H 7.760 . 1 91 10 10 VAL HA H 3.901 . 1 92 10 10 VAL HB H 2.231 . 1 93 10 10 VAL HG1 H 1.067 . 2 94 10 10 VAL HG2 H 1.167 . 2 95 10 10 VAL C C 179.319 . 1 96 10 10 VAL CA C 66.030 . 1 97 10 10 VAL CB C 32.060 . 1 98 10 10 VAL CG1 C 20.966 . 1 99 10 10 VAL CG2 C 22.078 . 1 100 10 10 VAL N N 118.607 . 1 101 11 11 LYS H H 8.513 . 1 102 11 11 LYS HA H 4.219 . 1 103 11 11 LYS HB2 H 1.933 . 2 104 11 11 LYS HB3 H 2.027 . 2 105 11 11 LYS HD2 H 1.565 . 2 106 11 11 LYS HD3 H 1.773 . 2 107 11 11 LYS HE2 H 3.039 . 2 108 11 11 LYS HG2 H 1.810 . 2 109 11 11 LYS C C 180.390 . 1 110 11 11 LYS CA C 59.680 . 1 111 11 11 LYS CB C 32.600 . 1 112 11 11 LYS CD C 25.568 . 1 113 11 11 LYS CE C 41.925 . 1 114 11 11 LYS N N 120.739 . 1 115 12 12 GLY H H 8.414 . 1 116 12 12 GLY HA2 H 3.977 . 2 117 12 12 GLY HA3 H 4.402 . 2 118 12 12 GLY C C 175.802 . 1 119 12 12 GLY CA C 48.020 . 1 120 12 12 GLY N N 109.365 . 1 121 13 13 GLU H H 8.185 . 1 122 13 13 GLU HA H 4.179 . 1 123 13 13 GLU HB2 H 2.124 . 2 124 13 13 GLU HB3 H 2.216 . 2 125 13 13 GLU HG2 H 2.379 . 2 126 13 13 GLU HG3 H 2.588 . 2 127 13 13 GLU C C 179.797 . 1 128 13 13 GLU CA C 59.660 . 1 129 13 13 GLU CB C 29.040 . 1 130 13 13 GLU CG C 36.777 . 1 131 13 13 GLU N N 120.915 . 1 132 14 14 ALA H H 8.338 . 1 133 14 14 ALA HA H 4.223 . 1 134 14 14 ALA HB H 1.609 . 1 135 14 14 ALA C C 180.402 . 1 136 14 14 ALA CA C 55.310 . 1 137 14 14 ALA CB C 17.800 . 1 138 14 14 ALA N N 123.152 . 1 139 15 15 PHE H H 8.110 . 1 140 15 15 PHE HA H 4.244 . 1 141 15 15 PHE HB2 H 3.416 . 2 142 15 15 PHE HD1 H 7.223 . 3 143 15 15 PHE HE1 H 7.201 . 3 144 15 15 PHE HZ H 6.811 . 1 145 15 15 PHE C C 174.677 . 1 146 15 15 PHE CA C 61.630 . 1 147 15 15 PHE CB C 39.340 . 1 148 15 15 PHE CD1 C 132.223 . 3 149 15 15 PHE CE1 C 130.376 . 3 150 15 15 PHE CZ C 129.490 . 1 151 15 15 PHE N N 119.571 . 1 152 16 16 LEU H H 8.476 . 1 153 16 16 LEU HA H 3.781 . 1 154 16 16 LEU HB2 H 1.564 . 2 155 16 16 LEU HB3 H 2.067 . 2 156 16 16 LEU HD1 H 1.049 . 2 157 16 16 LEU HD2 H 0.867 . 2 158 16 16 LEU HG H 2.155 . 1 159 16 16 LEU C C 179.622 . 1 160 16 16 LEU CA C 57.990 . 1 161 16 16 LEU CB C 40.660 . 1 162 16 16 LEU CD1 C 26.739 . 1 163 16 16 LEU CD2 C 21.711 . 1 164 16 16 LEU CG C 27.653 . 1 165 16 16 LEU N N 121.137 . 1 166 17 17 THR H H 8.293 . 1 167 17 17 THR HA H 4.309 . 1 168 17 17 THR HB H 4.309 . 1 169 17 17 THR HG2 H 1.238 . 1 170 17 17 THR C C 175.528 . 1 171 17 17 THR CA C 66.900 . 1 172 17 17 THR CB C 68.580 . 1 173 17 17 THR CG2 C 21.465 . 1 174 17 17 THR N N 117.438 . 1 175 18 18 GLU H H 7.520 . 1 176 18 18 GLU HA H 4.061 . 1 177 18 18 GLU HB2 H 1.930 . 2 178 18 18 GLU HB3 H 1.999 . 2 179 18 18 GLU HG2 H 2.171 . 2 180 18 18 GLU HG3 H 2.278 . 2 181 18 18 GLU C C 179.266 . 1 182 18 18 GLU CA C 58.340 . 1 183 18 18 GLU CB C 29.410 . 1 184 18 18 GLU CG C 36.061 . 1 185 18 18 GLU N N 120.657 . 1 186 19 19 ASN H H 8.330 . 1 187 19 19 ASN HA H 3.880 . 1 188 19 19 ASN HB3 H 2.633 . 2 189 19 19 ASN HD22 H 7.867 . 2 190 19 19 ASN C C 176.197 . 1 191 19 19 ASN CA C 55.940 . 1 192 19 19 ASN CB C 37.950 . 1 193 19 19 ASN N N 118.605 . 1 194 19 19 ASN ND2 N 113.091 . 1 195 20 20 LYS H H 6.993 . 1 196 20 20 LYS HA H 3.652 . 1 197 20 20 LYS HB2 H 1.714 . 2 198 20 20 LYS HB3 H 1.808 . 2 199 20 20 LYS HD2 H 1.668 . 2 200 20 20 LYS HE2 H 2.965 . 2 201 20 20 LYS HG2 H 1.400 . 2 202 20 20 LYS HG3 H 1.491 . 2 203 20 20 LYS C C 175.719 . 1 204 20 20 LYS CA C 58.230 . 1 205 20 20 LYS CB C 32.110 . 1 206 20 20 LYS CD C 29.764 . 1 207 20 20 LYS CE C 42.037 . 1 208 20 20 LYS CG C 23.745 . 1 209 20 20 LYS N N 111.770 . 1 210 21 21 ASN H H 7.060 . 1 211 21 21 ASN HA H 4.841 . 1 212 21 21 ASN HB2 H 2.647 . 2 213 21 21 ASN HB3 H 2.982 . 2 214 21 21 ASN HD21 H 7.529 . 2 215 21 21 ASN HD22 H 6.830 . 2 216 21 21 ASN C C 175.616 . 1 217 21 21 ASN CA C 52.540 . 1 218 21 21 ASN CB C 39.330 . 1 219 21 21 ASN CG C 177.812 . 1 220 21 21 ASN N N 113.639 . 1 221 21 21 ASN ND2 N 111.257 . 1 222 22 22 LYS H H 7.479 . 1 223 22 22 LYS HA H 4.415 . 1 224 22 22 LYS HB2 H 1.692 . 2 225 22 22 LYS HB3 H 1.850 . 2 226 22 22 LYS HD2 H 1.624 . 2 227 22 22 LYS HE2 H 2.920 . 2 228 22 22 LYS HE3 H 2.851 . 2 229 22 22 LYS HG2 H 1.356 . 2 230 22 22 LYS HG3 H 1.557 . 2 231 22 22 LYS CA C 54.700 . 1 232 22 22 LYS CB C 30.650 . 1 233 22 22 LYS CD C 28.746 . 1 234 22 22 LYS CE C 42.692 . 1 235 22 22 LYS CG C 25.738 . 1 236 22 22 LYS N N 122.024 . 1 237 23 23 PRO HA H 4.272 . 1 238 23 23 PRO HB2 H 1.865 . 2 239 23 23 PRO HB3 H 2.289 . 2 240 23 23 PRO HD2 H 3.592 . 2 241 23 23 PRO HD3 H 3.864 . 2 242 23 23 PRO HG2 H 2.052 . 2 243 23 23 PRO HG3 H 2.131 . 2 244 23 23 PRO C C 178.126 . 1 245 23 23 PRO CA C 63.949 . 1 246 23 23 PRO CB C 31.788 . 1 247 23 23 PRO CD C 50.214 . 1 248 23 23 PRO CG C 27.651 . 1 249 24 24 GLY H H 8.754 . 1 250 24 24 GLY HA2 H 3.638 . 2 251 24 24 GLY HA3 H 4.088 . 2 252 24 24 GLY C C 173.311 . 1 253 24 24 GLY CA C 45.230 . 1 254 24 24 GLY N N 111.697 . 1 255 25 25 VAL H H 7.144 . 1 256 25 25 VAL HA H 4.086 . 1 257 25 25 VAL HB H 1.791 . 1 258 25 25 VAL HG1 H 0.501 . 2 259 25 25 VAL HG2 H 0.623 . 2 260 25 25 VAL C C 175.746 . 1 261 25 25 VAL CA C 63.720 . 1 262 25 25 VAL CB C 31.620 . 1 263 25 25 VAL CG1 C 21.805 . 1 264 25 25 VAL CG2 C 23.210 . 1 265 25 25 VAL N N 120.493 . 1 266 26 26 VAL H H 9.244 . 1 267 26 26 VAL HA H 3.852 . 1 268 26 26 VAL HG1 H 0.563 . 2 269 26 26 VAL HG2 H 0.518 . 2 270 26 26 VAL C C 174.217 . 1 271 26 26 VAL CA C 61.510 . 1 272 26 26 VAL CB C 32.730 . 1 273 26 26 VAL CG1 C 21.363 . 1 274 26 26 VAL CG2 C 20.958 . 1 275 26 26 VAL N N 133.135 . 1 276 27 27 VAL H H 8.257 . 1 277 27 27 VAL HA H 4.489 . 1 278 27 27 VAL HB H 1.948 . 1 279 27 27 VAL HG1 H 0.909 . 2 280 27 27 VAL HG2 H 0.980 . 2 281 27 27 VAL C C 176.103 . 1 282 27 27 VAL CA C 61.090 . 1 283 27 27 VAL CB C 33.000 . 1 284 27 27 VAL CG1 C 21.910 . 1 285 27 27 VAL CG2 C 21.464 . 1 286 27 27 VAL N N 124.300 . 1 287 28 28 LEU H H 8.966 . 1 288 28 28 LEU HA H 4.862 . 1 289 28 28 LEU HB2 H 1.932 . 2 290 28 28 LEU HB3 H 2.060 . 2 291 28 28 LEU HD1 H 1.132 . 2 292 28 28 LEU HD2 H 1.032 . 2 293 28 28 LEU HG H 1.763 . 1 294 28 28 LEU CA C 53.220 . 1 295 28 28 LEU CB C 40.790 . 1 296 28 28 LEU CD1 C 22.278 . 1 297 28 28 LEU CD2 C 25.738 . 1 298 28 28 LEU CG C 27.653 . 1 299 28 28 LEU N N 129.808 . 1 300 29 29 PRO HA H 4.313 . 1 301 29 29 PRO HB2 H 1.980 . 2 302 29 29 PRO HB3 H 2.440 . 2 303 29 29 PRO HD2 H 3.939 . 2 304 29 29 PRO HD3 H 4.009 . 2 305 29 29 PRO HG2 H 2.111 . 2 306 29 29 PRO HG3 H 2.243 . 2 307 29 29 PRO C C 177.480 . 1 308 29 29 PRO CA C 65.596 . 1 309 29 29 PRO CB C 31.747 . 1 310 29 29 PRO CD C 50.348 . 1 311 29 29 PRO CG C 27.607 . 1 312 30 30 SER H H 8.457 . 1 313 30 30 SER HA H 4.182 . 1 314 30 30 SER HB2 H 4.032 . 2 315 30 30 SER HB3 H 4.032 . 2 316 30 30 SER C C 175.524 . 1 317 30 30 SER CA C 58.870 . 1 318 30 30 SER CB C 63.050 . 1 319 30 30 SER N N 111.761 . 1 320 31 31 GLY H H 8.335 . 1 321 31 31 GLY HA2 H 3.535 . 2 322 31 31 GLY HA3 H 4.527 . 2 323 31 31 GLY C C 173.565 . 1 324 31 31 GLY CA C 44.200 . 1 325 31 31 GLY N N 110.540 . 1 326 32 32 LEU H H 7.735 . 1 327 32 32 LEU HA H 4.204 . 1 328 32 32 LEU HB2 H 1.473 . 2 329 32 32 LEU HB3 H 1.835 . 2 330 32 32 LEU HD1 H 1.108 . 2 331 32 32 LEU HD2 H 1.257 . 2 332 32 32 LEU HG H 1.822 . 1 333 32 32 LEU C C 174.063 . 1 334 32 32 LEU CA C 56.560 . 1 335 32 32 LEU CB C 42.820 . 1 336 32 32 LEU CD1 C 26.160 . 1 337 32 32 LEU CD2 C 25.469 . 1 338 32 32 LEU CG C 27.106 . 1 339 32 32 LEU N N 121.969 . 1 340 33 33 GLN H H 8.138 . 1 341 33 33 GLN HB2 H 1.972 . 2 342 33 33 GLN HB3 H 2.275 . 2 343 33 33 GLN HE21 H 7.451 . 2 344 33 33 GLN HE22 H 6.942 . 2 345 33 33 GLN HG2 H 2.273 . 2 346 33 33 GLN HG3 H 2.754 . 2 347 33 33 GLN C C 176.263 . 1 348 33 33 GLN CA C 52.000 . 1 349 33 33 GLN CB C 31.120 . 1 350 33 33 GLN CG C 33.078 . 1 351 33 33 GLN N N 121.517 . 1 352 33 33 GLN NE2 N 108.946 . 1 353 34 34 TYR H H 9.307 . 1 354 34 34 TYR HA H 5.946 . 1 355 34 34 TYR HB2 H 2.949 . 2 356 34 34 TYR HB3 H 2.949 . 2 357 34 34 TYR HD1 H 6.024 . 3 358 34 34 TYR HE1 H 6.093 . 3 359 34 34 TYR C C 171.444 . 1 360 34 34 TYR CA C 56.670 . 1 361 34 34 TYR CB C 43.470 . 1 362 34 34 TYR CD1 C 132.409 . 3 363 34 34 TYR CE1 C 117.111 . 3 364 34 34 TYR N N 117.460 . 1 365 35 35 LYS H H 9.456 . 1 366 35 35 LYS HA H 4.661 . 1 367 35 35 LYS HB2 H 1.743 . 2 368 35 35 LYS HB3 H 1.939 . 2 369 35 35 LYS HD2 H 1.674 . 2 370 35 35 LYS HE2 H 2.878 . 2 371 35 35 LYS HE3 H 2.983 . 2 372 35 35 LYS HG2 H 1.212 . 2 373 35 35 LYS HG3 H 1.312 . 2 374 35 35 LYS C C 174.845 . 1 375 35 35 LYS CA C 55.040 . 1 376 35 35 LYS CB C 38.040 . 1 377 35 35 LYS CD C 29.904 . 1 378 35 35 LYS CE C 42.142 . 1 379 35 35 LYS CG C 25.051 . 1 380 35 35 LYS N N 119.513 . 1 381 36 36 VAL H H 9.008 . 1 382 36 36 VAL HA H 3.559 . 1 383 36 36 VAL HB H 1.941 . 1 384 36 36 VAL HG1 H 0.916 . 2 385 36 36 VAL HG2 H 0.439 . 2 386 36 36 VAL C C 176.170 . 1 387 36 36 VAL CA C 64.210 . 1 388 36 36 VAL CB C 31.730 . 1 389 36 36 VAL CG1 C 21.650 . 1 390 36 36 VAL CG2 C 20.270 . 1 391 36 36 VAL N N 127.579 . 1 392 37 37 ILE H H 8.513 . 1 393 37 37 ILE HA H 4.219 . 1 394 37 37 ILE HB H 1.769 . 1 395 37 37 ILE HD1 H 0.795 . 1 396 37 37 ILE HG12 H 1.460 . 1 397 37 37 ILE HG13 H 1.357 . 1 398 37 37 ILE HG2 H 0.955 . 1 399 37 37 ILE C C 176.250 . 1 400 37 37 ILE CA C 62.540 . 1 401 37 37 ILE CB C 37.150 . 1 402 37 37 ILE CD1 C 11.704 . 1 403 37 37 ILE CG1 C 27.593 . 1 404 37 37 ILE CG2 C 16.615 . 1 405 37 37 ILE N N 129.730 . 1 406 38 38 ASN H H 8.731 . 1 407 38 38 ASN HA H 5.066 . 1 408 38 38 ASN HB2 H 2.787 . 2 409 38 38 ASN HB3 H 2.875 . 2 410 38 38 ASN HD21 H 7.451 . 2 411 38 38 ASN HD22 H 6.865 . 2 412 38 38 ASN C C 174.281 . 1 413 38 38 ASN CA C 53.360 . 1 414 38 38 ASN CB C 42.300 . 1 415 38 38 ASN CG C 176.078 . 1 416 38 38 ASN N N 115.645 . 1 417 38 38 ASN ND2 N 112.320 . 1 418 39 39 SER H H 9.060 . 1 419 39 39 SER HA H 4.923 . 1 420 39 39 SER HB2 H 3.937 . 2 421 39 39 SER HB3 H 4.020 . 2 422 39 39 SER C C 174.377 . 1 423 39 39 SER CA C 58.310 . 1 424 39 39 SER CB C 64.090 . 1 425 39 39 SER N N 121.264 . 1 426 40 40 GLY H H 8.148 . 1 427 40 40 GLY HA2 H 3.552 . 2 428 40 40 GLY HA3 H 4.441 . 2 429 40 40 GLY C C 172.703 . 1 430 40 40 GLY CA C 43.540 . 1 431 40 40 GLY N N 112.536 . 1 432 41 41 ASN H H 8.446 . 1 433 41 41 ASN HA H 5.046 . 1 434 41 41 ASN HB2 H 2.873 . 2 435 41 41 ASN HB3 H 2.873 . 2 436 41 41 ASN HD21 H 7.529 . 2 437 41 41 ASN HD22 H 6.830 . 2 438 41 41 ASN C C 175.941 . 1 439 41 41 ASN CA C 52.270 . 1 440 41 41 ASN CB C 39.600 . 1 441 41 41 ASN N N 115.020 . 1 442 41 41 ASN ND2 N 111.314 . 1 443 42 42 GLY H H 8.181 . 1 444 42 42 GLY HA2 H 3.819 . 2 445 42 42 GLY HA3 H 4.433 . 2 446 42 42 GLY C C 172.194 . 1 447 42 42 GLY CA C 44.450 . 1 448 42 42 GLY N N 108.411 . 1 449 43 43 VAL H H 8.002 . 1 450 43 43 VAL HA H 4.091 . 1 451 43 43 VAL HB H 2.094 . 1 452 43 43 VAL HG1 H 0.900 . 2 453 43 43 VAL HG2 H 0.946 . 2 454 43 43 VAL C C 175.428 . 1 455 43 43 VAL CA C 61.740 . 1 456 43 43 VAL CB C 32.580 . 1 457 43 43 VAL CG1 C 19.597 . 1 458 43 43 VAL CG2 C 20.974 . 1 459 43 43 VAL N N 115.351 . 1 460 44 44 LYS H H 8.051 . 1 461 44 44 LYS HA H 5.089 . 1 462 44 44 LYS HB2 H 1.441 . 2 463 44 44 LYS HB3 H 1.580 . 2 464 44 44 LYS HD2 H 1.551 . 2 465 44 44 LYS HD3 H 1.655 . 2 466 44 44 LYS HE2 H 2.912 . 2 467 44 44 LYS HE3 H 2.912 . 2 468 44 44 LYS HG2 H 0.755 . 2 469 44 44 LYS HG3 H 1.380 . 2 470 44 44 LYS CA C 53.030 . 1 471 44 44 LYS CB C 32.330 . 1 472 44 44 LYS CD C 29.566 . 1 473 44 44 LYS CE C 42.145 . 1 474 44 44 LYS CG C 24.918 . 1 475 44 44 LYS N N 122.309 . 1 476 45 45 PRO HA H 4.499 . 1 477 45 45 PRO HB2 H 1.964 . 2 478 45 45 PRO HD2 H 3.779 . 2 479 45 45 PRO HD3 H 4.232 . 2 480 45 45 PRO HG2 H 1.595 . 2 481 45 45 PRO HG3 H 1.785 . 2 482 45 45 PRO C C 176.829 . 1 483 45 45 PRO CA C 62.345 . 1 484 45 45 PRO CB C 32.744 . 1 485 45 45 PRO CD C 51.169 . 1 486 45 45 PRO CG C 27.719 . 1 487 46 46 GLY H H 9.397 . 1 488 46 46 GLY HA2 H 3.713 . 2 489 46 46 GLY HA3 H 4.476 . 2 490 46 46 GLY C C 175.268 . 1 491 46 46 GLY CA C 43.240 . 1 492 46 46 GLY N N 109.568 . 1 493 47 47 LYS H H 8.138 . 1 494 47 47 LYS HA H 3.675 . 1 495 47 47 LYS HB2 H 1.766 . 2 496 47 47 LYS HB3 H 1.766 . 2 497 47 47 LYS HD2 H 1.675 . 2 498 47 47 LYS HE2 H 2.982 . 2 499 47 47 LYS HG2 H 1.390 . 2 500 47 47 LYS C C 176.288 . 1 501 47 47 LYS CA C 59.610 . 1 502 47 47 LYS CB C 32.560 . 1 503 47 47 LYS CD C 29.290 . 1 504 47 47 LYS CE C 41.743 . 1 505 47 47 LYS CG C 24.984 . 1 506 47 47 LYS N N 116.614 . 1 507 48 48 SER H H 8.248 . 1 508 48 48 SER HA H 4.814 . 1 509 48 48 SER HB2 H 3.940 . 2 510 48 48 SER HB3 H 4.024 . 2 511 48 48 SER C C 174.852 . 1 512 48 48 SER CA C 57.110 . 1 513 48 48 SER CB C 63.960 . 1 514 48 48 SER N N 109.635 . 1 515 49 49 ASP H H 7.251 . 1 516 49 49 ASP HA H 4.834 . 1 517 49 49 ASP HB2 H 2.688 . 2 518 49 49 ASP C C 174.758 . 1 519 49 49 ASP CA C 55.060 . 1 520 49 49 ASP CB C 41.890 . 1 521 49 49 ASP N N 122.102 . 1 522 50 50 THR H H 8.459 . 1 523 50 50 THR HA H 4.857 . 1 524 50 50 THR HB H 3.930 . 1 525 50 50 THR HG2 H 1.027 . 1 526 50 50 THR C C 173.911 . 1 527 50 50 THR CA C 62.770 . 1 528 50 50 THR CB C 70.440 . 1 529 50 50 THR CG2 C 21.469 . 1 530 50 50 THR N N 116.088 . 1 531 51 51 VAL H H 9.148 . 1 532 51 51 VAL HA H 5.185 . 1 533 51 51 VAL HB H 1.981 . 1 534 51 51 VAL HG1 H 0.714 . 2 535 51 51 VAL HG2 H 0.866 . 2 536 51 51 VAL C C 173.607 . 1 537 51 51 VAL CA C 58.260 . 1 538 51 51 VAL CB C 34.460 . 1 539 51 51 VAL CG1 C 18.614 . 1 540 51 51 VAL CG2 C 23.143 . 1 541 51 51 VAL N N 119.023 . 1 542 52 52 THR H H 7.987 . 1 543 52 52 THR HA H 5.335 . 1 544 52 52 THR HB H 3.838 . 1 545 52 52 THR HG2 H 1.055 . 1 546 52 52 THR C C 174.980 . 1 547 52 52 THR CA C 61.630 . 1 548 52 52 THR CB C 70.290 . 1 549 52 52 THR CG2 C 21.545 . 1 550 52 52 THR N N 117.207 . 1 551 53 53 VAL H H 9.563 . 1 552 53 53 VAL HA H 5.556 . 1 553 53 53 VAL HB H 2.377 . 1 554 53 53 VAL HG1 H 1.279 . 2 555 53 53 VAL HG2 H 0.989 . 2 556 53 53 VAL C C 174.850 . 1 557 53 53 VAL CA C 58.530 . 1 558 53 53 VAL CB C 36.060 . 1 559 53 53 VAL CG1 C 20.225 . 1 560 53 53 VAL CG2 C 22.044 . 1 561 53 53 VAL N N 118.362 . 1 562 54 54 GLU H H 8.737 . 1 563 54 54 GLU HA H 5.083 . 1 564 54 54 GLU HB2 H 2.118 . 2 565 54 54 GLU HG2 H 2.253 . 2 566 54 54 GLU HG3 H 2.368 . 2 567 54 54 GLU C C 176.167 . 1 568 54 54 GLU CA C 54.660 . 1 569 54 54 GLU CB C 32.850 . 1 570 54 54 GLU CG C 36.696 . 1 571 54 54 GLU N N 118.738 . 1 572 55 55 TYR H H 8.762 . 1 573 55 55 TYR HA H 6.251 . 1 574 55 55 TYR HB2 H 3.388 . 2 575 55 55 TYR HB3 H 3.478 . 2 576 55 55 TYR HD1 H 7.083 . 3 577 55 55 TYR HE1 H 6.808 . 3 578 55 55 TYR C C 173.749 . 1 579 55 55 TYR CA C 57.150 . 1 580 55 55 TYR CB C 42.880 . 1 581 55 55 TYR CD1 C 132.758 . 3 582 55 55 TYR CE1 C 118.266 . 3 583 55 55 TYR N N 118.639 . 1 584 56 56 THR H H 8.763 . 1 585 56 56 THR HA H 4.904 . 1 586 56 56 THR HB H 4.047 . 1 587 56 56 THR HG2 H 1.342 . 1 588 56 56 THR C C 173.761 . 1 589 56 56 THR CA C 62.720 . 1 590 56 56 THR CB C 72.620 . 1 591 56 56 THR CG2 C 20.455 . 1 592 56 56 THR N N 114.614 . 1 593 57 57 GLY H H 9.402 . 1 594 57 57 GLY HA3 H 4.728 . 2 595 57 57 GLY C C 170.466 . 1 596 57 57 GLY CA C 45.150 . 1 597 57 57 GLY N N 116.466 . 1 598 58 58 ARG H H 9.456 . 1 599 58 58 ARG HA H 5.433 . 1 600 58 58 ARG HB2 H 1.441 . 2 601 58 58 ARG HD2 H 2.912 . 2 602 58 58 ARG HD3 H 3.093 . 2 603 58 58 ARG HG2 H 1.349 . 2 604 58 58 ARG HG3 H 1.479 . 2 605 58 58 ARG C C 174.390 . 1 606 58 58 ARG CA C 53.580 . 1 607 58 58 ARG CB C 35.330 . 1 608 58 58 ARG CD C 44.070 . 1 609 58 58 ARG CG C 27.645 . 1 610 58 58 ARG N N 124.579 . 1 611 59 59 LEU H H 8.362 . 1 612 59 59 LEU HA H 4.893 . 1 613 59 59 LEU HB2 H 1.985 . 2 614 59 59 LEU HB3 H 2.065 . 2 615 59 59 LEU HD1 H 1.010 . 2 616 59 59 LEU HD2 H 0.825 . 2 617 59 59 LEU HG H 1.874 . 1 618 59 59 LEU C C 180.417 . 1 619 59 59 LEU CA C 52.710 . 1 620 59 59 LEU CB C 42.130 . 1 621 59 59 LEU CD1 C 25.200 . 1 622 59 59 LEU CD2 C 22.731 . 1 623 59 59 LEU CG C 27.106 . 1 624 59 59 LEU N N 117.805 . 1 625 60 60 ILE H H 9.486 . 1 626 60 60 ILE HA H 3.375 . 1 627 60 60 ILE HB H 1.575 . 1 628 60 60 ILE HD1 H 0.523 . 1 629 60 60 ILE HG12 H 0.946 . 1 630 60 60 ILE HG13 H 1.253 . 1 631 60 60 ILE HG2 H 0.849 . 1 632 60 60 ILE C C 177.083 . 1 633 60 60 ILE CA C 65.140 . 1 634 60 60 ILE CB C 37.680 . 1 635 60 60 ILE CD1 C 17.155 . 1 636 60 60 ILE CG1 C 26.445 . 1 637 60 60 ILE CG2 C 15.339 . 1 638 60 60 ILE N N 118.196 . 1 639 61 61 ASP H H 7.514 . 1 640 61 61 ASP HA H 4.509 . 1 641 61 61 ASP HB2 H 2.621 . 2 642 61 61 ASP HB3 H 3.122 . 2 643 61 61 ASP C C 177.027 . 1 644 61 61 ASP CA C 53.460 . 1 645 61 61 ASP CB C 40.020 . 1 646 61 61 ASP N N 117.113 . 1 647 62 62 GLY H H 8.039 . 1 648 62 62 GLY HA2 H 3.578 . 2 649 62 62 GLY HA3 H 4.486 . 2 650 62 62 GLY C C 174.665 . 1 651 62 62 GLY CA C 44.830 . 1 652 62 62 GLY N N 108.488 . 1 653 63 63 THR H H 8.184 . 1 654 63 63 THR HA H 3.868 . 1 655 63 63 THR HB H 4.090 . 1 656 63 63 THR HG2 H 1.178 . 1 657 63 63 THR C C 174.162 . 1 658 63 63 THR CA C 64.830 . 1 659 63 63 THR CB C 69.160 . 1 660 63 63 THR CG2 C 20.409 . 1 661 63 63 THR N N 118.668 . 1 662 64 64 VAL H H 8.850 . 1 663 64 64 VAL HA H 4.291 . 1 664 64 64 VAL HB H 2.043 . 1 665 64 64 VAL HG1 H 1.007 . 2 666 64 64 VAL HG2 H 0.906 . 2 667 64 64 VAL C C 176.640 . 1 668 64 64 VAL CA C 62.520 . 1 669 64 64 VAL CB C 32.310 . 1 670 64 64 VAL CG1 C 21.910 . 1 671 64 64 VAL CG2 C 21.305 . 1 672 64 64 VAL N N 129.893 . 1 673 65 65 PHE H H 8.206 . 1 674 65 65 PHE HA H 5.092 . 1 675 65 65 PHE HB2 H 2.556 . 2 676 65 65 PHE HB3 H 3.421 . 2 677 65 65 PHE HD1 H 7.010 . 3 678 65 65 PHE HE1 H 7.007 . 3 679 65 65 PHE HZ H 6.567 . 1 680 65 65 PHE C C 174.932 . 1 681 65 65 PHE CA C 56.010 . 1 682 65 65 PHE CB C 40.550 . 1 683 65 65 PHE CD1 C 132.263 . 3 684 65 65 PHE CE1 C 132.022 . 3 685 65 65 PHE CE2 C 132.391 . 3 686 65 65 PHE CZ C 129.798 . 1 687 65 65 PHE N N 123.920 . 1 688 66 66 ASP H H 7.143 . 1 689 66 66 ASP HA H 4.909 . 1 690 66 66 ASP HB2 H 3.185 . 2 691 66 66 ASP HB3 H 3.629 . 2 692 66 66 ASP C C 174.439 . 1 693 66 66 ASP CA C 54.610 . 1 694 66 66 ASP CB C 43.040 . 1 695 66 66 ASP N N 119.575 . 1 696 67 67 SER H H 8.362 . 1 697 67 67 SER HA H 5.106 . 1 698 67 67 SER HB2 H 3.661 . 2 699 67 67 SER HB3 H 4.211 . 2 700 67 67 SER C C 175.700 . 1 701 67 67 SER CA C 56.770 . 1 702 67 67 SER CB C 64.650 . 1 703 67 67 SER N N 117.715 . 1 704 68 68 THR H H 8.896 . 1 705 68 68 THR HA H 4.409 . 1 706 68 68 THR HB H 4.581 . 1 707 68 68 THR HG2 H 1.239 . 1 708 68 68 THR C C 176.939 . 1 709 68 68 THR CA C 64.070 . 1 710 68 68 THR CB C 68.310 . 1 711 68 68 THR CG2 C 23.420 . 1 712 68 68 THR N N 119.668 . 1 713 69 69 GLU H H 8.352 . 1 714 69 69 GLU HA H 4.063 . 1 715 69 69 GLU HB2 H 1.913 . 2 716 69 69 GLU HB3 H 1.997 . 2 717 69 69 GLU HG2 H 2.176 . 2 718 69 69 GLU HG3 H 2.240 . 2 719 69 69 GLU C C 178.145 . 1 720 69 69 GLU CA C 58.690 . 1 721 69 69 GLU CB C 29.570 . 1 722 69 69 GLU CG C 36.457 . 1 723 69 69 GLU N N 122.614 . 1 724 70 70 LYS H H 7.466 . 1 725 70 70 LYS HA H 4.167 . 1 726 70 70 LYS HB2 H 2.028 . 2 727 70 70 LYS HD2 H 1.802 . 2 728 70 70 LYS HE2 H 3.063 . 2 729 70 70 LYS HG2 H 1.551 . 2 730 70 70 LYS C C 178.067 . 1 731 70 70 LYS CA C 58.580 . 1 732 70 70 LYS CB C 32.220 . 1 733 70 70 LYS CD C 28.964 . 1 734 70 70 LYS CE C 41.976 . 1 735 70 70 LYS CG C 25.023 . 1 736 70 70 LYS N N 117.311 . 1 737 71 71 THR H H 7.575 . 1 738 71 71 THR HA H 4.387 . 1 739 71 71 THR HB H 4.354 . 1 740 71 71 THR HG2 H 1.344 . 1 741 71 71 THR C C 176.513 . 1 742 71 71 THR CA C 62.360 . 1 743 71 71 THR CB C 69.950 . 1 744 71 71 THR CG2 C 22.067 . 1 745 71 71 THR N N 107.501 . 1 746 72 72 GLY H H 8.067 . 1 747 72 72 GLY HA2 H 3.820 . 2 748 72 72 GLY HA3 H 4.162 . 2 749 72 72 GLY C C 173.476 . 1 750 72 72 GLY CA C 45.870 . 1 751 72 72 GLY N N 109.801 . 1 752 73 73 LYS H H 7.656 . 1 753 73 73 LYS HA H 4.898 . 1 754 73 73 LYS HB2 H 1.692 . 2 755 73 73 LYS HB3 H 1.874 . 2 756 73 73 LYS HD2 H 1.754 . 2 757 73 73 LYS HE2 H 3.043 . 2 758 73 73 LYS HG2 H 1.440 . 2 759 73 73 LYS CA C 53.120 . 1 760 73 73 LYS CB C 33.940 . 1 761 73 73 LYS CD C 29.017 . 1 762 73 73 LYS CE C 42.145 . 1 763 73 73 LYS CG C 24.650 . 1 764 73 73 LYS N N 119.670 . 1 765 74 74 PRO HA H 4.547 . 1 766 74 74 PRO HB2 H 1.696 . 2 767 74 74 PRO HB3 H 2.023 . 2 768 74 74 PRO HD2 H 3.607 . 2 769 74 74 PRO HD3 H 3.839 . 2 770 74 74 PRO HG2 H 1.853 . 2 771 74 74 PRO C C 175.412 . 1 772 74 74 PRO CA C 62.640 . 1 773 74 74 PRO CB C 32.996 . 1 774 74 74 PRO CD C 50.379 . 1 775 74 74 PRO CG C 26.693 . 1 776 75 75 ALA H H 8.924 . 1 777 75 75 ALA HA H 4.814 . 1 778 75 75 ALA HB H 1.579 . 1 779 75 75 ALA C C 175.707 . 1 780 75 75 ALA CA C 50.920 . 1 781 75 75 ALA CB C 22.480 . 1 782 75 75 ALA N N 124.845 . 1 783 76 76 THR H H 8.135 . 1 784 76 76 THR HA H 5.567 . 1 785 76 76 THR HB H 3.722 . 1 786 76 76 THR HG2 H 1.027 . 1 787 76 76 THR C C 173.562 . 1 788 76 76 THR CA C 60.650 . 1 789 76 76 THR CB C 71.610 . 1 790 76 76 THR CG2 C 21.236 . 1 791 76 76 THR N N 116.689 . 1 792 77 77 PHE H H 8.297 . 1 793 77 77 PHE HA H 4.905 . 1 794 77 77 PHE HB2 H 2.851 . 2 795 77 77 PHE HB3 H 3.281 . 2 796 77 77 PHE HD1 H 6.889 . 3 797 77 77 PHE HE1 H 6.811 . 3 798 77 77 PHE HZ H 6.914 . 1 799 77 77 PHE C C 174.237 . 1 800 77 77 PHE CA C 55.800 . 1 801 77 77 PHE CB C 40.900 . 1 802 77 77 PHE CD1 C 132.345 . 3 803 77 77 PHE CE1 C 129.817 . 3 804 77 77 PHE CZ C 128.648 . 1 805 77 77 PHE N N 120.685 . 1 806 78 78 GLN H H 8.714 . 1 807 78 78 GLN HA H 5.189 . 1 808 78 78 GLN HB2 H 1.776 . 2 809 78 78 GLN HB3 H 2.030 . 2 810 78 78 GLN HE21 H 7.396 . 2 811 78 78 GLN HE22 H 6.821 . 2 812 78 78 GLN HG2 H 2.327 . 2 813 78 78 GLN HG3 H 2.398 . 2 814 78 78 GLN C C 177.946 . 1 815 78 78 GLN CA C 55.400 . 1 816 78 78 GLN CB C 29.980 . 1 817 78 78 GLN CG C 34.674 . 1 818 78 78 GLN N N 119.612 . 1 819 78 78 GLN NE2 N 110.781 . 1 820 79 79 VAL H H 8.421 . 1 821 79 79 VAL HA H 3.409 . 1 822 79 79 VAL HB H 2.304 . 1 823 79 79 VAL HG1 H 1.010 . 2 824 79 79 VAL HG2 H 1.090 . 2 825 79 79 VAL C C 175.133 . 1 826 79 79 VAL CA C 67.100 . 1 827 79 79 VAL CB C 32.030 . 1 828 79 79 VAL CG1 C 23.519 . 1 829 79 79 VAL CG2 C 24.919 . 1 830 79 79 VAL N N 124.328 . 1 831 80 80 SER H H 7.666 . 1 832 80 80 SER HA H 4.349 . 1 833 80 80 SER HB2 H 3.959 . 2 834 80 80 SER HB3 H 4.146 . 2 835 80 80 SER C C 175.445 . 1 836 80 80 SER CA C 59.200 . 1 837 80 80 SER CB C 63.280 . 1 838 80 80 SER N N 108.976 . 1 839 81 81 GLN H H 7.809 . 1 840 81 81 GLN HA H 4.344 . 1 841 81 81 GLN HB2 H 2.254 . 2 842 81 81 GLN HB3 H 2.322 . 2 843 81 81 GLN HE21 H 7.508 . 2 844 81 81 GLN HE22 H 6.718 . 2 845 81 81 GLN HG2 H 2.393 . 2 846 81 81 GLN HG3 H 2.465 . 2 847 81 81 GLN C C 174.270 . 1 848 81 81 GLN CA C 56.130 . 1 849 81 81 GLN CB C 28.520 . 1 850 81 81 GLN CG C 34.454 . 1 851 81 81 GLN N N 120.100 . 1 852 81 81 GLN NE2 N 111.787 . 1 853 82 82 VAL H H 6.327 . 1 854 82 82 VAL HA H 4.404 . 1 855 82 82 VAL HB H 1.474 . 1 856 82 82 VAL HG1 H 0.795 . 2 857 82 82 VAL C C 174.547 . 1 858 82 82 VAL CA C 58.980 . 1 859 82 82 VAL CB C 35.070 . 1 860 82 82 VAL CG1 C 18.902 . 1 861 82 82 VAL CG2 C 22.457 . 1 862 82 82 VAL N N 131.719 . 1 863 83 83 ILE H H 7.085 . 1 864 83 83 ILE HA H 4.101 . 1 865 83 83 ILE HB H 2.216 . 1 866 83 83 ILE HD1 H 0.916 . 1 867 83 83 ILE HG12 H 0.838 . 1 868 83 83 ILE HG13 H 1.540 . 1 869 83 83 ILE HG2 H 0.435 . 1 870 83 83 ILE CA C 60.670 . 1 871 83 83 ILE CB C 36.190 . 1 872 83 83 ILE CD1 C 13.707 . 1 873 83 83 ILE CG1 C 25.465 . 1 874 83 83 ILE CG2 C 19.723 . 1 875 83 83 ILE N N 132.649 . 1 876 84 84 PRO HA H 4.444 . 1 877 84 84 PRO HB2 H 1.940 . 2 878 84 84 PRO HB3 H 2.527 . 2 879 84 84 PRO HD2 H 3.505 . 2 880 84 84 PRO HD3 H 3.902 . 2 881 84 84 PRO HG2 H 2.143 . 2 882 84 84 PRO HG3 H 2.265 . 2 883 84 84 PRO C C 179.910 . 1 884 84 84 PRO CA C 66.221 . 1 885 84 84 PRO CB C 32.501 . 1 886 84 84 PRO CD C 50.622 . 1 887 84 84 PRO CG C 27.470 . 1 888 85 85 GLY H H 9.355 . 1 889 85 85 GLY HA2 H 3.655 . 2 890 85 85 GLY HA3 H 4.105 . 2 891 85 85 GLY C C 174.906 . 1 892 85 85 GLY CA C 48.010 . 1 893 85 85 GLY N N 102.497 . 1 894 86 86 TRP H H 7.680 . 1 895 86 86 TRP HA H 3.917 . 1 896 86 86 TRP HB2 H 2.950 . 2 897 86 86 TRP HB3 H 3.185 . 2 898 86 86 TRP HD1 H 6.297 . 1 899 86 86 TRP HE3 H 7.300 . 1 900 86 86 TRP HH2 H 6.650 . 1 901 86 86 TRP HZ2 H 6.337 . 1 902 86 86 TRP HZ3 H 6.903 . 1 903 86 86 TRP C C 177.178 . 1 904 86 86 TRP CA C 61.880 . 1 905 86 86 TRP CB C 28.390 . 1 906 86 86 TRP CD1 C 121.842 . 1 907 86 86 TRP CE3 C 119.167 . 1 908 86 86 TRP CH2 C 124.241 . 1 909 86 86 TRP CZ2 C 112.994 . 1 910 86 86 TRP CZ3 C 121.195 . 1 911 86 86 TRP N N 117.819 . 1 912 86 86 TRP NE1 N 121.824 . 1 913 87 87 THR H H 8.372 . 1 914 87 87 THR HA H 3.748 . 1 915 87 87 THR HB H 3.999 . 1 916 87 87 THR HG2 H 1.193 . 1 917 87 87 THR C C 176.079 . 1 918 87 87 THR CA C 67.480 . 1 919 87 87 THR CB C 69.240 . 1 920 87 87 THR CG2 C 22.057 . 1 921 87 87 THR N N 117.659 . 1 922 88 88 GLU H H 8.076 . 1 923 88 88 GLU HA H 3.894 . 1 924 88 88 GLU HB2 H 1.968 . 2 925 88 88 GLU C C 177.957 . 1 926 88 88 GLU CA C 59.350 . 1 927 88 88 GLU CB C 29.510 . 1 928 88 88 GLU N N 118.832 . 1 929 89 89 ALA H H 7.272 . 1 930 89 89 ALA HA H 3.710 . 1 931 89 89 ALA HB H 1.310 . 1 932 89 89 ALA C C 179.179 . 1 933 89 89 ALA CA C 55.460 . 1 934 89 89 ALA CB C 18.930 . 1 935 89 89 ALA N N 118.554 . 1 936 90 90 LEU H H 8.759 . 1 937 90 90 LEU HA H 3.621 . 1 938 90 90 LEU HB2 H 1.060 . 2 939 90 90 LEU HB3 H 1.906 . 2 940 90 90 LEU HD1 H 1.180 . 2 941 90 90 LEU HD2 H 0.856 . 2 942 90 90 LEU HG H 1.870 . 1 943 90 90 LEU C C 178.047 . 1 944 90 90 LEU CA C 57.830 . 1 945 90 90 LEU CB C 42.580 . 1 946 90 90 LEU CD1 C 27.650 . 1 947 90 90 LEU CD2 C 23.134 . 1 948 90 90 LEU CG C 27.908 . 1 949 90 90 LEU N N 113.125 . 1 950 91 91 GLN H H 6.330 . 1 951 91 91 GLN HA H 4.376 . 1 952 91 91 GLN HB2 H 1.796 . 2 953 91 91 GLN HB3 H 2.342 . 2 954 91 91 GLN HE21 H 6.998 . 2 955 91 91 GLN HE22 H 6.844 . 2 956 91 91 GLN HG2 H 2.116 . 2 957 91 91 GLN HG3 H 2.502 . 2 958 91 91 GLN C C 176.335 . 1 959 91 91 GLN CA C 57.330 . 1 960 91 91 GLN CB C 31.660 . 1 961 91 91 GLN CG C 35.980 . 1 962 91 91 GLN N N 108.579 . 1 963 91 91 GLN NE2 N 110.781 . 1 964 92 92 LEU H H 7.344 . 1 965 92 92 LEU HA H 4.280 . 1 966 92 92 LEU HB2 H 1.702 . 2 967 92 92 LEU HB3 H 1.973 . 2 968 92 92 LEU HD1 H 0.910 . 2 969 92 92 LEU HD2 H 0.999 . 2 970 92 92 LEU HG H 1.823 . 1 971 92 92 LEU C C 176.067 . 1 972 92 92 LEU CA C 54.270 . 1 973 92 92 LEU CB C 44.040 . 1 974 92 92 LEU CD1 C 22.283 . 1 975 92 92 LEU CD2 C 26.285 . 1 976 92 92 LEU CG C 26.137 . 1 977 92 92 LEU N N 117.191 . 1 978 93 93 MET H H 6.968 . 1 979 93 93 MET HA H 3.585 . 1 980 93 93 MET HB2 H 1.041 . 2 981 93 93 MET HB3 H 1.412 . 2 982 93 93 MET HG3 H 1.243 . 2 983 93 93 MET CA C 54.270 . 1 984 93 93 MET CB C 35.130 . 1 985 93 93 MET CG C 30.114 . 1 986 93 93 MET N N 120.954 . 1 987 94 94 PRO HA H 3.903 . 1 988 94 94 PRO HB2 H 1.292 . 2 989 94 94 PRO HB3 H 2.456 . 2 990 94 94 PRO HD2 H 3.663 . 2 991 94 94 PRO HD3 H 4.447 . 2 992 94 94 PRO HG2 H 1.798 . 2 993 94 94 PRO HG3 H 2.106 . 2 994 94 94 PRO C C 180.538 . 1 995 94 94 PRO CA C 61.645 . 1 996 94 94 PRO CB C 32.757 . 1 997 94 94 PRO CD C 50.348 . 1 998 94 94 PRO CG C 28.160 . 1 999 95 95 ALA H H 8.643 . 1 1000 95 95 ALA HA H 3.666 . 1 1001 95 95 ALA HB H 1.399 . 1 1002 95 95 ALA C C 176.390 . 1 1003 95 95 ALA CA C 54.850 . 1 1004 95 95 ALA CB C 17.300 . 1 1005 95 95 ALA N N 129.029 . 1 1006 96 96 GLY H H 8.528 . 1 1007 96 96 GLY HA2 H 4.002 . 2 1008 96 96 GLY HA3 H 4.682 . 2 1009 96 96 GLY C C 175.637 . 1 1010 96 96 GLY CA C 44.760 . 1 1011 96 96 GLY N N 109.602 . 1 1012 97 97 SER H H 7.818 . 1 1013 97 97 SER HA H 4.749 . 1 1014 97 97 SER HB2 H 3.549 . 2 1015 97 97 SER HB3 H 4.176 . 2 1016 97 97 SER C C 173.279 . 1 1017 97 97 SER CA C 59.320 . 1 1018 97 97 SER CB C 64.900 . 1 1019 97 97 SER N N 116.384 . 1 1020 98 98 THR H H 9.390 . 1 1021 98 98 THR HA H 5.939 . 1 1022 98 98 THR HB H 4.025 . 1 1023 98 98 THR HG2 H 1.094 . 1 1024 98 98 THR C C 173.681 . 1 1025 98 98 THR CA C 62.090 . 1 1026 98 98 THR CB C 70.070 . 1 1027 98 98 THR CG2 C 20.570 . 1 1028 98 98 THR N N 118.404 . 1 1029 99 99 TRP H H 9.398 . 1 1030 99 99 TRP HA H 5.668 . 1 1031 99 99 TRP HB2 H 2.964 . 2 1032 99 99 TRP HB3 H 3.250 . 2 1033 99 99 TRP HD1 H 7.248 . 1 1034 99 99 TRP HE1 H 10.572 . 1 1035 99 99 TRP HE3 H 6.652 . 1 1036 99 99 TRP HH2 H 6.500 . 1 1037 99 99 TRP HZ2 H 7.273 . 1 1038 99 99 TRP HZ3 H 5.691 . 1 1039 99 99 TRP C C 174.450 . 1 1040 99 99 TRP CA C 54.480 . 1 1041 99 99 TRP CB C 34.820 . 1 1042 99 99 TRP CD1 C 120.897 . 1 1043 99 99 TRP CE3 C 119.056 . 1 1044 99 99 TRP CH2 C 126.109 . 1 1045 99 99 TRP CZ2 C 112.372 . 1 1046 99 99 TRP CZ3 C 121.439 . 1 1047 99 99 TRP N N 129.314 . 1 1048 99 99 TRP NE1 N 127.157 . 1 1049 100 100 GLU H H 9.356 . 1 1050 100 100 GLU HA H 5.489 . 1 1051 100 100 GLU HB2 H 1.781 . 2 1052 100 100 GLU HB3 H 2.038 . 2 1053 100 100 GLU HG2 H 1.650 . 2 1054 100 100 GLU HG3 H 1.918 . 2 1055 100 100 GLU C C 174.530 . 1 1056 100 100 GLU CA C 55.530 . 1 1057 100 100 GLU CB C 33.280 . 1 1058 100 100 GLU CG C 38.510 . 1 1059 100 100 GLU N N 122.321 . 1 1060 101 101 ILE H H 9.297 . 1 1061 101 101 ILE HA H 5.338 . 1 1062 101 101 ILE HB H 1.955 . 1 1063 101 101 ILE HD1 H 0.212 . 1 1064 101 101 ILE HG12 H 1.006 . 1 1065 101 101 ILE HG13 H 1.563 . 1 1066 101 101 ILE HG2 H 0.973 . 1 1067 101 101 ILE C C 172.911 . 1 1068 101 101 ILE CA C 58.800 . 1 1069 101 101 ILE CB C 40.940 . 1 1070 101 101 ILE CD1 C 14.035 . 1 1071 101 101 ILE CG1 C 26.233 . 1 1072 101 101 ILE CG2 C 16.829 . 1 1073 101 101 ILE N N 117.362 . 1 1074 102 102 TYR H H 8.994 . 1 1075 102 102 TYR HA H 5.068 . 1 1076 102 102 TYR HB2 H 2.750 . 2 1077 102 102 TYR HB3 H 3.188 . 2 1078 102 102 TYR HD1 H 7.043 . 3 1079 102 102 TYR HE1 H 6.828 . 3 1080 102 102 TYR C C 174.265 . 1 1081 102 102 TYR CA C 55.910 . 1 1082 102 102 TYR CB C 38.160 . 1 1083 102 102 TYR CD1 C 134.262 . 3 1084 102 102 TYR CE1 C 120.808 . 3 1085 102 102 TYR N N 123.500 . 1 1086 103 103 VAL H H 9.743 . 1 1087 103 103 VAL HA H 4.591 . 1 1088 103 103 VAL HB H 2.553 . 1 1089 103 103 VAL HG2 H 1.124 . 2 1090 103 103 VAL CA C 60.100 . 1 1091 103 103 VAL CB C 33.750 . 1 1092 103 103 VAL CG2 C 21.192 . 1 1093 103 103 VAL N N 123.515 . 1 1094 104 104 PRO HA H 4.678 . 1 1095 104 104 PRO HB2 H 1.959 . 2 1096 104 104 PRO HB3 H 2.529 . 2 1097 104 104 PRO HD2 H 3.744 . 2 1098 104 104 PRO HD3 H 4.627 . 2 1099 104 104 PRO HG2 H 1.967 . 2 1100 104 104 PRO HG3 H 2.067 . 2 1101 104 104 PRO C C 178.438 . 1 1102 104 104 PRO CA C 62.236 . 1 1103 104 104 PRO CB C 32.480 . 1 1104 104 104 PRO CD C 51.627 . 1 1105 104 104 PRO CG C 27.926 . 1 1106 105 105 SER H H 8.592 . 1 1107 105 105 SER HA H 4.145 . 1 1108 105 105 SER HB2 H 3.499 . 2 1109 105 105 SER HB3 H 3.684 . 2 1110 105 105 SER C C 178.780 . 1 1111 105 105 SER CA C 62.286 . 1 1112 105 105 SER CB C 62.286 . 1 1113 105 105 SER N N 118.679 . 1 1114 106 106 GLY H H 8.916 . 1 1115 106 106 GLY HA2 H 3.952 . 2 1116 106 106 GLY C C 175.301 . 1 1117 106 106 GLY CA C 46.410 . 1 1118 106 106 GLY N N 110.700 . 1 1119 107 107 LEU H H 7.946 . 1 1120 107 107 LEU HA H 4.583 . 1 1121 107 107 LEU HB2 H 1.565 . 2 1122 107 107 LEU HB3 H 1.741 . 2 1123 107 107 LEU HD1 H 0.980 . 2 1124 107 107 LEU HD2 H 0.910 . 2 1125 107 107 LEU HG H 1.678 . 1 1126 107 107 LEU C C 174.508 . 1 1127 107 107 LEU CA C 53.750 . 1 1128 107 107 LEU CB C 42.360 . 1 1129 107 107 LEU CD1 C 25.836 . 1 1130 107 107 LEU CD2 C 18.902 . 1 1131 107 107 LEU CG C 27.353 . 1 1132 107 107 LEU N N 119.230 . 1 1133 108 108 ALA H H 7.760 . 1 1134 108 108 ALA HA H 4.333 . 1 1135 108 108 ALA HB H 1.373 . 1 1136 108 108 ALA C C 175.026 . 1 1137 108 108 ALA CA C 51.230 . 1 1138 108 108 ALA CB C 18.820 . 1 1139 108 108 ALA N N 125.920 . 1 1140 109 109 TYR H H 9.084 . 1 1141 109 109 TYR HA H 4.538 . 1 1142 109 109 TYR HB2 H 2.841 . 2 1143 109 109 TYR HB3 H 3.203 . 2 1144 109 109 TYR HD1 H 7.118 . 3 1145 109 109 TYR HE1 H 6.406 . 3 1146 109 109 TYR C C 176.234 . 1 1147 109 109 TYR CA C 59.000 . 1 1148 109 109 TYR CB C 38.170 . 1 1149 109 109 TYR CD1 C 133.131 . 3 1150 109 109 TYR CE1 C 116.615 . 3 1151 109 109 TYR N N 121.730 . 1 1152 110 110 GLY H H 8.492 . 1 1153 110 110 GLY HA2 H 3.776 . 2 1154 110 110 GLY HA3 H 4.286 . 2 1155 110 110 GLY CA C 45.340 . 1 1156 110 110 GLY N N 109.974 . 1 1157 111 111 PRO HA H 4.431 . 1 1158 111 111 PRO HB2 H 2.210 . 2 1159 111 111 PRO HB3 H 2.292 . 2 1160 111 111 PRO HD2 H 3.678 . 2 1161 111 111 PRO HD3 H 3.991 . 2 1162 111 111 PRO HG2 H 1.963 . 2 1163 111 111 PRO HG3 H 2.122 . 2 1164 111 111 PRO C C 175.483 . 1 1165 111 111 PRO CA C 63.757 . 1 1166 111 111 PRO CB C 31.758 . 1 1167 111 111 PRO CD C 50.622 . 1 1168 111 111 PRO CG C 26.383 . 1 1169 112 112 ARG H H 7.574 . 1 1170 112 112 ARG HA H 4.365 . 1 1171 112 112 ARG HB2 H 1.872 . 2 1172 112 112 ARG HD2 H 3.277 . 2 1173 112 112 ARG HG2 H 1.650 . 2 1174 112 112 ARG C C 174.650 . 1 1175 112 112 ARG CA C 55.980 . 1 1176 112 112 ARG CB C 31.690 . 1 1177 112 112 ARG CD C 43.786 . 1 1178 112 112 ARG CG C 27.389 . 1 1179 112 112 ARG N N 120.321 . 1 1180 113 113 SER H H 8.119 . 1 1181 113 113 SER HA H 4.806 . 1 1182 113 113 SER HB2 H 3.936 . 2 1183 113 113 SER HB3 H 3.974 . 2 1184 113 113 SER C C 174.962 . 1 1185 113 113 SER CA C 57.390 . 1 1186 113 113 SER CB C 63.640 . 1 1187 113 113 SER N N 114.995 . 1 1188 114 114 VAL H H 7.272 . 1 1189 114 114 VAL HA H 3.999 . 1 1190 114 114 VAL HB H 1.748 . 1 1191 114 114 VAL HG1 H 0.521 . 2 1192 114 114 VAL HG2 H 0.435 . 2 1193 114 114 VAL C C 175.265 . 1 1194 114 114 VAL CA C 62.555 . 1 1195 114 114 VAL CB C 32.668 . 1 1196 114 114 VAL CG1 C 21.363 . 1 1197 114 114 VAL CG2 C 20.661 . 1 1198 114 114 VAL N N 122.176 . 1 1199 115 115 GLY H H 7.818 . 1 1200 115 115 GLY HA2 H 3.742 . 2 1201 115 115 GLY HA3 H 4.265 . 2 1202 115 115 GLY C C 173.860 . 1 1203 115 115 GLY CA C 44.480 . 1 1204 115 115 GLY N N 109.211 . 1 1205 116 116 GLY H H 8.528 . 1 1206 116 116 GLY HA2 H 4.003 . 2 1207 116 116 GLY HA3 H 4.688 . 2 1208 116 116 GLY CA C 44.890 . 1 1209 116 116 GLY N N 109.612 . 1 1210 117 117 PRO HA H 4.529 . 1 1211 117 117 PRO HB2 H 1.940 . 2 1212 117 117 PRO HB3 H 2.314 . 2 1213 117 117 PRO HD2 H 3.771 . 2 1214 117 117 PRO HD3 H 3.839 . 2 1215 117 117 PRO HG2 H 1.738 . 2 1216 117 117 PRO HG3 H 2.233 . 2 1217 117 117 PRO C C 175.258 . 1 1218 117 117 PRO CA C 63.753 . 1 1219 117 117 PRO CB C 32.391 . 1 1220 117 117 PRO CD C 50.075 . 1 1221 117 117 PRO CG C 26.489 . 1 1222 118 118 ILE H H 7.100 . 1 1223 118 118 ILE HA H 3.817 . 1 1224 118 118 ILE HB H 1.700 . 1 1225 118 118 ILE HD1 H -0.153 . 1 1226 118 118 ILE HG12 H 0.361 . 1 1227 118 118 ILE HG13 H 0.937 . 1 1228 118 118 ILE HG2 H 0.833 . 1 1229 118 118 ILE C C 175.763 . 1 1230 118 118 ILE CA C 61.160 . 1 1231 118 118 ILE CB C 37.530 . 1 1232 118 118 ILE CD1 C 12.920 . 1 1233 118 118 ILE CG1 C 27.379 . 2 1234 118 118 ILE CG2 C 17.681 . 1 1235 118 118 ILE N N 117.961 . 1 1236 119 119 GLY H H 9.335 . 1 1237 119 119 GLY HA2 H 3.724 . 2 1238 119 119 GLY HA3 H 4.456 . 2 1239 119 119 GLY CA C 44.010 . 1 1240 119 119 GLY N N 119.218 . 1 1241 120 120 PRO HA H 4.198 . 1 1242 120 120 PRO HB2 H 1.645 . 2 1243 120 120 PRO HB3 H 2.166 . 2 1244 120 120 PRO HD2 H 3.462 . 2 1245 120 120 PRO HD3 H 3.578 . 2 1246 120 120 PRO HG2 H 1.904 . 2 1247 120 120 PRO HG3 H 2.040 . 2 1248 120 120 PRO C C 176.817 . 1 1249 120 120 PRO CA C 62.327 . 1 1250 120 120 PRO CB C 32.761 . 1 1251 120 120 PRO CD C 49.011 . 1 1252 120 120 PRO CG C 26.893 . 1 1253 121 121 ASN H H 8.604 . 1 1254 121 121 ASN HA H 4.064 . 1 1255 121 121 ASN HB2 H 2.847 . 2 1256 121 121 ASN HB3 H 3.134 . 2 1257 121 121 ASN HD21 H 7.755 . 2 1258 121 121 ASN HD22 H 6.948 . 2 1259 121 121 ASN C C 176.820 . 1 1260 121 121 ASN CA C 53.930 . 1 1261 121 121 ASN CB C 36.840 . 1 1262 121 121 ASN N N 116.247 . 1 1263 121 121 ASN ND2 N 112.438 . 1 1264 122 122 GLU H H 8.129 . 1 1265 122 122 GLU HA H 4.436 . 1 1266 122 122 GLU HB2 H 1.902 . 2 1267 122 122 GLU HB3 H 2.035 . 2 1268 122 122 GLU HG2 H 1.942 . 2 1269 122 122 GLU HG3 H 2.112 . 2 1270 122 122 GLU C C 176.750 . 1 1271 122 122 GLU CA C 56.950 . 1 1272 122 122 GLU CB C 31.240 . 1 1273 122 122 GLU CG C 36.675 . 1 1274 122 122 GLU N N 120.004 . 1 1275 123 123 THR H H 8.766 . 1 1276 123 123 THR HA H 4.571 . 1 1277 123 123 THR HB H 4.073 . 1 1278 123 123 THR HG2 H 1.121 . 1 1279 123 123 THR C C 173.453 . 1 1280 123 123 THR CA C 64.210 . 1 1281 123 123 THR CB C 69.700 . 1 1282 123 123 THR CG2 C 23.420 . 1 1283 123 123 THR N N 126.859 . 1 1284 124 124 LEU H H 8.305 . 1 1285 124 124 LEU HA H 5.060 . 1 1286 124 124 LEU HB2 H 1.339 . 2 1287 124 124 LEU HB3 H 1.778 . 2 1288 124 124 LEU HD2 H 0.657 . 2 1289 124 124 LEU HG H 1.198 . 1 1290 124 124 LEU C C 177.925 . 1 1291 124 124 LEU CA C 53.210 . 1 1292 124 124 LEU CB C 47.090 . 1 1293 124 124 LEU CD1 C 26.832 . 1 1294 124 124 LEU CD2 C 23.258 . 1 1295 124 124 LEU CG C 26.892 . 1 1296 124 124 LEU N N 123.643 . 1 1297 125 125 ILE H H 8.479 . 1 1298 125 125 ILE HA H 5.146 . 1 1299 125 125 ILE HB H 1.571 . 1 1300 125 125 ILE HD1 H 0.711 . 1 1301 125 125 ILE HG12 H 1.120 . 1 1302 125 125 ILE HG13 H 1.430 . 1 1303 125 125 ILE HG2 H 0.618 . 2 1304 125 125 ILE C C 175.822 . 1 1305 125 125 ILE CA C 60.340 . 1 1306 125 125 ILE CB C 40.280 . 1 1307 125 125 ILE CD1 C 17.246 . 1 1308 125 125 ILE CG1 C 28.274 . 1 1309 125 125 ILE CG2 C 15.353 . 1 1310 125 125 ILE N N 121.111 . 1 1311 126 126 PHE H H 9.016 . 1 1312 126 126 PHE HA H 6.069 . 1 1313 126 126 PHE HB2 H 2.713 . 2 1314 126 126 PHE HB3 H 2.865 . 2 1315 126 126 PHE HD1 H 7.670 . 3 1316 126 126 PHE HE1 H 8.027 . 3 1317 126 126 PHE HZ H 7.569 . 1 1318 126 126 PHE C C 174.346 . 1 1319 126 126 PHE CA C 55.230 . 1 1320 126 126 PHE CB C 42.960 . 1 1321 126 126 PHE CE1 C 132.880 . 3 1322 126 126 PHE CZ C 130.787 . 1 1323 126 126 PHE N N 120.400 . 1 1324 127 127 LYS H H 8.977 . 1 1325 127 127 LYS HA H 5.144 . 1 1326 127 127 LYS HB2 H 1.840 . 2 1327 127 127 LYS HB3 H 1.956 . 2 1328 127 127 LYS HD2 H 1.718 . 2 1329 127 127 LYS HG2 H 1.310 . 2 1330 127 127 LYS C C 175.836 . 1 1331 127 127 LYS CA C 56.160 . 1 1332 127 127 LYS CB C 34.050 . 1 1333 127 127 LYS CD C 29.451 . 1 1334 127 127 LYS CE C 41.783 . 1 1335 127 127 LYS CG C 25.561 . 1 1336 127 127 LYS N N 125.053 . 1 1337 128 128 ILE H H 9.389 . 1 1338 128 128 ILE HA H 4.749 . 1 1339 128 128 ILE HB H 1.340 . 1 1340 128 128 ILE HD1 H 0.474 . 1 1341 128 128 ILE HG12 H 0.282 . 1 1342 128 128 ILE HG13 H 1.207 . 1 1343 128 128 ILE C C 173.873 . 1 1344 128 128 ILE CA C 60.940 . 1 1345 128 128 ILE CB C 42.340 . 1 1346 128 128 ILE CD1 C 16.292 . 1 1347 128 128 ILE CG1 C 27.101 . 1 1348 128 128 ILE N N 125.671 . 1 1349 129 129 HIS H H 9.329 . 1 1350 129 129 HIS HA H 5.824 . 1 1351 129 129 HIS HB2 H 3.089 . 2 1352 129 129 HIS HB3 H 3.317 . 2 1353 129 129 HIS HD2 H 6.733 . 1 1354 129 129 HIS HE1 H 8.432 . 1 1355 129 129 HIS HE2 H 8.651 . 1 1356 129 129 HIS C C 173.935 . 1 1357 129 129 HIS CA C 52.030 . 1 1358 129 129 HIS CB C 31.300 . 1 1359 129 129 HIS CD2 C 119.384 . 1 1360 129 129 HIS CE1 C 136.905 . 1 1361 129 129 HIS N N 126.062 . 1 1362 130 130 LEU H H 8.597 . 1 1363 130 130 LEU HA H 4.449 . 1 1364 130 130 LEU HB2 H 1.039 . 2 1365 130 130 LEU HB3 H 1.853 . 2 1366 130 130 LEU HD1 H 0.643 . 2 1367 130 130 LEU HD2 H 0.830 . 2 1368 130 130 LEU HG H 1.163 . 1 1369 130 130 LEU C C 173.822 . 1 1370 130 130 LEU CA C 54.390 . 1 1371 130 130 LEU CB C 42.200 . 1 1372 130 130 LEU CD1 C 26.686 . 1 1373 130 130 LEU CD2 C 24.637 . 1 1374 130 130 LEU CG C 28.284 . 1 1375 130 130 LEU N N 129.566 . 1 1376 131 131 ILE H H 8.639 . 1 1377 131 131 ILE HA H 3.535 . 1 1378 131 131 ILE HB H 1.411 . 1 1379 131 131 ILE HD1 H 0.643 . 1 1380 131 131 ILE HG12 H 0.457 . 1 1381 131 131 ILE HG13 H 1.057 . 1 1382 131 131 ILE HG2 H 0.784 . 1 1383 131 131 ILE C C 176.506 . 1 1384 131 131 ILE CA C 63.940 . 1 1385 131 131 ILE CB C 38.720 . 1 1386 131 131 ILE CD1 C 13.518 . 1 1387 131 131 ILE CG1 C 27.516 . 1 1388 131 131 ILE CG2 C 16.646 . 1 1389 131 131 ILE N N 129.636 . 1 1390 132 132 SER H H 7.480 . 1 1391 132 132 SER HA H 4.628 . 1 1392 132 132 SER HB2 H 3.749 . 2 1393 132 132 SER HB3 H 3.793 . 2 1394 132 132 SER C C 171.100 . 1 1395 132 132 SER CA C 57.020 . 1 1396 132 132 SER CB C 65.330 . 1 1397 132 132 SER N N 108.640 . 1 1398 133 133 VAL H H 8.356 . 1 1399 133 133 VAL HA H 4.522 . 1 1400 133 133 VAL HB H 1.700 . 1 1401 133 133 VAL HG1 H 0.762 . 2 1402 133 133 VAL HG2 H 0.852 . 2 1403 133 133 VAL C C 174.294 . 1 1404 133 133 VAL CA C 60.950 . 1 1405 133 133 VAL CB C 35.180 . 1 1406 133 133 VAL CG1 C 21.178 . 1 1407 133 133 VAL CG2 C 22.239 . 1 1408 133 133 VAL N N 120.422 . 1 1409 134 134 LYS H H 9.142 . 1 1410 134 134 LYS HA H 4.614 . 1 1411 134 134 LYS HB2 H 1.590 . 2 1412 134 134 LYS HB3 H 1.730 . 2 1413 134 134 LYS HD2 H 1.605 . 2 1414 134 134 LYS HE2 H 2.907 . 2 1415 134 134 LYS HG2 H 1.303 . 2 1416 134 134 LYS C C 175.130 . 1 1417 134 134 LYS CA C 54.800 . 1 1418 134 134 LYS CB C 34.550 . 1 1419 134 134 LYS CD C 29.230 . 1 1420 134 134 LYS CE C 42.100 . 1 1421 134 134 LYS CG C 24.373 . 1 1422 134 134 LYS N N 129.051 . 1 1423 135 135 LYS H H 8.623 . 1 1424 135 135 LYS HA H 4.385 . 1 1425 135 135 LYS HB2 H 1.757 . 2 1426 135 135 LYS HB3 H 1.875 . 2 1427 135 135 LYS HD2 H 1.689 . 2 1428 135 135 LYS HE2 H 2.942 . 2 1429 135 135 LYS HE3 H 3.053 . 2 1430 135 135 LYS HG2 H 1.492 . 2 1431 135 135 LYS HG3 H 1.492 . 2 1432 135 135 LYS C C 177.413 . 1 1433 135 135 LYS CA C 55.970 . 1 1434 135 135 LYS CB C 32.730 . 1 1435 135 135 LYS CD C 28.497 . 1 1436 135 135 LYS CE C 41.854 . 1 1437 135 135 LYS CG C 24.553 . 1 1438 135 135 LYS N N 126.473 . 1 1439 136 136 SER H H 8.751 . 1 1440 136 136 SER HA H 4.464 . 1 1441 136 136 SER HB2 H 3.938 . 2 1442 136 136 SER HB3 H 3.938 . 2 1443 136 136 SER C C 173.733 . 1 1444 136 136 SER CA C 58.600 . 1 1445 136 136 SER CB C 63.970 . 1 1446 136 136 SER N N 119.164 . 1 1447 137 137 SER H H 7.954 . 1 1448 137 137 SER HA H 4.474 . 1 1449 137 137 SER HB2 H 3.940 . 2 1450 137 137 SER CA C 60.015 . 1 1451 137 137 SER CB C 64.747 . 1 1452 137 137 SER N N 123.079 . 1 stop_ save_