data_19034 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; NMR Structure of the third RNA Recognition Motif (RRM) of U2 small nuclear ribonucleoprotein auxiliary factor (U2AF) 2 ; _BMRB_accession_number 19034 _BMRB_flat_file_name bmr19034.str _Entry_type original _Submission_date 2013-02-12 _Accession_date 2013-02-12 _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 Dutta Samit K. . 2 Serrano Pedro . . 3 Geralt Michael . . 4 Wuthrich Kurt . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 607 "13C chemical shifts" 367 "15N chemical shifts" 102 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2013-03-21 original author . stop_ loop_ _Related_BMRB_accession_number _Relationship 19012 'hypothetical protein BT_0846 from Bacteroides thetaiotaomicron VPI-5482 (NP_809759.1)' 19033 'SH3 domain of human RAS GAP 1' stop_ _Original_release_date 2013-03-21 save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title 'NMR Structure of the third RNA Recognition Motif (RRM) of U2 small nuclear ribonucleoprotein auxiliary factor (U2AF) 2' _Citation_status 'in preparation' _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID ? loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Dutta Samit K. . 2 Serrano Pedro . . 3 Geralt Michael . . 4 Wuthrich Kurt . . stop_ _Journal_abbreviation 'Not known' _Journal_volume . _Journal_issue . _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first . _Page_last . _Year . _Details . save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name 'third RNA Recognition Motif (RRM) of U2 small nuclear ribonucleoprotein auxiliary factor (U2AF) 2' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label U2AF $U2AF stop_ _System_molecular_weight . _System_physical_state native _System_oligomer_state ? _System_paramagnetic no _System_thiol_state . _Database_query_date . _Details . save_ ######################## # Monomeric polymers # ######################## save_U2AF _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common U2AF _Molecular_mass 12033.749 _Mol_thiol_state 'all free' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 105 _Mol_residue_sequence ; GGHPTEVLCLMNMVLPEELL DDEEYEEIVEDVRDECSKYG LVKSIEIPRPVDGVEVPGCG KIFVEFTSVFDCQKAMQGLT GRKFANRVVVTKYCDPDSYH RRDFW ; loop_ _Residue_seq_code _Residue_author_seq_code _Residue_label 1 1 GLY 2 2 GLY 3 3 HIS 4 4 PRO 5 5 THR 6 6 GLU 7 7 VAL 8 8 LEU 9 9 CYS 10 10 LEU 11 11 MET 12 12 ASN 13 13 MET 14 14 VAL 15 15 LEU 16 16 PRO 17 17 GLU 18 18 GLU 19 19 LEU 20 20 LEU 21 21 ASP 22 22 ASP 23 23 GLU 24 24 GLU 25 25 TYR 26 26 GLU 27 27 GLU 28 28 ILE 29 29 VAL 30 30 GLU 31 31 ASP 32 32 VAL 33 33 ARG 34 34 ASP 35 35 GLU 36 36 CYS 37 37 SER 38 38 LYS 39 39 TYR 40 40 GLY 41 41 LEU 42 42 VAL 43 43 LYS 44 44 SER 45 45 ILE 46 46 GLU 47 47 ILE 48 48 PRO 49 49 ARG 50 50 PRO 51 51 VAL 52 52 ASP 53 53 GLY 54 54 VAL 55 55 GLU 56 56 VAL 57 57 PRO 58 58 GLY 59 59 CYS 60 60 GLY 61 61 LYS 62 62 ILE 63 63 PHE 64 64 VAL 65 65 GLU 66 66 PHE 67 67 THR 68 68 SER 69 69 VAL 70 70 PHE 71 71 ASP 72 72 CYS 73 73 GLN 74 74 LYS 75 75 ALA 76 76 MET 77 77 GLN 78 78 GLY 79 79 LEU 80 80 THR 81 81 GLY 82 82 ARG 83 83 LYS 84 84 PHE 85 85 ALA 86 86 ASN 87 87 ARG 88 88 VAL 89 89 VAL 90 90 VAL 91 91 THR 92 92 LYS 93 93 TYR 94 94 CYS 95 95 ASP 96 96 PRO 97 97 ASP 98 98 SER 99 99 TYR 100 100 HIS 101 101 ARG 102 102 ARG 103 103 ASP 104 104 PHE 105 105 TRP stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2015-11-04 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 1O0P "Solution Structure Of The Third Rna Recognition Motif (Rrm) Of U2af65 In Complex With An N-Terminal Sf1 Peptide" 98.10 104 100.00 100.00 2.32e-68 PDB 1OPI "Solution Structure Of The Third Rna Recognition Motif (Rrm) Of U2af65 In Complex With An N-Terminal Sf1 Peptide" 99.05 104 100.00 100.00 3.59e-69 PDB 2M0G "Structure, Phosphorylation And U2af65 Binding Of The Nterminal Domain Of Splicing Factor 1 During 3 Splice Site Recognition" 99.05 104 100.00 100.00 3.59e-69 PDB 2M52 "Nmr Structure Of The Third Rna Recognition Motif (rrm) Of U2 Small Nuclear Ribonucleoprotein Auxiliary Factor (u2af) 2" 100.00 105 100.00 100.00 4.87e-70 PDB 3V4M "Crystal Structure Of A Rna Binding Domain Of A U2 Small Nuclear Ribonucleoprotein Auxiliary Factor 2 (u2af) From Mus Musculus A" 100.00 105 97.14 97.14 5.02e-67 PDB 4FXW "Structure Of Phosphorylated Sf1 Complex With U2af65-uhm Domain" 96.19 106 97.03 97.03 4.31e-63 PDB 4Z2X "Crystal Structure Of A Rna Binding Domain Of A U2 Small Nuclear Ribonucleoprotein Auxiliary Factor 2 (u2af) From Mouse At 2.15 " 100.00 105 100.00 100.00 4.87e-70 DBJ BAC37309 "unnamed protein product [Mus musculus]" 100.00 475 100.00 100.00 9.23e-69 DBJ BAG70075 "U2 small nuclear RNA auxiliary factor 2 isoform b [Homo sapiens]" 100.00 471 100.00 100.00 8.51e-69 DBJ BAG70201 "U2 small nuclear RNA auxiliary factor 2 isoform b [Homo sapiens]" 100.00 471 100.00 100.00 8.51e-69 DBJ BAI45669 "U2 small nuclear RNA auxiliary factor 2 [synthetic construct]" 100.00 471 100.00 100.00 8.42e-69 EMBL CAA45409 "splicing factor U2AF [Homo sapiens]" 100.00 475 100.00 100.00 9.14e-69 EMBL CAA45874 "splicing factor U2AF [Mus musculus]" 100.00 475 100.00 100.00 9.23e-69 EMBL CAA45875 "unnamed protein product [Mus musculus]" 100.00 492 100.00 100.00 1.05e-68 GB AAH07487 "U2 small nuclear ribonucleoprotein auxiliary factor (U2AF) 2 [Mus musculus]" 100.00 306 100.00 100.00 2.64e-70 GB AAH08740 "U2 small nuclear RNA auxiliary factor 2 [Homo sapiens]" 100.00 471 100.00 100.00 8.42e-69 GB AAH30574 "U2 small nuclear RNA auxiliary factor 2 [Homo sapiens]" 100.00 471 100.00 100.00 8.42e-69 GB AAH43071 "U2af2 protein [Mus musculus]" 100.00 471 100.00 100.00 8.42e-69 GB AAH89996 "U2af2 protein, partial [Rattus norvegicus]" 83.81 88 100.00 100.00 3.64e-56 PRF 1805352A "splicing factor U2AF:SUBUNIT=large" 100.00 475 100.00 100.00 9.04e-69 REF NP_001012496 "splicing factor U2AF 65 kDa subunit isoform b [Homo sapiens]" 100.00 471 100.00 100.00 8.42e-69 REF NP_001068804 "splicing factor U2AF 65 kDa subunit [Bos taurus]" 100.00 475 99.05 99.05 4.98e-68 REF NP_001192160 "splicing factor U2AF 65 kDa subunit isoform 1 [Mus musculus]" 100.00 475 100.00 100.00 9.23e-69 REF NP_001302733 "U2 small nuclear RNA auxiliary factor 2 [Sus scrofa]" 100.00 471 100.00 100.00 8.42e-69 REF NP_009210 "splicing factor U2AF 65 kDa subunit isoform a [Homo sapiens]" 100.00 475 100.00 100.00 9.14e-69 SP P26368 "RecName: Full=Splicing factor U2AF 65 kDa subunit; AltName: Full=U2 auxiliary factor 65 kDa subunit; Short=hU2AF(65); Short=hU2" 100.00 475 100.00 100.00 9.14e-69 SP P26369 "RecName: Full=Splicing factor U2AF 65 kDa subunit; AltName: Full=U2 auxiliary factor 65 kDa subunit; AltName: Full=U2 snRNP aux" 100.00 475 100.00 100.00 9.23e-69 TPG DAA19368 "TPA: U2 (RNU2) small nuclear RNA auxiliary factor 2 [Bos taurus]" 100.00 475 99.05 99.05 4.98e-68 stop_ save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species $U2AF 'House mouse' 10090 Eukaryota Metazoa Mus musculus 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 $U2AF 'recombinant technology' . Escherichia coli Bl21 PspeedET stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $U2AF 1.2 mM '[U-98% 13C; U-98% 15N]' 'sodium phosphate' 20 mM 'natural abundance' 'sodium chloride' 100 mM 'natural abundance' 'sodium azide' 5 mM 'natural abundance' DTT 8 mM 'natural abundance' H2O 90 % 'natural abundance' D2O 10 % 'natural abundance' stop_ save_ ############################ # Computer software used # ############################ save_CYANA _Saveframe_category software _Name CYANA _Version . loop_ _Vendor _Address _Electronic_address 'G ntert P.' . . stop_ loop_ _Task 'structure solution' stop_ _Details . save_ save_OPAL _Saveframe_category software _Name OPAL _Version . loop_ _Vendor _Address _Electronic_address 'Luginbuhl, Guntert, Billeter and Wuthrich' . . stop_ loop_ _Task refinement stop_ _Details . save_ save_TOPSPIN _Saveframe_category software _Name TOPSPIN _Version 3.1 loop_ _Vendor _Address _Electronic_address 'Bruker Biospin' . . stop_ loop_ _Task collection processing stop_ _Details . save_ save_CARA _Saveframe_category software _Name CARA _Version . loop_ _Vendor _Address _Electronic_address 'Keller and Wuthrich' . . stop_ loop_ _Task 'chemical shift assignment' 'data analysis' stop_ _Details . save_ save_j-UNIO _Saveframe_category software _Name j-UNIO _Version . loop_ _Vendor _Address _Electronic_address 'Herrmann, Guntert and Wuthrich' . . stop_ loop_ _Task 'chemical shift assignment' 'peak picking' 'structure solution' stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _Field_strength 600 _Details . save_ save_spectrometer_2 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _Field_strength 800 _Details . save_ ############################# # NMR applied experiments # ############################# save_2D_1H-15N_HSQC_1 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N HSQC' _Sample_label $sample_1 save_ save_4D-HACANH-APSY_2 _Saveframe_category NMR_applied_experiment _Experiment_name 4D-HACANH-APSY _Sample_label $sample_1 save_ save_5D-CBCACONH-APSY_3 _Saveframe_category NMR_applied_experiment _Experiment_name 5D-CBCACONH-APSY _Sample_label $sample_1 save_ save_5D-HACACONH-APSY_4 _Saveframe_category NMR_applied_experiment _Experiment_name 5D-HACACONH-APSY _Sample_label $sample_1 save_ save_3D_1H-13C_NOESY_aliphatic_5 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-13C NOESY aliphatic' _Sample_label $sample_1 save_ save_3D_1H-13C_NOESY_aliphatic_6 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-13C NOESY aliphatic' _Sample_label $sample_1 save_ save_3D_1H-13C_NOESY_aromatic_7 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-13C NOESY aromatic' _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' 0.1298 . M pH 6.0 . pH pressure 1 . atm temperature 298 . K stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_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 DSS C 13 'methyl protons' ppm 0.00 na indirect . . . 0.251449530 DSS H 1 'methyl protons' ppm 0.00 internal direct . . . 1.000000000 DSS N 15 'methyl protons' ppm 0.00 na indirect . . . 0.101329118 DSS P 31 'methyl protons' ppm 0.00 na indirect . . . 0.404808636 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_1 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Experiment_label '2D 1H-15N HSQC' 4D-HACANH-APSY 5D-CBCACONH-APSY 5D-HACACONH-APSY '3D 1H-13C NOESY aliphatic' '3D 1H-13C NOESY aromatic' stop_ loop_ _Sample_label $sample_1 stop_ _Sample_conditions_label $sample_conditions_1 _Chem_shift_reference_set_label $chemical_shift_reference_1 _Mol_system_component_name U2AF _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 GLY HA2 H 4.006 0.006 2 2 2 2 GLY HA3 H 4.006 0.006 2 3 2 2 GLY CA C 42.457 0.156 1 4 3 3 HIS H H 8.079 0.006 1 5 3 3 HIS HA H 4.833 0.006 1 6 3 3 HIS HB2 H 3.091 0.006 2 7 3 3 HIS HB3 H 2.992 0.006 2 8 3 3 HIS HD2 H 7.100 0.006 1 9 3 3 HIS HE1 H 8.336 0.006 1 10 3 3 HIS CA C 50.518 0.156 1 11 3 3 HIS CB C 26.412 0.156 1 12 3 3 HIS CD2 C 118.006 0.156 1 13 3 3 HIS CE1 C 134.435 0.156 1 14 3 3 HIS N N 118.891 0.125 1 15 4 4 PRO HA H 2.016 0.006 1 16 4 4 PRO HB2 H 1.293 0.006 2 17 4 4 PRO HB3 H 1.618 0.006 2 18 4 4 PRO HG2 H 1.620 0.006 2 19 4 4 PRO HG3 H 1.734 0.006 2 20 4 4 PRO HD2 H 3.700 0.006 2 21 4 4 PRO HD3 H 3.280 0.006 2 22 4 4 PRO CA C 59.967 0.156 1 23 4 4 PRO CB C 29.938 0.156 1 24 4 4 PRO CG C 25.031 0.156 1 25 4 4 PRO CD C 47.739 0.156 1 26 5 5 THR H H 6.242 0.006 1 27 5 5 THR HA H 4.430 0.006 1 28 5 5 THR HB H 4.399 0.006 1 29 5 5 THR HG2 H 1.137 0.006 1 30 5 5 THR CA C 56.748 0.156 1 31 5 5 THR CB C 69.859 0.156 1 32 5 5 THR CG2 C 19.049 0.156 1 33 5 5 THR N N 113.236 0.125 1 34 6 6 GLU H H 10.185 0.006 1 35 6 6 GLU HA H 4.175 0.006 1 36 6 6 GLU HB2 H 2.158 0.006 2 37 6 6 GLU HB3 H 1.950 0.006 2 38 6 6 GLU HG2 H 2.263 0.006 2 39 6 6 GLU HG3 H 2.263 0.006 2 40 6 6 GLU CA C 55.424 0.156 1 41 6 6 GLU CB C 26.129 0.156 1 42 6 6 GLU CG C 34.395 0.156 1 43 6 6 GLU N N 114.417 0.125 1 44 7 7 VAL H H 8.270 0.006 1 45 7 7 VAL HA H 5.038 0.006 1 46 7 7 VAL HB H 1.795 0.006 1 47 7 7 VAL HG1 H 0.268 0.006 2 48 7 7 VAL HG2 H 0.422 0.006 2 49 7 7 VAL CA C 58.276 0.156 1 50 7 7 VAL CB C 30.522 0.156 1 51 7 7 VAL CG1 C 18.492 0.156 2 52 7 7 VAL CG2 C 18.443 0.156 2 53 7 7 VAL N N 119.290 0.125 1 54 8 8 LEU H H 9.316 0.006 1 55 8 8 LEU HA H 4.641 0.006 1 56 8 8 LEU HB2 H 1.827 0.006 2 57 8 8 LEU HB3 H 1.953 0.006 2 58 8 8 LEU HG H 1.335 0.006 1 59 8 8 LEU HD1 H 0.566 0.006 2 60 8 8 LEU HD2 H 0.681 0.006 2 61 8 8 LEU CA C 49.788 0.156 1 62 8 8 LEU CB C 43.885 0.156 1 63 8 8 LEU CG C 24.557 0.156 1 64 8 8 LEU CD1 C 21.087 0.156 2 65 8 8 LEU CD2 C 24.423 0.156 2 66 8 8 LEU N N 130.138 0.125 1 67 9 9 CYS H H 8.902 0.006 1 68 9 9 CYS HA H 5.039 0.006 1 69 9 9 CYS HB2 H 2.452 0.006 2 70 9 9 CYS HB3 H 2.421 0.006 2 71 9 9 CYS CA C 53.248 0.156 1 72 9 9 CYS CB C 26.228 0.156 1 73 9 9 CYS N N 123.769 0.125 1 74 10 10 LEU H H 9.203 0.006 1 75 10 10 LEU HA H 4.584 0.006 1 76 10 10 LEU HB2 H 1.573 0.006 2 77 10 10 LEU HB3 H 1.138 0.006 2 78 10 10 LEU HG H 1.270 0.006 1 79 10 10 LEU HD1 H 0.570 0.006 2 80 10 10 LEU HD2 H 0.591 0.006 2 81 10 10 LEU CA C 51.368 0.156 1 82 10 10 LEU CB C 40.709 0.156 1 83 10 10 LEU CG C 24.973 0.156 1 84 10 10 LEU CD1 C 23.080 0.156 2 85 10 10 LEU CD2 C 23.447 0.156 2 86 10 10 LEU N N 127.313 0.125 1 87 11 11 MET H H 9.161 0.006 1 88 11 11 MET HA H 4.481 0.006 1 89 11 11 MET HB2 H 1.959 0.006 2 90 11 11 MET HB3 H 1.778 0.006 2 91 11 11 MET HG2 H 2.165 0.006 2 92 11 11 MET HG3 H 2.282 0.006 2 93 11 11 MET HE H 1.794 0.006 1 94 11 11 MET CA C 52.655 0.156 1 95 11 11 MET CB C 33.156 0.156 1 96 11 11 MET CG C 30.506 0.156 1 97 11 11 MET CE C 14.427 0.156 1 98 11 11 MET N N 124.158 0.125 1 99 12 12 ASN H H 8.842 0.006 1 100 12 12 ASN HA H 4.281 0.006 1 101 12 12 ASN HB2 H 3.113 0.006 2 102 12 12 ASN HB3 H 3.113 0.006 2 103 12 12 ASN HD21 H 6.918 0.006 1 104 12 12 ASN HD22 H 7.625 0.006 1 105 12 12 ASN CA C 51.685 0.156 1 106 12 12 ASN CB C 35.314 0.156 1 107 12 12 ASN N N 114.067 0.125 1 108 12 12 ASN ND2 N 112.266 0.125 1 109 13 13 MET H H 8.519 0.006 1 110 13 13 MET HA H 3.952 0.006 1 111 13 13 MET HB2 H 1.421 0.006 2 112 13 13 MET HB3 H 1.729 0.006 2 113 13 13 MET HG2 H 1.800 0.006 2 114 13 13 MET HG3 H 1.800 0.006 2 115 13 13 MET HE H 1.343 0.006 1 116 13 13 MET CA C 55.132 0.156 1 117 13 13 MET CB C 31.944 0.156 1 118 13 13 MET CG C 30.185 0.156 1 119 13 13 MET CE C 14.424 0.156 1 120 13 13 MET N N 118.202 0.125 1 121 14 14 VAL H H 6.949 0.006 1 122 14 14 VAL HA H 4.452 0.006 1 123 14 14 VAL HB H 1.844 0.006 1 124 14 14 VAL HG1 H 0.688 0.006 2 125 14 14 VAL HG2 H 0.668 0.006 2 126 14 14 VAL CA C 55.821 0.156 1 127 14 14 VAL CB C 32.754 0.156 1 128 14 14 VAL CG1 C 19.145 0.156 2 129 14 14 VAL CG2 C 17.027 0.156 2 130 14 14 VAL N N 110.436 0.125 1 131 15 15 LEU H H 8.346 0.006 1 132 15 15 LEU HA H 4.779 0.006 1 133 15 15 LEU HB2 H 1.640 0.006 2 134 15 15 LEU HB3 H 1.348 0.006 2 135 15 15 LEU HG H 1.468 0.006 1 136 15 15 LEU HD1 H 0.780 0.006 2 137 15 15 LEU HD2 H 0.807 0.006 2 138 15 15 LEU CA C 48.881 0.156 1 139 15 15 LEU CB C 39.500 0.156 1 140 15 15 LEU CG C 24.466 0.156 1 141 15 15 LEU CD1 C 19.720 0.156 2 142 15 15 LEU CD2 C 23.050 0.156 2 143 15 15 LEU N N 123.248 0.125 1 144 16 16 PRO HA H 3.883 0.006 1 145 16 16 PRO HB2 H 1.901 0.006 2 146 16 16 PRO HG2 H 1.758 0.006 2 147 16 16 PRO HG3 H 2.187 0.006 2 148 16 16 PRO HD2 H 3.779 0.006 2 149 16 16 PRO CA C 56.106 0.156 1 150 16 16 PRO CB C 29.513 0.156 1 151 16 16 PRO CG C 25.452 0.156 1 152 16 16 PRO CD C 47.384 0.156 1 153 17 17 GLU H H 7.754 0.006 1 154 17 17 GLU HA H 4.111 0.006 1 155 17 17 GLU HB2 H 2.313 0.006 2 156 17 17 GLU HB3 H 2.313 0.006 2 157 17 17 GLU HG2 H 2.150 0.006 2 158 17 17 GLU HG3 H 2.321 0.006 2 159 17 17 GLU CA C 54.495 0.156 1 160 17 17 GLU CB C 26.888 0.156 1 161 17 17 GLU CG C 34.903 0.156 1 162 17 17 GLU N N 119.496 0.125 1 163 18 18 GLU H H 8.975 0.006 1 164 18 18 GLU HA H 3.978 0.006 1 165 18 18 GLU HB2 H 2.006 0.006 2 166 18 18 GLU HB3 H 2.006 0.006 2 167 18 18 GLU HG2 H 2.182 0.006 2 168 18 18 GLU HG3 H 2.182 0.006 2 169 18 18 GLU CA C 56.285 0.156 1 170 18 18 GLU CB C 26.076 0.156 1 171 18 18 GLU CG C 33.847 0.156 1 172 18 18 GLU N N 112.697 0.125 1 173 19 19 LEU H H 7.266 0.006 1 174 19 19 LEU HA H 4.419 0.006 1 175 19 19 LEU HB2 H 1.867 0.006 2 176 19 19 LEU HB3 H 1.630 0.006 2 177 19 19 LEU HG H 1.769 0.006 1 178 19 19 LEU HD1 H 0.862 0.006 2 179 19 19 LEU HD2 H 0.967 0.006 2 180 19 19 LEU CA C 50.949 0.156 1 181 19 19 LEU CB C 40.343 0.156 1 182 19 19 LEU CG C 23.586 0.156 1 183 19 19 LEU CD1 C 20.194 0.156 2 184 19 19 LEU CD2 C 24.353 0.156 2 185 19 19 LEU N N 113.096 0.125 1 186 20 20 LEU H H 7.102 0.006 1 187 20 20 LEU HA H 4.038 0.006 1 188 20 20 LEU HB2 H 1.492 0.006 2 189 20 20 LEU HB3 H 1.644 0.006 2 190 20 20 LEU HG H 1.620 0.006 1 191 20 20 LEU HD1 H 0.752 0.006 2 192 20 20 LEU HD2 H 0.880 0.006 2 193 20 20 LEU CA C 54.002 0.156 1 194 20 20 LEU CB C 40.266 0.156 1 195 20 20 LEU CG C 24.834 0.156 1 196 20 20 LEU CD1 C 20.741 0.156 2 197 20 20 LEU CD2 C 22.741 0.156 2 198 20 20 LEU N N 119.130 0.125 1 199 21 21 ASP H H 8.071 0.006 1 200 21 21 ASP HA H 4.607 0.006 1 201 21 21 ASP HB2 H 2.768 0.006 2 202 21 21 ASP HB3 H 2.545 0.006 2 203 21 21 ASP CA C 50.806 0.156 1 204 21 21 ASP CB C 40.567 0.156 1 205 21 21 ASP N N 120.713 0.125 1 206 22 22 ASP H H 8.835 0.006 1 207 22 22 ASP HA H 4.242 0.006 1 208 22 22 ASP HB2 H 2.769 0.006 2 209 22 22 ASP HB3 H 2.663 0.006 2 210 22 22 ASP CA C 55.650 0.156 1 211 22 22 ASP CB C 38.083 0.156 1 212 22 22 ASP N N 126.353 0.125 1 213 23 23 GLU H H 8.177 0.006 1 214 23 23 GLU HA H 4.066 0.006 1 215 23 23 GLU HB2 H 2.037 0.006 2 216 23 23 GLU HB3 H 2.100 0.006 2 217 23 23 GLU HG2 H 2.330 0.006 2 218 23 23 GLU HG3 H 2.238 0.006 2 219 23 23 GLU CA C 56.840 0.156 1 220 23 23 GLU CB C 26.412 0.156 1 221 23 23 GLU CG C 34.045 0.156 1 222 23 23 GLU N N 119.623 0.125 1 223 24 24 GLU H H 8.218 0.006 1 224 24 24 GLU HA H 3.996 0.006 1 225 24 24 GLU HB2 H 2.103 0.006 2 226 24 24 GLU HB3 H 2.032 0.006 2 227 24 24 GLU HG2 H 2.514 0.006 2 228 24 24 GLU HG3 H 2.454 0.006 2 229 24 24 GLU CA C 56.361 0.156 1 230 24 24 GLU CB C 26.457 0.156 1 231 24 24 GLU CG C 32.739 0.156 1 232 24 24 GLU N N 121.959 0.125 1 233 25 25 TYR H H 8.694 0.006 1 234 25 25 TYR HA H 3.951 0.006 1 235 25 25 TYR HB2 H 3.024 0.006 2 236 25 25 TYR HB3 H 3.024 0.006 2 237 25 25 TYR HD1 H 6.997 0.006 1 238 25 25 TYR HD2 H 6.997 0.006 1 239 25 25 TYR HE1 H 6.724 0.006 1 240 25 25 TYR HE2 H 6.724 0.006 1 241 25 25 TYR CA C 59.647 0.156 1 242 25 25 TYR CB C 36.005 0.156 1 243 25 25 TYR CD1 C 130.278 0.156 1 244 25 25 TYR CD2 C 130.278 0.156 1 245 25 25 TYR CE1 C 115.694 0.156 1 246 25 25 TYR CE2 C 115.694 0.156 1 247 25 25 TYR N N 119.522 0.125 1 248 26 26 GLU H H 7.852 0.006 1 249 26 26 GLU HA H 3.702 0.006 1 250 26 26 GLU HB2 H 2.047 0.006 2 251 26 26 GLU HB3 H 2.083 0.006 2 252 26 26 GLU HG2 H 2.448 0.006 2 253 26 26 GLU HG3 H 2.517 0.006 2 254 26 26 GLU CA C 56.329 0.156 1 255 26 26 GLU CB C 26.178 0.156 1 256 26 26 GLU CG C 32.995 0.156 1 257 26 26 GLU N N 116.410 0.125 1 258 27 27 GLU H H 7.555 0.006 1 259 27 27 GLU HA H 3.921 0.006 1 260 27 27 GLU HB2 H 2.095 0.006 2 261 27 27 GLU HB3 H 2.022 0.006 2 262 27 27 GLU HG2 H 2.454 0.006 2 263 27 27 GLU HG3 H 2.265 0.006 2 264 27 27 GLU CA C 56.445 0.156 1 265 27 27 GLU CB C 26.240 0.156 1 266 27 27 GLU CG C 32.930 0.156 1 267 27 27 GLU N N 118.895 0.125 1 268 28 28 ILE H H 7.918 0.006 1 269 28 28 ILE HA H 3.642 0.006 1 270 28 28 ILE HB H 1.833 0.006 1 271 28 28 ILE HG12 H 1.019 0.006 1 272 28 28 ILE HG13 H 1.670 0.006 1 273 28 28 ILE HG2 H 0.609 0.006 1 274 28 28 ILE HD1 H 0.749 0.006 1 275 28 28 ILE CA C 62.355 0.156 1 276 28 28 ILE CB C 35.066 0.156 1 277 28 28 ILE CG1 C 27.031 0.156 1 278 28 28 ILE CG2 C 14.601 0.156 1 279 28 28 ILE CD1 C 11.595 0.156 1 280 28 28 ILE N N 121.720 0.125 1 281 29 29 VAL H H 7.832 0.006 1 282 29 29 VAL HA H 3.035 0.006 1 283 29 29 VAL HB H 1.830 0.006 1 284 29 29 VAL HG1 H 0.687 0.006 2 285 29 29 VAL HG2 H 0.397 0.006 2 286 29 29 VAL CA C 64.607 0.156 1 287 29 29 VAL CB C 29.064 0.156 1 288 29 29 VAL CG1 C 18.877 0.156 2 289 29 29 VAL CG2 C 19.934 0.156 2 290 29 29 VAL N N 119.336 0.125 1 291 30 30 GLU H H 7.405 0.006 1 292 30 30 GLU HA H 3.877 0.006 1 293 30 30 GLU HB2 H 1.976 0.006 2 294 30 30 GLU HB3 H 2.027 0.006 2 295 30 30 GLU HG2 H 2.371 0.006 2 296 30 30 GLU HG3 H 2.307 0.006 2 297 30 30 GLU CA C 56.061 0.156 1 298 30 30 GLU CB C 26.111 0.156 1 299 30 30 GLU CG C 32.880 0.156 1 300 30 30 GLU N N 116.291 0.125 1 301 31 31 ASP H H 8.471 0.006 1 302 31 31 ASP HA H 4.374 0.006 1 303 31 31 ASP HB2 H 2.874 0.006 2 304 31 31 ASP HB3 H 2.661 0.006 2 305 31 31 ASP CA C 54.532 0.156 1 306 31 31 ASP CB C 37.285 0.156 1 307 31 31 ASP N N 120.811 0.125 1 308 32 32 VAL H H 8.655 0.006 1 309 32 32 VAL HA H 3.411 0.006 1 310 32 32 VAL HB H 2.013 0.006 1 311 32 32 VAL HG1 H 0.826 0.006 2 312 32 32 VAL HG2 H 0.686 0.006 2 313 32 32 VAL CA C 64.215 0.156 1 314 32 32 VAL CB C 28.545 0.156 1 315 32 32 VAL CG1 C 21.343 0.156 2 316 32 32 VAL CG2 C 20.114 0.156 2 317 32 32 VAL N N 121.006 0.125 1 318 33 33 ARG H H 8.507 0.006 1 319 33 33 ARG HA H 3.493 0.006 1 320 33 33 ARG HB2 H 1.762 0.006 2 321 33 33 ARG HB3 H 1.919 0.006 2 322 33 33 ARG HG2 H 1.406 0.006 2 323 33 33 ARG HG3 H 1.406 0.006 2 324 33 33 ARG HD2 H 3.131 0.006 2 325 33 33 ARG HD3 H 3.131 0.006 2 326 33 33 ARG CA C 58.431 0.156 1 327 33 33 ARG CB C 27.232 0.156 1 328 33 33 ARG CG C 24.796 0.156 1 329 33 33 ARG CD C 40.526 0.156 1 330 33 33 ARG N N 122.143 0.125 1 331 34 34 ASP H H 8.633 0.006 1 332 34 34 ASP HA H 4.256 0.006 1 333 34 34 ASP HB2 H 2.661 0.006 2 334 34 34 ASP HB3 H 2.849 0.006 2 335 34 34 ASP CA C 55.100 0.156 1 336 34 34 ASP CB C 38.076 0.156 1 337 34 34 ASP N N 120.971 0.125 1 338 35 35 GLU H H 8.184 0.006 1 339 35 35 GLU HA H 4.064 0.006 1 340 35 35 GLU HB2 H 2.017 0.006 2 341 35 35 GLU HB3 H 2.178 0.006 2 342 35 35 GLU HG2 H 2.408 0.006 2 343 35 35 GLU HG3 H 2.244 0.006 2 344 35 35 GLU CA C 56.431 0.156 1 345 35 35 GLU CB C 26.860 0.156 1 346 35 35 GLU CG C 32.834 0.156 1 347 35 35 GLU N N 119.918 0.125 1 348 36 36 CYS H H 8.584 0.006 1 349 36 36 CYS HA H 4.374 0.006 1 350 36 36 CYS HB2 H 2.752 0.006 2 351 36 36 CYS HB3 H 2.922 0.006 2 352 36 36 CYS CA C 62.543 0.156 1 353 36 36 CYS CB C 24.910 0.156 1 354 36 36 CYS N N 114.288 0.125 1 355 37 37 SER H H 8.164 0.006 1 356 37 37 SER HA H 5.135 0.006 1 357 37 37 SER HB2 H 3.965 0.006 2 358 37 37 SER HB3 H 4.075 0.006 2 359 37 37 SER CA C 58.124 0.156 1 360 37 37 SER CB C 60.481 0.156 1 361 37 37 SER N N 114.987 0.125 1 362 38 38 LYS H H 7.111 0.006 1 363 38 38 LYS HA H 3.804 0.006 1 364 38 38 LYS HB3 H 1.192 0.006 2 365 38 38 LYS HG2 H 1.375 0.006 2 366 38 38 LYS HG3 H 1.109 0.006 2 367 38 38 LYS HD2 H 1.454 0.006 2 368 38 38 LYS HD3 H 1.537 0.006 2 369 38 38 LYS HE2 H 2.786 0.006 2 370 38 38 LYS HE3 H 2.786 0.006 2 371 38 38 LYS CA C 55.490 0.156 1 372 38 38 LYS CB C 29.371 0.156 1 373 38 38 LYS CG C 22.733 0.156 1 374 38 38 LYS CD C 26.714 0.156 1 375 38 38 LYS CE C 39.819 0.156 1 376 38 38 LYS N N 119.574 0.125 1 377 39 39 TYR H H 7.576 0.006 1 378 39 39 TYR HA H 4.304 0.006 1 379 39 39 TYR HB2 H 2.985 0.006 2 380 39 39 TYR HB3 H 2.632 0.006 2 381 39 39 TYR HD1 H 7.075 0.006 3 382 39 39 TYR HD2 H 7.075 0.006 3 383 39 39 TYR HE1 H 6.697 0.006 3 384 39 39 TYR HE2 H 6.697 0.006 3 385 39 39 TYR CA C 55.924 0.156 1 386 39 39 TYR CB C 37.122 0.156 1 387 39 39 TYR CD1 C 130.571 0.156 3 388 39 39 TYR CD2 C 130.571 0.156 3 389 39 39 TYR CE1 C 115.997 0.156 3 390 39 39 TYR CE2 C 115.997 0.156 3 391 39 39 TYR N N 116.372 0.125 1 392 40 40 GLY H H 7.380 0.006 1 393 40 40 GLY HA2 H 3.894 0.006 2 394 40 40 GLY HA3 H 4.084 0.006 2 395 40 40 GLY CA C 42.186 0.156 1 396 40 40 GLY N N 103.718 0.125 1 397 41 41 LEU H H 8.260 0.006 1 398 41 41 LEU HA H 4.332 0.006 1 399 41 41 LEU HB2 H 1.639 0.006 2 400 41 41 LEU HG H 1.479 0.006 1 401 41 41 LEU HD1 H 0.917 0.006 2 402 41 41 LEU HD2 H 0.858 0.006 2 403 41 41 LEU CA C 53.070 0.156 1 404 41 41 LEU CB C 39.959 0.156 1 405 41 41 LEU CG C 24.668 0.156 1 406 41 41 LEU CD1 C 21.939 0.156 2 407 41 41 LEU CD2 C 22.165 0.156 2 408 41 41 LEU N N 118.877 0.125 1 409 42 42 VAL H H 8.598 0.006 1 410 42 42 VAL HA H 3.507 0.006 1 411 42 42 VAL HB H 1.764 0.006 1 412 42 42 VAL HG1 H 0.474 0.006 2 413 42 42 VAL HG2 H 0.578 0.006 2 414 42 42 VAL CA C 59.948 0.156 1 415 42 42 VAL CB C 30.002 0.156 1 416 42 42 VAL CG1 C 19.258 0.156 2 417 42 42 VAL CG2 C 19.878 0.156 2 418 42 42 VAL N N 127.032 0.125 1 419 43 43 LYS H H 9.307 0.006 1 420 43 43 LYS HA H 4.126 0.006 1 421 43 43 LYS HB2 H 1.496 0.006 2 422 43 43 LYS HB3 H 1.269 0.006 2 423 43 43 LYS HG2 H 1.274 0.006 2 424 43 43 LYS HG3 H 1.274 0.006 2 425 43 43 LYS HD2 H 1.561 0.006 2 426 43 43 LYS HD3 H 1.470 0.006 2 427 43 43 LYS HE2 H 2.928 0.006 2 428 43 43 LYS HE3 H 2.928 0.006 2 429 43 43 LYS CA C 55.022 0.156 1 430 43 43 LYS CB C 32.093 0.156 1 431 43 43 LYS CG C 22.709 0.156 1 432 43 43 LYS CD C 26.981 0.156 1 433 43 43 LYS CE C 39.498 0.156 1 434 43 43 LYS N N 130.977 0.125 1 435 44 44 SER H H 7.938 0.006 1 436 44 44 SER HA H 4.492 0.006 1 437 44 44 SER HB2 H 4.169 0.006 2 438 44 44 SER HB3 H 4.169 0.006 2 439 44 44 SER CA C 55.890 0.156 1 440 44 44 SER CB C 62.940 0.156 1 441 44 44 SER N N 110.453 0.125 1 442 45 45 ILE H H 8.136 0.006 1 443 45 45 ILE HA H 5.050 0.006 1 444 45 45 ILE HB H 1.426 0.006 1 445 45 45 ILE HG12 H 1.478 0.006 2 446 45 45 ILE HG13 H 0.792 0.006 2 447 45 45 ILE HG2 H 0.738 0.006 1 448 45 45 ILE HD1 H 0.655 0.006 1 449 45 45 ILE CA C 57.531 0.156 1 450 45 45 ILE CB C 40.320 0.156 1 451 45 45 ILE CG1 C 26.062 0.156 1 452 45 45 ILE CG2 C 13.976 0.156 1 453 45 45 ILE CD1 C 12.218 0.156 1 454 45 45 ILE N N 118.542 0.125 1 455 46 46 GLU H H 9.364 0.006 1 456 46 46 GLU HA H 4.700 0.006 1 457 46 46 GLU HB2 H 1.692 0.006 2 458 46 46 GLU HB3 H 1.763 0.006 2 459 46 46 GLU HG2 H 2.276 0.006 2 460 46 46 GLU HG3 H 1.874 0.006 2 461 46 46 GLU CA C 52.467 0.156 1 462 46 46 GLU CB C 30.763 0.156 1 463 46 46 GLU CG C 31.764 0.156 1 464 46 46 GLU N N 125.456 0.125 1 465 47 47 ILE H H 8.672 0.006 1 466 47 47 ILE HA H 4.705 0.006 1 467 47 47 ILE HB H 1.951 0.006 1 468 47 47 ILE HG12 H 1.506 0.006 1 469 47 47 ILE HG2 H 0.842 0.006 1 470 47 47 ILE HD1 H 0.551 0.006 1 471 47 47 ILE CA C 56.335 0.156 1 472 47 47 ILE CB C 36.788 0.156 1 473 47 47 ILE CG1 C 24.277 0.156 1 474 47 47 ILE CG2 C 15.569 0.156 1 475 47 47 ILE CD1 C 11.913 0.156 1 476 47 47 ILE N N 122.471 0.125 1 477 48 48 PRO HG2 H 1.635 0.006 2 478 48 48 PRO HG3 H 1.550 0.006 2 479 48 48 PRO HD2 H 3.848 0.006 2 480 48 48 PRO HD3 H 3.279 0.006 2 481 48 48 PRO CB C 29.876 0.156 1 482 48 48 PRO CG C 25.824 0.156 1 483 48 48 PRO CD C 47.686 0.156 1 484 49 49 ARG H H 7.944 0.006 1 485 49 49 ARG HA H 4.707 0.006 1 486 49 49 ARG HB2 H 1.817 0.006 2 487 49 49 ARG HB3 H 1.372 0.006 2 488 49 49 ARG HG2 H 1.731 0.006 2 489 49 49 ARG HG3 H 1.119 0.006 2 490 49 49 ARG HD2 H 2.462 0.006 2 491 49 49 ARG HD3 H 1.579 0.006 2 492 49 49 ARG CB C 29.928 0.156 1 493 49 49 ARG CG C 25.151 0.156 1 494 49 49 ARG CD C 40.548 0.156 1 495 49 49 ARG N N 120.907 0.125 1 496 50 50 PRO HA H 4.392 0.006 1 497 50 50 PRO HB2 H 2.012 0.006 2 498 50 50 PRO HB3 H 1.666 0.006 2 499 50 50 PRO HG2 H 1.889 0.006 2 500 50 50 PRO HG3 H 1.860 0.006 2 501 50 50 PRO HD2 H 3.500 0.006 2 502 50 50 PRO HD3 H 3.307 0.006 2 503 50 50 PRO CA C 60.628 0.156 1 504 50 50 PRO CB C 29.626 0.156 1 505 50 50 PRO CG C 25.033 0.156 1 506 50 50 PRO CD C 48.613 0.156 1 507 51 51 VAL H H 7.992 0.006 1 508 51 51 VAL HA H 3.987 0.006 1 509 51 51 VAL HB H 1.677 0.006 1 510 51 51 VAL HG1 H 0.790 0.006 2 511 51 51 VAL HG2 H 0.833 0.006 2 512 51 51 VAL CA C 58.857 0.156 1 513 51 51 VAL CB C 32.238 0.156 1 514 51 51 VAL CG1 C 18.580 0.156 2 515 51 51 VAL CG2 C 18.668 0.156 2 516 51 51 VAL N N 121.425 0.125 1 517 52 52 ASP H H 8.746 0.006 1 518 52 52 ASP HA H 4.237 0.006 1 519 52 52 ASP HB2 H 2.661 0.006 2 520 52 52 ASP HB3 H 2.541 0.006 2 521 52 52 ASP CA C 53.288 0.156 1 522 52 52 ASP CB C 37.950 0.156 1 523 52 52 ASP N N 127.160 0.125 1 524 53 53 GLY H H 8.589 0.006 1 525 53 53 GLY HA2 H 3.544 0.006 2 526 53 53 GLY HA3 H 4.066 0.006 2 527 53 53 GLY CA C 42.974 0.156 1 528 53 53 GLY N N 108.483 0.125 1 529 54 54 VAL H H 7.804 0.006 1 530 54 54 VAL HA H 4.159 0.006 1 531 54 54 VAL HB H 1.920 0.006 1 532 54 54 VAL HG1 H 0.819 0.006 2 533 54 54 VAL HG2 H 0.784 0.006 2 534 54 54 VAL CA C 58.489 0.156 1 535 54 54 VAL CB C 32.033 0.156 1 536 54 54 VAL CG1 C 18.620 0.156 2 537 54 54 VAL CG2 C 18.618 0.156 2 538 54 54 VAL N N 120.874 0.125 1 539 55 55 GLU H H 8.578 0.006 1 540 55 55 GLU HA H 4.173 0.006 1 541 55 55 GLU HB2 H 1.915 0.006 2 542 55 55 GLU HB3 H 1.915 0.006 2 543 55 55 GLU HG2 H 2.214 0.006 2 544 55 55 GLU HG3 H 2.092 0.006 2 545 55 55 GLU CA C 53.696 0.156 1 546 55 55 GLU CB C 26.760 0.156 1 547 55 55 GLU CG C 33.746 0.156 1 548 55 55 GLU N N 126.140 0.125 1 549 56 56 VAL H H 7.661 0.006 1 550 56 56 VAL HA H 4.355 0.006 1 551 56 56 VAL HB H 2.052 0.006 1 552 56 56 VAL HG1 H 0.896 0.006 2 553 56 56 VAL HG2 H 0.890 0.006 2 554 56 56 VAL CA C 57.070 0.156 1 555 56 56 VAL CB C 29.806 0.156 1 556 56 56 VAL CG1 C 17.747 0.156 2 557 56 56 VAL CG2 C 18.566 0.156 2 558 56 56 VAL N N 124.648 0.125 1 559 57 57 PRO HA H 4.117 0.006 1 560 57 57 PRO HB2 H 1.879 0.006 2 561 57 57 PRO HB3 H 1.728 0.006 2 562 57 57 PRO HG2 H 1.731 0.006 2 563 57 57 PRO HG3 H 1.993 0.006 2 564 57 57 PRO HD2 H 3.832 0.006 2 565 57 57 PRO HD3 H 3.645 0.006 2 566 57 57 PRO CA C 61.241 0.156 1 567 57 57 PRO CB C 29.245 0.156 1 568 57 57 PRO CG C 25.264 0.156 1 569 57 57 PRO CD C 48.395 0.156 1 570 58 58 GLY H H 8.577 0.006 1 571 58 58 GLY HA2 H 4.010 0.006 2 572 58 58 GLY HA3 H 3.542 0.006 2 573 58 58 GLY CA C 42.847 0.156 1 574 58 58 GLY N N 109.755 0.125 1 575 59 59 CYS H H 7.631 0.006 1 576 59 59 CYS HA H 4.055 0.006 1 577 59 59 CYS HB2 H 2.862 0.006 2 578 59 59 CYS HB3 H 2.635 0.006 2 579 59 59 CYS CA C 59.324 0.156 1 580 59 59 CYS CB C 24.178 0.156 1 581 59 59 CYS N N 118.400 0.125 1 582 60 60 GLY H H 10.447 0.006 1 583 60 60 GLY HA2 H 4.463 0.006 2 584 60 60 GLY HA3 H 3.226 0.006 2 585 60 60 GLY CA C 42.139 0.156 1 586 60 60 GLY N N 119.002 0.125 1 587 61 61 LYS H H 8.233 0.006 1 588 61 61 LYS HA H 4.331 0.006 1 589 61 61 LYS HB2 H 1.789 0.006 2 590 61 61 LYS HB3 H 0.726 0.006 2 591 61 61 LYS HG2 H 1.124 0.006 2 592 61 61 LYS HG3 H 0.860 0.006 2 593 61 61 LYS HD2 H 1.370 0.006 2 594 61 61 LYS HD3 H 1.370 0.006 2 595 61 61 LYS HE2 H 2.774 0.006 2 596 61 61 LYS HE3 H 2.774 0.006 2 597 61 61 LYS CA C 52.944 0.156 1 598 61 61 LYS CB C 33.173 0.156 1 599 61 61 LYS CG C 24.181 0.156 1 600 61 61 LYS CD C 27.741 0.156 1 601 61 61 LYS CE C 39.861 0.156 1 602 61 61 LYS N N 122.250 0.125 1 603 62 62 ILE H H 7.272 0.006 1 604 62 62 ILE HA H 4.296 0.006 1 605 62 62 ILE HB H 1.521 0.006 1 606 62 62 ILE HG12 H 1.402 0.006 2 607 62 62 ILE HG13 H 0.792 0.006 2 608 62 62 ILE HG2 H 0.629 0.006 1 609 62 62 ILE HD1 H 0.630 0.006 1 610 62 62 ILE CA C 57.386 0.156 1 611 62 62 ILE CB C 39.003 0.156 1 612 62 62 ILE CG1 C 24.188 0.156 1 613 62 62 ILE CG2 C 14.547 0.156 1 614 62 62 ILE CD1 C 12.924 0.156 1 615 62 62 ILE N N 118.312 0.125 1 616 63 63 PHE H H 8.876 0.006 1 617 63 63 PHE HA H 5.300 0.006 1 618 63 63 PHE HB2 H 3.075 0.006 2 619 63 63 PHE HB3 H 2.644 0.006 2 620 63 63 PHE HD1 H 6.822 0.006 3 621 63 63 PHE HD2 H 6.822 0.006 3 622 63 63 PHE HE1 H 6.923 0.006 3 623 63 63 PHE HE2 H 6.923 0.006 3 624 63 63 PHE HZ H 6.989 0.006 1 625 63 63 PHE CA C 53.494 0.156 2 626 63 63 PHE CB C 39.791 0.156 2 627 63 63 PHE CD1 C 129.050 0.156 3 628 63 63 PHE CD2 C 129.050 0.156 3 629 63 63 PHE CE1 C 128.965 0.156 3 630 63 63 PHE CE2 C 128.965 0.156 3 631 63 63 PHE CZ C 127.023 0.156 1 632 63 63 PHE N N 125.445 0.125 1 633 64 64 VAL H H 9.161 0.006 1 634 64 64 VAL HA H 4.320 0.006 1 635 64 64 VAL HB H 1.754 0.006 1 636 64 64 VAL HG1 H 0.681 0.006 2 637 64 64 VAL HG2 H 0.317 0.006 2 638 64 64 VAL CA C 58.528 0.156 1 639 64 64 VAL CB C 32.571 0.156 1 640 64 64 VAL CG1 C 18.465 0.156 2 641 64 64 VAL CG2 C 19.672 0.156 2 642 64 64 VAL N N 122.504 0.125 1 643 65 65 GLU H H 8.601 0.006 1 644 65 65 GLU HA H 4.677 0.006 1 645 65 65 GLU HB2 H 2.205 0.006 2 646 65 65 GLU HB3 H 1.202 0.006 2 647 65 65 GLU HG2 H 2.235 0.006 2 648 65 65 GLU HG3 H 2.005 0.006 2 649 65 65 GLU CA C 51.445 0.156 1 650 65 65 GLU CB C 28.559 0.156 1 651 65 65 GLU CG C 33.238 0.156 1 652 65 65 GLU N N 127.687 0.125 1 653 66 66 PHE H H 9.352 0.006 1 654 66 66 PHE HA H 5.093 0.006 1 655 66 66 PHE HB2 H 3.030 0.006 2 656 66 66 PHE HB3 H 3.598 0.006 2 657 66 66 PHE HD1 H 7.253 0.006 3 658 66 66 PHE HD2 H 7.253 0.006 3 659 66 66 PHE CA C 55.185 0.156 1 660 66 66 PHE CB C 39.141 0.156 1 661 66 66 PHE CD1 C 129.951 0.156 3 662 66 66 PHE CD2 C 129.951 0.156 3 663 66 66 PHE CE2 C 128.399 0.156 3 664 66 66 PHE N N 126.672 0.125 1 665 67 67 THR H H 9.072 0.006 1 666 67 67 THR HA H 4.248 0.006 1 667 67 67 THR HB H 4.410 0.006 1 668 67 67 THR HG2 H 1.245 0.006 1 669 67 67 THR CA C 60.963 0.156 1 670 67 67 THR CB C 66.974 0.156 1 671 67 67 THR CG2 C 20.143 0.156 1 672 67 67 THR N N 109.616 0.125 1 673 68 68 SER H H 7.511 0.006 1 674 68 68 SER HA H 4.922 0.006 1 675 68 68 SER HB2 H 3.909 0.006 2 676 68 68 SER HB3 H 4.124 0.006 2 677 68 68 SER CA C 53.411 0.156 1 678 68 68 SER CB C 63.507 0.156 1 679 68 68 SER N N 111.776 0.125 1 680 69 69 VAL H H 8.854 0.006 1 681 69 69 VAL HA H 3.405 0.006 1 682 69 69 VAL HB H 1.693 0.006 1 683 69 69 VAL HG1 H 0.695 0.006 2 684 69 69 VAL HG2 H 0.537 0.006 2 685 69 69 VAL CA C 62.588 0.156 1 686 69 69 VAL CB C 28.878 0.156 1 687 69 69 VAL CG1 C 19.266 0.156 2 688 69 69 VAL CG2 C 18.524 0.156 2 689 69 69 VAL N N 123.476 0.125 1 690 70 70 PHE H H 7.673 0.006 1 691 70 70 PHE HA H 4.229 0.006 1 692 70 70 PHE HB2 H 3.027 0.006 2 693 70 70 PHE HB3 H 3.027 0.006 2 694 70 70 PHE HD1 H 7.278 0.006 3 695 70 70 PHE HD2 H 7.324 0.006 3 696 70 70 PHE HE1 H 7.268 0.006 3 697 70 70 PHE HE2 H 7.268 0.006 3 698 70 70 PHE CA C 57.902 0.156 1 699 70 70 PHE CB C 36.263 0.156 1 700 70 70 PHE CD1 C 129.295 0.156 3 701 70 70 PHE CD2 C 129.230 0.156 3 702 70 70 PHE CE1 C 127.537 0.156 3 703 70 70 PHE N N 119.530 0.125 1 704 71 71 ASP H H 7.585 0.006 1 705 71 71 ASP HA H 4.176 0.006 1 706 71 71 ASP HB2 H 2.477 0.006 2 707 71 71 ASP HB3 H 2.666 0.006 2 708 71 71 ASP CA C 54.306 0.156 1 709 71 71 ASP CB C 37.867 0.156 1 710 71 71 ASP N N 120.024 0.125 1 711 72 72 CYS H H 7.087 0.006 1 712 72 72 CYS HA H 2.796 0.006 1 713 72 72 CYS HB2 H 3.541 0.006 2 714 72 72 CYS HB3 H 2.781 0.006 2 715 72 72 CYS CA C 57.147 0.156 1 716 72 72 CYS CB C 25.349 0.156 1 717 72 72 CYS N N 119.689 0.125 1 718 73 73 GLN H H 8.478 0.006 1 719 73 73 GLN HA H 4.406 0.006 1 720 73 73 GLN HB2 H 2.106 0.006 2 721 73 73 GLN HB3 H 2.002 0.006 2 722 73 73 GLN HG2 H 2.381 0.006 2 723 73 73 GLN HE21 H 7.016 0.006 1 724 73 73 GLN HE22 H 6.759 0.006 1 725 73 73 GLN CA C 56.361 0.156 1 726 73 73 GLN CB C 26.883 0.156 1 727 73 73 GLN CG C 32.134 0.156 1 728 73 73 GLN N N 117.350 0.125 1 729 73 73 GLN NE2 N 110.519 0.125 1 730 74 74 LYS H H 7.468 0.006 1 731 74 74 LYS HA H 3.774 0.006 1 732 74 74 LYS HB2 H 1.751 0.006 2 733 74 74 LYS HB3 H 2.006 0.006 2 734 74 74 LYS HG2 H 1.306 0.006 2 735 74 74 LYS HG3 H 1.445 0.006 2 736 74 74 LYS HD2 H 1.656 0.006 2 737 74 74 LYS HD3 H 1.712 0.006 2 738 74 74 LYS HE2 H 2.984 0.006 2 739 74 74 LYS HE3 H 2.984 0.006 2 740 74 74 LYS CA C 56.827 0.156 1 741 74 74 LYS CB C 29.502 0.156 1 742 74 74 LYS CG C 22.585 0.156 1 743 74 74 LYS CD C 26.852 0.156 1 744 74 74 LYS CE C 39.604 0.156 1 745 74 74 LYS N N 119.692 0.125 1 746 75 75 ALA H H 7.549 0.006 1 747 75 75 ALA HA H 2.595 0.006 1 748 75 75 ALA HB H 0.977 0.006 1 749 75 75 ALA CA C 51.696 0.156 1 750 75 75 ALA CB C 17.091 0.156 1 751 75 75 ALA N N 124.287 0.125 1 752 76 76 MET H H 8.700 0.006 1 753 76 76 MET HA H 3.490 0.006 1 754 76 76 MET HB2 H 2.142 0.006 2 755 76 76 MET HB3 H 2.142 0.006 2 756 76 76 MET HG2 H 1.826 0.006 2 757 76 76 MET HG3 H 1.826 0.006 2 758 76 76 MET HE H 1.131 0.006 1 759 76 76 MET CA C 56.956 0.156 1 760 76 76 MET CB C 28.966 0.156 1 761 76 76 MET CG C 29.227 0.156 1 762 76 76 MET CE C 14.008 0.156 1 763 76 76 MET N N 118.919 0.125 1 764 77 77 GLN H H 7.798 0.006 1 765 77 77 GLN HA H 3.856 0.006 1 766 77 77 GLN HB2 H 1.975 0.006 2 767 77 77 GLN HB3 H 1.975 0.006 2 768 77 77 GLN HG2 H 2.412 0.006 2 769 77 77 GLN HG3 H 2.311 0.006 2 770 77 77 GLN HE21 H 7.337 0.006 1 771 77 77 GLN HE22 H 6.751 0.006 1 772 77 77 GLN CA C 55.700 0.156 1 773 77 77 GLN CB C 25.781 0.156 1 774 77 77 GLN CG C 31.435 0.156 1 775 77 77 GLN N N 118.282 0.125 1 776 77 77 GLN NE2 N 111.353 0.125 1 777 78 78 GLY H H 7.797 0.006 1 778 78 78 GLY HA2 H 3.860 0.006 2 779 78 78 GLY HA3 H 3.332 0.006 2 780 78 78 GLY CA C 43.748 0.156 1 781 78 78 GLY N N 106.137 0.125 1 782 79 79 LEU H H 8.039 0.006 1 783 79 79 LEU HA H 4.190 0.006 1 784 79 79 LEU HB2 H 1.517 0.006 2 785 79 79 LEU HB3 H 1.124 0.006 2 786 79 79 LEU HG H 1.535 0.006 1 787 79 79 LEU HD1 H 0.878 0.006 2 788 79 79 LEU HD2 H 0.738 0.006 2 789 79 79 LEU CA C 53.263 0.156 1 790 79 79 LEU CB C 40.914 0.156 1 791 79 79 LEU CG C 25.074 0.156 1 792 79 79 LEU CD1 C 21.207 0.156 2 793 79 79 LEU CD2 C 24.052 0.156 2 794 79 79 LEU N N 118.753 0.125 1 795 80 80 THR H H 7.177 0.006 1 796 80 80 THR HA H 3.550 0.006 1 797 80 80 THR HB H 4.057 0.006 1 798 80 80 THR HG2 H 1.171 0.006 1 799 80 80 THR CA C 63.539 0.156 1 800 80 80 THR CB C 66.102 0.156 1 801 80 80 THR CG2 C 18.634 0.156 1 802 80 80 THR N N 114.360 0.125 1 803 81 81 GLY H H 8.680 0.006 1 804 81 81 GLY HA2 H 3.540 0.006 2 805 81 81 GLY HA3 H 4.126 0.006 2 806 81 81 GLY CA C 42.993 0.156 1 807 81 81 GLY N N 115.554 0.125 1 808 82 82 ARG H H 7.520 0.006 1 809 82 82 ARG HA H 4.093 0.006 1 810 82 82 ARG HB2 H 1.825 0.006 2 811 82 82 ARG HB3 H 1.677 0.006 2 812 82 82 ARG HG2 H 1.626 0.006 2 813 82 82 ARG HG3 H 1.466 0.006 2 814 82 82 ARG HD2 H 3.148 0.006 2 815 82 82 ARG HD3 H 3.148 0.006 2 816 82 82 ARG CA C 53.446 0.156 1 817 82 82 ARG CB C 28.148 0.156 1 818 82 82 ARG CG C 24.879 0.156 1 819 82 82 ARG CD C 40.512 0.156 1 820 82 82 ARG N N 120.945 0.125 1 821 83 83 LYS H H 8.165 0.006 1 822 83 83 LYS HA H 5.008 0.006 1 823 83 83 LYS HB2 H 1.529 0.006 2 824 83 83 LYS HB3 H 1.529 0.006 2 825 83 83 LYS HG2 H 1.347 0.006 2 826 83 83 LYS HG3 H 1.118 0.006 2 827 83 83 LYS HD2 H 1.533 0.006 2 828 83 83 LYS HD3 H 1.533 0.006 2 829 83 83 LYS HE2 H 2.829 0.006 2 830 83 83 LYS HE3 H 2.829 0.006 2 831 83 83 LYS CA C 52.722 0.156 1 832 83 83 LYS CB C 31.590 0.156 1 833 83 83 LYS CG C 22.809 0.156 1 834 83 83 LYS CD C 26.869 0.156 1 835 83 83 LYS CE C 39.528 0.156 1 836 83 83 LYS N N 121.584 0.125 1 837 84 84 PHE H H 8.656 0.006 1 838 84 84 PHE HA H 4.437 0.006 1 839 84 84 PHE HB2 H 2.914 0.006 2 840 84 84 PHE HB3 H 2.642 0.006 2 841 84 84 PHE HD1 H 7.124 0.006 3 842 84 84 PHE HD2 H 7.124 0.006 3 843 84 84 PHE HE1 H 7.132 0.006 3 844 84 84 PHE HE2 H 7.132 0.006 3 845 84 84 PHE HZ H 6.774 0.006 1 846 84 84 PHE CA C 54.773 0.156 1 847 84 84 PHE CB C 39.087 0.156 1 848 84 84 PHE CD1 C 129.756 0.156 3 849 84 84 PHE CD2 C 129.756 0.156 3 850 84 84 PHE CE1 C 128.472 0.156 3 851 84 84 PHE CE2 C 128.472 0.156 3 852 84 84 PHE CZ C 126.543 0.156 1 853 84 84 PHE N N 125.104 0.125 1 854 85 85 ALA H H 8.831 0.006 1 855 85 85 ALA HA H 3.768 0.006 1 856 85 85 ALA HB H 1.310 0.006 1 857 85 85 ALA CA C 51.048 0.156 1 858 85 85 ALA CB C 14.121 0.156 1 859 85 85 ALA N N 127.849 0.125 1 860 86 86 ASN H H 8.406 0.006 1 861 86 86 ASN HA H 4.359 0.006 1 862 86 86 ASN HB2 H 2.904 0.006 2 863 86 86 ASN HB3 H 2.875 0.006 2 864 86 86 ASN HD21 H 7.485 0.006 1 865 86 86 ASN HD22 H 6.843 0.006 1 866 86 86 ASN CA C 51.409 0.156 1 867 86 86 ASN CB C 35.722 0.156 1 868 86 86 ASN N N 113.065 0.125 1 869 86 86 ASN ND2 N 113.049 0.125 1 870 87 87 ARG H H 8.250 0.006 1 871 87 87 ARG HA H 4.521 0.006 1 872 87 87 ARG HB2 H 1.828 0.006 2 873 87 87 ARG HB3 H 2.055 0.006 2 874 87 87 ARG HG2 H 1.659 0.006 2 875 87 87 ARG HG3 H 1.461 0.006 2 876 87 87 ARG HD2 H 3.183 0.006 2 877 87 87 ARG HD3 H 2.984 0.006 2 878 87 87 ARG CA C 52.786 0.156 1 879 87 87 ARG CB C 29.880 0.156 1 880 87 87 ARG CG C 25.017 0.156 1 881 87 87 ARG CD C 40.939 0.156 1 882 87 87 ARG N N 121.167 0.125 1 883 88 88 VAL H H 8.279 0.006 1 884 88 88 VAL HA H 4.274 0.006 1 885 88 88 VAL HB H 1.809 0.006 1 886 88 88 VAL HG1 H 0.797 0.006 2 887 88 88 VAL HG2 H 0.760 0.006 2 888 88 88 VAL CA C 59.281 0.156 1 889 88 88 VAL CB C 30.290 0.156 1 890 88 88 VAL CG1 C 18.780 0.156 2 891 88 88 VAL CG2 C 18.782 0.156 2 892 88 88 VAL N N 121.437 0.125 1 893 89 89 VAL H H 8.601 0.006 1 894 89 89 VAL HA H 4.112 0.006 1 895 89 89 VAL HB H 2.221 0.006 1 896 89 89 VAL HG1 H 0.795 0.006 2 897 89 89 VAL HG2 H 0.969 0.006 2 898 89 89 VAL CA C 61.131 0.156 1 899 89 89 VAL CB C 30.108 0.156 1 900 89 89 VAL CG1 C 19.926 0.156 2 901 89 89 VAL CG2 C 20.679 0.156 2 902 89 89 VAL N N 127.754 0.125 1 903 90 90 VAL H H 7.866 0.006 1 904 90 90 VAL HA H 4.321 0.006 1 905 90 90 VAL HB H 1.747 0.006 1 906 90 90 VAL HG1 H 0.889 0.006 2 907 90 90 VAL HG2 H 0.889 0.006 2 908 90 90 VAL CA C 58.489 0.156 1 909 90 90 VAL CB C 32.346 0.156 1 910 90 90 VAL CG1 C 18.596 0.156 2 911 90 90 VAL N N 127.874 0.125 1 912 91 91 THR H H 8.119 0.006 1 913 91 91 THR HA H 5.528 0.006 1 914 91 91 THR HB H 3.791 0.006 1 915 91 91 THR HG2 H 0.899 0.006 1 916 91 91 THR CA C 56.193 0.156 1 917 91 91 THR CB C 69.553 0.156 1 918 91 91 THR CG2 C 20.173 0.156 1 919 91 91 THR N N 114.187 0.125 1 920 92 92 LYS H H 8.199 0.006 1 921 92 92 LYS HA H 4.346 0.006 1 922 92 92 LYS HB2 H 1.722 0.006 2 923 92 92 LYS HB3 H 1.722 0.006 2 924 92 92 LYS HG2 H 1.135 0.006 2 925 92 92 LYS HG3 H 1.215 0.006 2 926 92 92 LYS HE2 H 2.411 0.006 2 927 92 92 LYS HE3 H 2.411 0.006 2 928 92 92 LYS CA C 52.654 0.156 1 929 92 92 LYS CB C 33.887 0.156 1 930 92 92 LYS CG C 21.789 0.156 1 931 92 92 LYS CD C 27.001 0.156 1 932 92 92 LYS CE C 39.605 0.156 1 933 92 92 LYS N N 116.111 0.125 1 934 93 93 TYR H H 8.450 0.006 1 935 93 93 TYR HA H 4.960 0.006 1 936 93 93 TYR HB2 H 3.435 0.006 2 937 93 93 TYR HB3 H 2.602 0.006 2 938 93 93 TYR HD1 H 7.096 0.006 3 939 93 93 TYR HD2 H 7.096 0.006 3 940 93 93 TYR HE1 H 6.810 0.006 3 941 93 93 TYR HE2 H 6.810 0.006 3 942 93 93 TYR CA C 56.410 0.156 1 943 93 93 TYR CB C 36.540 0.156 1 944 93 93 TYR CD1 C 131.204 0.156 3 945 93 93 TYR CD2 C 131.204 0.156 3 946 93 93 TYR CE1 C 116.601 0.156 3 947 93 93 TYR CE2 C 116.601 0.156 3 948 93 93 TYR N N 121.017 0.125 1 949 94 94 CYS H H 8.614 0.006 1 950 94 94 CYS HA H 4.812 0.006 1 951 94 94 CYS HB2 H 2.797 0.006 2 952 94 94 CYS HB3 H 2.324 0.006 2 953 94 94 CYS CA C 54.001 0.156 1 954 94 94 CYS CB C 27.586 0.156 1 955 94 94 CYS N N 119.566 0.125 1 956 95 95 ASP H H 8.969 0.006 1 957 95 95 ASP HA H 4.837 0.006 1 958 95 95 ASP HB2 H 2.800 0.006 2 959 95 95 ASP HB3 H 2.800 0.006 2 960 95 95 ASP CA C 50.010 0.156 1 961 95 95 ASP CB C 39.716 0.156 1 962 95 95 ASP N N 128.707 0.125 1 963 96 96 PRO HB2 H 2.197 0.006 2 964 96 96 PRO HG2 H 2.032 0.006 2 965 96 96 PRO HG3 H 2.344 0.006 2 966 96 96 PRO HD2 H 4.172 0.006 2 967 96 96 PRO HD3 H 3.993 0.006 2 968 96 96 PRO CB C 29.735 0.156 1 969 96 96 PRO CG C 26.133 0.156 1 970 96 96 PRO CD C 48.798 0.156 1 971 97 97 ASP H H 8.189 0.006 1 972 97 97 ASP HA H 4.429 0.006 1 973 97 97 ASP HB2 H 2.802 0.006 2 974 97 97 ASP HB3 H 2.619 0.006 2 975 97 97 ASP CA C 55.041 0.156 1 976 97 97 ASP CB C 37.759 0.156 1 977 97 97 ASP N N 118.102 0.125 1 978 98 98 SER H H 7.792 0.006 1 979 98 98 SER HA H 3.961 0.006 1 980 98 98 SER CA C 59.519 0.156 1 981 98 98 SER N N 116.394 0.125 1 982 99 99 TYR H H 7.625 0.006 1 983 99 99 TYR HA H 3.742 0.006 1 984 99 99 TYR HB2 H 2.894 0.006 2 985 99 99 TYR HB3 H 2.788 0.006 2 986 99 99 TYR HD1 H 6.366 0.006 3 987 99 99 TYR HD2 H 6.366 0.006 3 988 99 99 TYR HE1 H 6.488 0.006 3 989 99 99 TYR HE2 H 6.488 0.006 3 990 99 99 TYR CA C 58.797 0.156 1 991 99 99 TYR CB C 36.175 0.156 1 992 99 99 TYR CD1 C 129.736 0.156 3 993 99 99 TYR CD2 C 129.736 0.156 3 994 99 99 TYR CE1 C 116.033 0.156 3 995 99 99 TYR CE2 C 116.033 0.156 3 996 99 99 TYR N N 121.890 0.125 1 997 100 100 HIS H H 8.425 0.006 1 998 100 100 HIS HA H 4.130 0.006 1 999 100 100 HIS HB2 H 3.244 0.006 2 1000 100 100 HIS HB3 H 3.222 0.006 2 1001 100 100 HIS HD2 H 7.336 0.006 1 1002 100 100 HIS HE1 H 8.633 0.006 1 1003 100 100 HIS CA C 55.608 0.156 1 1004 100 100 HIS CB C 25.794 0.156 1 1005 100 100 HIS CD2 C 117.572 0.156 1 1006 100 100 HIS CE1 C 133.792 0.156 1 1007 100 100 HIS N N 118.065 0.125 1 1008 101 101 ARG H H 7.406 0.006 1 1009 101 101 ARG HA H 4.101 0.006 1 1010 101 101 ARG HB2 H 1.629 0.006 2 1011 101 101 ARG HB3 H 1.718 0.006 2 1012 101 101 ARG HG2 H 1.626 0.006 2 1013 101 101 ARG HG3 H 1.548 0.006 2 1014 101 101 ARG HD2 H 3.057 0.006 2 1015 101 101 ARG HD3 H 3.057 0.006 2 1016 101 101 ARG CA C 53.641 0.156 1 1017 101 101 ARG CB C 28.109 0.156 1 1018 101 101 ARG CG C 25.920 0.156 1 1019 101 101 ARG CD C 40.728 0.156 1 1020 101 101 ARG N N 116.756 0.125 1 1021 102 102 ARG H H 7.297 0.006 1 1022 102 102 ARG HA H 2.300 0.006 1 1023 102 102 ARG HB2 H 1.137 0.006 2 1024 102 102 ARG HB3 H 1.049 0.006 2 1025 102 102 ARG HG2 H 1.359 0.006 2 1026 102 102 ARG HG3 H 1.713 0.006 2 1027 102 102 ARG HD2 H 3.045 0.006 2 1028 102 102 ARG HD3 H 2.932 0.006 2 1029 102 102 ARG CA C 53.586 0.156 1 1030 102 102 ARG CB C 25.084 0.156 1 1031 102 102 ARG CG C 23.354 0.156 1 1032 102 102 ARG CD C 40.952 0.156 1 1033 102 102 ARG N N 115.254 0.125 1 1034 103 103 ASP H H 7.467 0.006 1 1035 103 103 ASP HA H 4.346 0.006 1 1036 103 103 ASP HB2 H 2.393 0.006 2 1037 103 103 ASP HB3 H 2.113 0.006 2 1038 103 103 ASP CA C 49.581 0.156 1 1039 103 103 ASP CB C 37.749 0.156 1 1040 103 103 ASP N N 119.588 0.125 1 1041 104 104 PHE H H 7.138 0.006 1 1042 104 104 PHE HA H 4.340 0.006 1 1043 104 104 PHE HB2 H 2.316 0.006 2 1044 104 104 PHE HB3 H 2.863 0.006 2 1045 104 104 PHE HD1 H 6.431 0.006 3 1046 104 104 PHE HD2 H 6.431 0.006 3 1047 104 104 PHE HE1 H 6.656 0.006 3 1048 104 104 PHE HE2 H 6.656 0.006 3 1049 104 104 PHE HZ H 6.489 0.006 1 1050 104 104 PHE CA C 52.701 0.156 1 1051 104 104 PHE CB C 36.842 0.156 1 1052 104 104 PHE CD1 C 128.364 0.156 3 1053 104 104 PHE CD2 C 128.346 0.156 3 1054 104 104 PHE CE1 C 127.709 0.156 3 1055 104 104 PHE CE2 C 127.709 0.156 3 1056 104 104 PHE CZ C 125.521 0.156 1 1057 104 104 PHE N N 120.438 0.125 1 1058 105 105 TRP H H 7.186 0.006 1 1059 105 105 TRP HA H 4.298 0.006 1 1060 105 105 TRP HB2 H 3.177 0.006 2 1061 105 105 TRP HB3 H 3.261 0.006 2 1062 105 105 TRP HD1 H 7.175 0.006 1 1063 105 105 TRP HE1 H 9.973 0.006 1 1064 105 105 TRP HE3 H 7.631 0.006 1 1065 105 105 TRP HZ2 H 7.419 0.006 1 1066 105 105 TRP HZ3 H 7.089 0.006 1 1067 105 105 TRP HH2 H 7.138 0.006 1 1068 105 105 TRP CA C 56.388 0.156 1 1069 105 105 TRP CB C 27.492 0.156 1 1070 105 105 TRP CD1 C 124.959 0.156 1 1071 105 105 TRP CE3 C 118.848 0.156 1 1072 105 105 TRP CZ2 C 112.102 0.156 1 1073 105 105 TRP CZ3 C 119.363 0.156 1 1074 105 105 TRP CH2 C 121.987 0.156 1 1075 105 105 TRP N N 123.989 0.125 1 1076 105 105 TRP NE1 N 128.920 0.125 1 stop_ save_