data_10113 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Solution Structure of the Pleckstrin Homology Domain of Mouse APS ; _BMRB_accession_number 10113 _BMRB_flat_file_name bmr10113.str _Entry_type original _Submission_date 2007-02-15 _Accession_date 2007-02-16 _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 Li H. . . 2 Tochio N. . . 3 Koshiba S. . . 4 Inoue M. . . 5 Kigawa T. . . 6 Yokoyama S. . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 747 "13C chemical shifts" 556 "15N chemical shifts" 125 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2008-08-15 original author . stop_ _Original_release_date 2008-08-15 save_ ############################# # Citation for this entry # ############################# save_citation_1 _Saveframe_category entry_citation _Citation_full . _Citation_title 'Solution Structure of the Pleckstrin Homology Domain of Mouse APS' _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 Li H. . . 2 Tochio N. . . 3 Koshiba S. . . 4 Inoue M. . . 5 Kigawa T. . . 6 Yokoyama S. . . stop_ _Journal_abbreviation . _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 'SH2 and PH domain-containing adapter protein APS' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label 'SH2 and PH domain-containing adapter protein APS' $entity_1 stop_ _System_molecular_weight . _System_physical_state native _System_oligomer_state 'protein monomer' _System_paramagnetic no _System_thiol_state 'all free' _Database_query_date . _Details . save_ ######################## # Monomeric polymers # ######################## save_entity_1 _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common 'Pleckstrin Homology Domain' _Molecular_mass . _Mol_thiol_state 'all free' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 136 _Mol_residue_sequence ; GSSGSSGNLAAKVELVDIQR EGALRFMVADDAASGPGGTA QWQKCRLLLRRAVAGERFRL EFFVPPKASRPKVSIPLSAI IEVRTTMPLEMPEKDNTFVL KVENGAEYILETIDSLQKHS WVADIQGCVDSGPSSG ; loop_ _Residue_seq_code _Residue_label 1 GLY 2 SER 3 SER 4 GLY 5 SER 6 SER 7 GLY 8 ASN 9 LEU 10 ALA 11 ALA 12 LYS 13 VAL 14 GLU 15 LEU 16 VAL 17 ASP 18 ILE 19 GLN 20 ARG 21 GLU 22 GLY 23 ALA 24 LEU 25 ARG 26 PHE 27 MET 28 VAL 29 ALA 30 ASP 31 ASP 32 ALA 33 ALA 34 SER 35 GLY 36 PRO 37 GLY 38 GLY 39 THR 40 ALA 41 GLN 42 TRP 43 GLN 44 LYS 45 CYS 46 ARG 47 LEU 48 LEU 49 LEU 50 ARG 51 ARG 52 ALA 53 VAL 54 ALA 55 GLY 56 GLU 57 ARG 58 PHE 59 ARG 60 LEU 61 GLU 62 PHE 63 PHE 64 VAL 65 PRO 66 PRO 67 LYS 68 ALA 69 SER 70 ARG 71 PRO 72 LYS 73 VAL 74 SER 75 ILE 76 PRO 77 LEU 78 SER 79 ALA 80 ILE 81 ILE 82 GLU 83 VAL 84 ARG 85 THR 86 THR 87 MET 88 PRO 89 LEU 90 GLU 91 MET 92 PRO 93 GLU 94 LYS 95 ASP 96 ASN 97 THR 98 PHE 99 VAL 100 LEU 101 LYS 102 VAL 103 GLU 104 ASN 105 GLY 106 ALA 107 GLU 108 TYR 109 ILE 110 LEU 111 GLU 112 THR 113 ILE 114 ASP 115 SER 116 LEU 117 GLN 118 LYS 119 HIS 120 SER 121 TRP 122 VAL 123 ALA 124 ASP 125 ILE 126 GLN 127 GLY 128 CYS 129 VAL 130 ASP 131 SER 132 GLY 133 PRO 134 SER 135 SER 136 GLY stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2015-07-08 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 1V5M "Solution Structure Of The Pleckstrin Homology Domain Of Mouse Aps" 100.00 136 100.00 100.00 3.03e-93 DBJ BAE24331 "unnamed protein product [Mus musculus]" 93.38 621 97.64 97.64 1.21e-78 DBJ BAE24336 "unnamed protein product [Mus musculus]" 93.38 621 97.64 97.64 1.21e-78 GB AAC64408 "APS protein [Rattus norvegicus]" 93.38 621 97.64 97.64 1.36e-78 GB AAF37891 "APS protein [Mus musculus]" 93.38 621 97.64 97.64 1.32e-78 GB AAH57334 "SH2B adaptor protein 2 [Mus musculus]" 93.38 621 97.64 97.64 1.21e-78 GB EDL19313 "SH2B adaptor protein 2, isoform CRA_a [Mus musculus]" 93.38 420 97.64 97.64 1.64e-80 GB EDL19314 "SH2B adaptor protein 2, isoform CRA_b [Mus musculus]" 93.38 481 97.64 97.64 1.15e-79 REF NP_001289867 "SH2B adapter protein 2 isoform 1 [Mus musculus]" 93.38 621 97.64 97.64 1.21e-78 REF NP_001289868 "SH2B adapter protein 2 isoform 2 [Mus musculus]" 93.38 420 97.64 97.64 1.64e-80 REF NP_061295 "SH2B adapter protein 2 isoform 1 [Mus musculus]" 93.38 621 97.64 97.64 1.21e-78 REF NP_446121 "SH2B adapter protein 2 [Rattus norvegicus]" 93.38 621 97.64 97.64 1.36e-78 REF XP_005080443 "PREDICTED: SH2B adapter protein 2 isoform X1 [Mesocricetus auratus]" 93.38 616 97.64 97.64 9.02e-79 SP Q9JID9 "RecName: Full=SH2B adapter protein 2; AltName: Full=Adapter protein with pleckstrin homology and Src homology 2 domains; AltNam" 93.38 621 97.64 97.64 1.21e-78 SP Q9Z200 "RecName: Full=SH2B adapter protein 2; AltName: Full=Adapter protein with pleckstrin homology and Src homology 2 domains; AltNam" 93.38 621 97.64 97.64 1.36e-78 stop_ save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species $entity_1 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_type _Vector_name $entity_1 'cell free synthesis' . . . . plasmid P030212-26 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 $entity_1 1.23 mM '[U-13C; U-15N]' d-Tris-HCl 20 mM . NaCl 100 mM . d-DTT 1 mM . NaN3 0.02 % . H2O 90 % . D2O 10 % . stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Saveframe_category software _Name xwinnmr _Version 2.6 loop_ _Vendor _Address _Electronic_address Bruker . . stop_ loop_ _Task collection stop_ _Details . save_ save_software_2 _Saveframe_category software _Name NMRPipe _Version 20020425 loop_ _Vendor _Address _Electronic_address 'Delaglio, F.' . . stop_ loop_ _Task processing stop_ _Details . save_ save_software_3 _Saveframe_category software _Name NMRView _Version 5.0.4 loop_ _Vendor _Address _Electronic_address 'Johnson, B.A.' . . stop_ loop_ _Task 'data analysis' stop_ _Details . save_ save_software_4 _Saveframe_category software _Name Kujira _Version 0.854 loop_ _Vendor _Address _Electronic_address 'Kobayashi, N.' . . stop_ loop_ _Task 'data analysis' stop_ _Details . save_ save_software_5 _Saveframe_category software _Name CYANA _Version 2.0.17 loop_ _Vendor _Address _Electronic_address 'Guntert, P.' . . stop_ loop_ _Task refinement 'structure solution' stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model AVANCE _Field_strength 800 _Details . save_ ############################# # NMR applied experiments # ############################# save_3D_13C-separated_NOESY_1 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 13C-separated NOESY' _Sample_label $sample_1 save_ save_3D_15N-separated_NOESY_2 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 15N-separated NOESY' _Sample_label $sample_1 save_ save_3D_13C-separated_NOESY _Saveframe_category NMR_applied_experiment _Experiment_name '3D 13C-separated NOESY' _BMRB_pulse_sequence_accession_number . _Details . save_ save_3D_15N-separated_NOESY _Saveframe_category NMR_applied_experiment _Experiment_name '3D 15N-separated NOESY' _BMRB_pulse_sequence_accession_number . _Details . save_ ####################### # Sample conditions # ####################### save_condition_1 _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units 'ionic strength' 120 0.1 mM pH 7.5 0.05 pH pressure 1 0.001 atm temperature 298 0.1 K stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_reference_1 _Saveframe_category chemical_shift_reference _Details ; Chemical shift reference of 1H was based on the proton of water (4.784ppm at 298K) and then those of 15N and 13C were calculated based on their gyromagnetic ratios. ; loop_ _Mol_common_name _Atom_type _Atom_isotope_number _Atom_group _Chem_shift_units _Chem_shift_value _Reference_method _Reference_type _External_reference_sample_geometry _External_reference_location _External_reference_axis _Indirect_shift_ratio DSS C 13 'methyl protons' ppm 0.0 . indirect . . . 0.251449530 DSS H 1 'methyl protons' ppm 0.0 . indirect . . . 1.0 DSS N 15 'methyl protons' ppm 0.0 . indirect . . . 0.101329118 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_chemical_shift_1 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Experiment_label '3D 13C-separated NOESY' '3D 15N-separated NOESY' stop_ loop_ _Sample_label $sample_1 stop_ _Sample_conditions_label $condition_1 _Chem_shift_reference_set_label $reference_1 _Mol_system_component_name 'SH2 and PH domain-containing adapter protein APS' _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 8 8 ASN HA H 4.707 0.030 1 2 8 8 ASN HB2 H 2.842 0.030 2 3 8 8 ASN HB3 H 2.752 0.030 2 4 8 8 ASN HD21 H 6.916 0.030 2 5 8 8 ASN HD22 H 7.578 0.030 2 6 8 8 ASN C C 175.396 0.300 1 7 8 8 ASN CA C 53.262 0.300 1 8 8 8 ASN CB C 38.854 0.300 1 9 8 8 ASN ND2 N 112.654 0.300 1 10 9 9 LEU H H 8.241 0.030 1 11 9 9 LEU HA H 4.333 0.030 1 12 9 9 LEU HB2 H 1.723 0.030 2 13 9 9 LEU HB3 H 1.612 0.030 2 14 9 9 LEU HD1 H 0.952 0.030 1 15 9 9 LEU HD2 H 0.884 0.030 1 16 9 9 LEU C C 177.201 0.300 1 17 9 9 LEU CA C 55.497 0.300 1 18 9 9 LEU CB C 42.052 0.300 1 19 9 9 LEU CG C 27.029 0.300 1 20 9 9 LEU CD1 C 25.142 0.300 2 21 9 9 LEU CD2 C 23.579 0.300 2 22 9 9 LEU N N 122.841 0.300 1 23 10 10 ALA H H 8.164 0.030 1 24 10 10 ALA HA H 4.308 0.030 1 25 10 10 ALA HB H 1.363 0.030 1 26 10 10 ALA C C 177.359 0.300 1 27 10 10 ALA CA C 52.494 0.300 1 28 10 10 ALA CB C 19.155 0.300 1 29 10 10 ALA N N 124.321 0.300 1 30 11 11 ALA H H 8.077 0.030 1 31 11 11 ALA HA H 4.278 0.030 1 32 11 11 ALA HB H 1.377 0.030 1 33 11 11 ALA C C 177.573 0.300 1 34 11 11 ALA CA C 52.393 0.300 1 35 11 11 ALA CB C 19.320 0.300 1 36 11 11 ALA N N 123.086 0.300 1 37 12 12 LYS H H 8.211 0.030 1 38 12 12 LYS HA H 4.342 0.030 1 39 12 12 LYS HB2 H 1.793 0.030 1 40 12 12 LYS HB3 H 1.793 0.030 1 41 12 12 LYS HG2 H 1.492 0.030 2 42 12 12 LYS HG3 H 1.422 0.030 2 43 12 12 LYS HD2 H 1.698 0.030 1 44 12 12 LYS HD3 H 1.698 0.030 1 45 12 12 LYS HE2 H 3.012 0.030 1 46 12 12 LYS HE3 H 3.012 0.030 1 47 12 12 LYS C C 176.456 0.300 1 48 12 12 LYS CA C 56.337 0.300 1 49 12 12 LYS CB C 32.974 0.300 1 50 12 12 LYS CG C 24.813 0.300 1 51 12 12 LYS CD C 29.254 0.300 1 52 12 12 LYS CE C 42.332 0.300 1 53 12 12 LYS N N 121.124 0.300 1 54 13 13 VAL H H 8.171 0.030 1 55 13 13 VAL HA H 4.115 0.030 1 56 13 13 VAL HB H 2.033 0.030 1 57 13 13 VAL HG1 H 0.933 0.030 1 58 13 13 VAL HG2 H 0.933 0.030 1 59 13 13 VAL C C 175.922 0.300 1 60 13 13 VAL CA C 62.360 0.300 1 61 13 13 VAL CB C 32.882 0.300 1 62 13 13 VAL CG1 C 21.111 0.300 1 63 13 13 VAL CG2 C 21.111 0.300 1 64 13 13 VAL N N 122.629 0.300 1 65 14 14 GLU H H 8.577 0.030 1 66 14 14 GLU HA H 4.333 0.030 1 67 14 14 GLU HB2 H 1.895 0.030 2 68 14 14 GLU HB3 H 2.024 0.030 2 69 14 14 GLU HG2 H 2.213 0.030 1 70 14 14 GLU HG3 H 2.213 0.030 1 71 14 14 GLU C C 176.275 0.300 1 72 14 14 GLU CA C 56.179 0.300 1 73 14 14 GLU CB C 30.465 0.300 1 74 14 14 GLU CG C 36.139 0.300 1 75 14 14 GLU N N 125.502 0.300 1 76 15 15 LEU H H 8.353 0.030 1 77 15 15 LEU HA H 4.328 0.030 1 78 15 15 LEU HB2 H 1.662 0.030 2 79 15 15 LEU HB3 H 1.556 0.030 2 80 15 15 LEU HG H 1.623 0.030 1 81 15 15 LEU HD1 H 0.939 0.030 1 82 15 15 LEU HD2 H 0.865 0.030 1 83 15 15 LEU C C 177.537 0.300 1 84 15 15 LEU CA C 55.597 0.300 1 85 15 15 LEU CB C 42.103 0.300 1 86 15 15 LEU CG C 26.992 0.300 1 87 15 15 LEU CD1 C 24.813 0.300 2 88 15 15 LEU CD2 C 23.655 0.300 2 89 15 15 LEU N N 124.008 0.300 1 90 16 16 VAL H H 8.092 0.030 1 91 16 16 VAL HA H 4.133 0.030 1 92 16 16 VAL HB H 2.112 0.030 1 93 16 16 VAL HG1 H 0.933 0.030 1 94 16 16 VAL HG2 H 0.924 0.030 1 95 16 16 VAL C C 175.494 0.300 1 96 16 16 VAL CA C 62.319 0.300 1 97 16 16 VAL CB C 32.604 0.300 1 98 16 16 VAL CG1 C 20.328 0.300 2 99 16 16 VAL CG2 C 21.318 0.300 2 100 16 16 VAL N N 119.897 0.300 1 101 17 17 ASP H H 8.342 0.030 1 102 17 17 ASP HA H 4.663 0.030 1 103 17 17 ASP HB2 H 2.790 0.030 1 104 17 17 ASP HB3 H 2.790 0.030 1 105 17 17 ASP C C 175.807 0.300 1 106 17 17 ASP CA C 54.595 0.300 1 107 17 17 ASP CB C 41.381 0.300 1 108 17 17 ASP N N 122.957 0.300 1 109 18 18 ILE H H 7.923 0.030 1 110 18 18 ILE HA H 4.003 0.030 1 111 18 18 ILE HB H 1.846 0.030 1 112 18 18 ILE HG12 H 1.689 0.030 2 113 18 18 ILE HG13 H 0.903 0.030 2 114 18 18 ILE HG2 H 0.763 0.030 1 115 18 18 ILE HD1 H 0.833 0.030 1 116 18 18 ILE C C 175.399 0.300 1 117 18 18 ILE CA C 62.342 0.300 1 118 18 18 ILE CB C 39.055 0.300 1 119 18 18 ILE CG1 C 28.082 0.300 1 120 18 18 ILE CG2 C 17.686 0.300 1 121 18 18 ILE CD1 C 13.525 0.300 1 122 18 18 ILE N N 121.511 0.300 1 123 19 19 GLN H H 8.904 0.030 1 124 19 19 GLN HA H 4.371 0.030 1 125 19 19 GLN HB2 H 1.863 0.030 2 126 19 19 GLN HB3 H 2.001 0.030 2 127 19 19 GLN HG2 H 2.182 0.030 1 128 19 19 GLN HG3 H 2.182 0.030 1 129 19 19 GLN HE21 H 7.354 0.030 2 130 19 19 GLN HE22 H 6.654 0.030 2 131 19 19 GLN CB C 29.443 0.300 1 132 19 19 GLN CG C 33.223 0.300 1 133 19 19 GLN N N 127.523 0.300 1 134 19 19 GLN NE2 N 112.085 0.300 1 135 20 20 ARG H H 7.851 0.030 1 136 20 20 ARG HA H 4.258 0.030 1 137 20 20 ARG HB2 H 0.937 0.030 2 138 20 20 ARG HB3 H 1.537 0.030 2 139 20 20 ARG HG2 H 1.074 0.030 2 140 20 20 ARG HG3 H 0.550 0.030 2 141 20 20 ARG HD2 H 1.642 0.030 2 142 20 20 ARG HD3 H 1.540 0.030 2 143 20 20 ARG HE H 6.983 0.030 1 144 20 20 ARG C C 172.364 0.300 1 145 20 20 ARG CA C 56.277 0.300 1 146 20 20 ARG CB C 32.924 0.300 1 147 20 20 ARG CG C 27.557 0.300 1 148 20 20 ARG CD C 41.316 0.300 1 149 20 20 ARG N N 118.044 0.300 1 150 20 20 ARG NE N 84.078 0.300 1 151 21 21 GLU H H 8.463 0.030 1 152 21 21 GLU HA H 5.996 0.030 1 153 21 21 GLU HB2 H 2.025 0.030 1 154 21 21 GLU HB3 H 2.025 0.030 1 155 21 21 GLU HG2 H 2.133 0.030 1 156 21 21 GLU HG3 H 2.133 0.030 1 157 21 21 GLU C C 175.855 0.300 1 158 21 21 GLU CA C 54.415 0.300 1 159 21 21 GLU CB C 34.268 0.300 1 160 21 21 GLU CG C 36.163 0.300 1 161 21 21 GLU N N 124.354 0.300 1 162 22 22 GLY H H 9.035 0.030 1 163 22 22 GLY HA2 H 4.605 0.030 2 164 22 22 GLY HA3 H 4.281 0.030 2 165 22 22 GLY C C 170.221 0.300 1 166 22 22 GLY CA C 45.826 0.300 1 167 22 22 GLY N N 110.198 0.300 1 168 23 23 ALA H H 8.601 0.030 1 169 23 23 ALA HA H 5.312 0.030 1 170 23 23 ALA HB H 1.507 0.030 1 171 23 23 ALA C C 176.480 0.300 1 172 23 23 ALA CA C 51.443 0.300 1 173 23 23 ALA CB C 19.599 0.300 1 174 23 23 ALA N N 123.805 0.300 1 175 24 24 LEU H H 8.482 0.030 1 176 24 24 LEU HA H 4.905 0.030 1 177 24 24 LEU HB2 H 2.033 0.030 2 178 24 24 LEU HB3 H 1.230 0.030 2 179 24 24 LEU HG H 1.620 0.030 1 180 24 24 LEU HD1 H 0.332 0.030 1 181 24 24 LEU HD2 H 0.477 0.030 1 182 24 24 LEU C C 175.987 0.300 1 183 24 24 LEU CA C 55.862 0.300 1 184 24 24 LEU CB C 45.657 0.300 1 185 24 24 LEU CG C 29.050 0.300 1 186 24 24 LEU CD1 C 27.833 0.300 2 187 24 24 LEU CD2 C 24.865 0.300 2 188 24 24 LEU N N 124.276 0.300 1 189 25 25 ARG H H 8.254 0.030 1 190 25 25 ARG HA H 5.748 0.030 1 191 25 25 ARG HB2 H 1.706 0.030 1 192 25 25 ARG HB3 H 1.706 0.030 1 193 25 25 ARG HG2 H 1.693 0.030 2 194 25 25 ARG HG3 H 1.513 0.030 2 195 25 25 ARG HD2 H 2.743 0.030 2 196 25 25 ARG HD3 H 3.013 0.030 2 197 25 25 ARG C C 174.786 0.300 1 198 25 25 ARG CA C 55.584 0.300 1 199 25 25 ARG CB C 34.755 0.300 1 200 25 25 ARG CG C 26.852 0.300 1 201 25 25 ARG CD C 44.083 0.300 1 202 25 25 ARG N N 116.914 0.300 1 203 26 26 PHE H H 9.609 0.030 1 204 26 26 PHE HA H 6.529 0.030 1 205 26 26 PHE HB2 H 3.273 0.030 2 206 26 26 PHE HB3 H 3.103 0.030 2 207 26 26 PHE HD1 H 7.093 0.030 1 208 26 26 PHE HD2 H 7.093 0.030 1 209 26 26 PHE HE1 H 6.946 0.030 1 210 26 26 PHE HE2 H 6.946 0.030 1 211 26 26 PHE HZ H 6.918 0.030 1 212 26 26 PHE C C 173.056 0.300 1 213 26 26 PHE CA C 55.439 0.300 1 214 26 26 PHE CB C 44.848 0.300 1 215 26 26 PHE CD1 C 132.106 0.300 1 216 26 26 PHE CD2 C 132.106 0.300 1 217 26 26 PHE CE1 C 130.698 0.300 1 218 26 26 PHE CE2 C 130.698 0.300 1 219 26 26 PHE CZ C 129.010 0.300 1 220 26 26 PHE N N 119.676 0.300 1 221 27 27 MET H H 9.033 0.030 1 222 27 27 MET HA H 4.165 0.030 1 223 27 27 MET HB2 H 1.043 0.030 2 224 27 27 MET HB3 H 1.152 0.030 2 225 27 27 MET HG2 H 1.288 0.030 2 226 27 27 MET HG3 H 1.433 0.030 2 227 27 27 MET HE H 0.993 0.030 1 228 27 27 MET C C 173.693 0.300 1 229 27 27 MET CA C 54.646 0.300 1 230 27 27 MET CB C 36.154 0.300 1 231 27 27 MET CG C 30.427 0.300 1 232 27 27 MET CE C 15.861 0.300 1 233 27 27 MET N N 120.062 0.300 1 234 28 28 VAL H H 8.226 0.030 1 235 28 28 VAL HA H 4.291 0.030 1 236 28 28 VAL HB H 1.753 0.030 1 237 28 28 VAL HG1 H 0.645 0.030 1 238 28 28 VAL HG2 H 0.640 0.030 1 239 28 28 VAL C C 175.614 0.300 1 240 28 28 VAL CA C 61.192 0.300 1 241 28 28 VAL CB C 33.039 0.300 1 242 28 28 VAL CG1 C 21.064 0.300 2 243 28 28 VAL CG2 C 21.272 0.300 2 244 28 28 VAL N N 122.162 0.300 1 245 29 29 ALA H H 8.598 0.030 1 246 29 29 ALA HA H 4.087 0.030 1 247 29 29 ALA HB H 1.242 0.030 1 248 29 29 ALA C C 177.225 0.300 1 249 29 29 ALA CA C 52.817 0.300 1 250 29 29 ALA CB C 19.224 0.300 1 251 29 29 ALA N N 129.888 0.300 1 252 30 30 ASP H H 8.125 0.030 1 253 30 30 ASP HA H 4.493 0.030 1 254 30 30 ASP HB2 H 2.537 0.030 2 255 30 30 ASP HB3 H 2.614 0.030 2 256 30 30 ASP C C 176.059 0.300 1 257 30 30 ASP CA C 54.300 0.300 1 258 30 30 ASP CB C 41.381 0.300 1 259 30 30 ASP N N 119.529 0.300 1 260 31 31 ASP H H 8.196 0.030 1 261 31 31 ASP HA H 4.514 0.030 1 262 31 31 ASP HB2 H 2.612 0.030 2 263 31 31 ASP HB3 H 2.673 0.030 2 264 31 31 ASP C C 176.708 0.300 1 265 31 31 ASP CA C 54.700 0.300 1 266 31 31 ASP CB C 41.199 0.300 1 267 31 31 ASP N N 120.755 0.300 1 268 32 32 ALA H H 8.155 0.030 1 269 32 32 ALA HA H 4.145 0.030 1 270 32 32 ALA HB H 1.364 0.030 1 271 32 32 ALA C C 177.969 0.300 1 272 32 32 ALA CA C 53.435 0.300 1 273 32 32 ALA CB C 18.908 0.300 1 274 32 32 ALA N N 123.805 0.300 1 275 33 33 ALA H H 8.062 0.030 1 276 33 33 ALA HA H 4.275 0.030 1 277 33 33 ALA HB H 1.364 0.030 1 278 33 33 ALA C C 178.018 0.300 1 279 33 33 ALA CA C 52.804 0.300 1 280 33 33 ALA CB C 19.032 0.300 1 281 33 33 ALA N N 121.109 0.300 1 282 34 34 SER H H 7.889 0.030 1 283 34 34 SER HA H 4.441 0.030 1 284 34 34 SER HB2 H 3.865 0.030 1 285 34 34 SER HB3 H 3.865 0.030 1 286 34 34 SER C C 174.822 0.300 1 287 34 34 SER CA C 58.562 0.300 1 288 34 34 SER CB C 63.982 0.300 1 289 34 34 SER N N 113.343 0.300 1 290 35 35 GLY H H 8.113 0.030 1 291 35 35 GLY HA2 H 4.098 0.030 2 292 35 35 GLY HA3 H 4.062 0.030 2 293 35 35 GLY C C 171.992 0.300 1 294 35 35 GLY CA C 44.709 0.300 1 295 35 35 GLY N N 110.355 0.300 1 296 36 36 PRO HA H 4.403 0.030 1 297 36 36 PRO HB2 H 1.953 0.030 2 298 36 36 PRO HB3 H 2.263 0.030 2 299 36 36 PRO HG2 H 2.024 0.030 1 300 36 36 PRO HG3 H 2.024 0.030 1 301 36 36 PRO HD2 H 3.623 0.030 1 302 36 36 PRO HD3 H 3.623 0.030 1 303 36 36 PRO CA C 63.782 0.300 1 304 36 36 PRO CB C 31.862 0.300 1 305 36 36 PRO CD C 49.646 0.300 1 306 37 37 GLY HA2 H 4.037 0.030 2 307 37 37 GLY HA3 H 3.969 0.030 2 308 37 37 GLY C C 174.966 0.300 1 309 37 37 GLY CA C 45.411 0.300 1 310 38 38 GLY H H 8.197 0.030 1 311 38 38 GLY HA2 H 4.037 0.030 2 312 38 38 GLY HA3 H 3.969 0.030 2 313 38 38 GLY C C 174.461 0.300 1 314 38 38 GLY CA C 45.411 0.300 1 315 38 38 GLY N N 108.864 0.300 1 316 39 39 THR H H 7.875 0.030 1 317 39 39 THR HA H 4.323 0.030 1 318 39 39 THR HB H 4.185 0.030 1 319 39 39 THR HG2 H 1.174 0.030 1 320 39 39 THR C C 174.202 0.300 1 321 39 39 THR CA C 61.516 0.300 1 322 39 39 THR CB C 70.171 0.300 1 323 39 39 THR CG2 C 21.616 0.300 1 324 39 39 THR N N 112.961 0.300 1 325 40 40 ALA H H 8.261 0.030 1 326 40 40 ALA HA H 4.216 0.030 1 327 40 40 ALA HB H 1.214 0.030 1 328 40 40 ALA C C 176.924 0.300 1 329 40 40 ALA CA C 52.481 0.300 1 330 40 40 ALA CB C 19.402 0.300 1 331 40 40 ALA N N 126.433 0.300 1 332 41 41 GLN H H 8.003 0.030 1 333 41 41 GLN HA H 4.443 0.030 1 334 41 41 GLN HB2 H 2.040 0.030 2 335 41 41 GLN HB3 H 1.805 0.030 2 336 41 41 GLN HG2 H 2.270 0.030 1 337 41 41 GLN HG3 H 2.270 0.030 1 338 41 41 GLN HE21 H 7.431 0.030 2 339 41 41 GLN HE22 H 6.833 0.030 2 340 41 41 GLN C C 175.231 0.300 1 341 41 41 GLN CA C 54.433 0.300 1 342 41 41 GLN CB C 30.408 0.300 1 343 41 41 GLN CG C 33.705 0.300 1 344 41 41 GLN N N 119.688 0.300 1 345 41 41 GLN NE2 N 112.663 0.300 1 346 42 42 TRP H H 8.070 0.030 1 347 42 42 TRP HA H 4.399 0.030 1 348 42 42 TRP HB2 H 2.989 0.030 2 349 42 42 TRP HB3 H 2.862 0.030 2 350 42 42 TRP HD1 H 7.198 0.030 1 351 42 42 TRP HE1 H 10.010 0.030 1 352 42 42 TRP HE3 H 7.033 0.030 1 353 42 42 TRP HZ2 H 7.287 0.030 1 354 42 42 TRP HZ3 H 6.839 0.030 1 355 42 42 TRP HH2 H 6.857 0.030 1 356 42 42 TRP C C 177.309 0.300 1 357 42 42 TRP CA C 57.295 0.300 1 358 42 42 TRP CB C 31.652 0.300 1 359 42 42 TRP CD1 C 127.736 0.300 1 360 42 42 TRP CE3 C 119.178 0.300 1 361 42 42 TRP CZ2 C 114.553 0.300 1 362 42 42 TRP CZ3 C 122.097 0.300 1 363 42 42 TRP CH2 C 124.099 0.300 1 364 42 42 TRP N N 122.409 0.300 1 365 42 42 TRP NE1 N 129.336 0.300 1 366 43 43 GLN H H 9.061 0.030 1 367 43 43 GLN HA H 4.815 0.030 1 368 43 43 GLN HB2 H 1.983 0.030 2 369 43 43 GLN HB3 H 1.620 0.030 2 370 43 43 GLN HG2 H 2.148 0.030 2 371 43 43 GLN HG3 H 2.213 0.030 2 372 43 43 GLN HE21 H 7.318 0.030 2 373 43 43 GLN HE22 H 6.733 0.030 2 374 43 43 GLN C C 175.903 0.300 1 375 43 43 GLN CA C 54.588 0.300 1 376 43 43 GLN CB C 32.650 0.300 1 377 43 43 GLN CG C 34.360 0.300 1 378 43 43 GLN N N 120.377 0.300 1 379 43 43 GLN NE2 N 111.901 0.300 1 380 44 44 LYS H H 8.771 0.030 1 381 44 44 LYS HA H 4.766 0.030 1 382 44 44 LYS HB2 H 1.873 0.030 2 383 44 44 LYS HB3 H 2.033 0.030 2 384 44 44 LYS HG2 H 1.466 0.030 2 385 44 44 LYS HG3 H 1.673 0.030 2 386 44 44 LYS HD2 H 1.766 0.030 1 387 44 44 LYS HD3 H 1.766 0.030 1 388 44 44 LYS HE2 H 3.005 0.030 1 389 44 44 LYS HE3 H 3.005 0.030 1 390 44 44 LYS C C 176.227 0.300 1 391 44 44 LYS CA C 57.764 0.300 1 392 44 44 LYS CB C 32.981 0.300 1 393 44 44 LYS CG C 25.934 0.300 1 394 44 44 LYS CD C 29.540 0.300 1 395 44 44 LYS CE C 41.991 0.300 1 396 44 44 LYS N N 123.501 0.300 1 397 45 45 CYS H H 9.224 0.030 1 398 45 45 CYS HA H 5.743 0.030 1 399 45 45 CYS HB2 H 2.899 0.030 2 400 45 45 CYS HB3 H 2.867 0.030 2 401 45 45 CYS C C 173.225 0.300 1 402 45 45 CYS CA C 55.332 0.300 1 403 45 45 CYS CB C 33.475 0.300 1 404 45 45 CYS N N 117.076 0.300 1 405 46 46 ARG H H 8.883 0.030 1 406 46 46 ARG HA H 5.228 0.030 1 407 46 46 ARG HB2 H 1.936 0.030 2 408 46 46 ARG HB3 H 2.103 0.030 2 409 46 46 ARG HG2 H 1.280 0.030 2 410 46 46 ARG HG3 H 1.610 0.030 2 411 46 46 ARG HD2 H 3.212 0.030 2 412 46 46 ARG HD3 H 2.833 0.030 2 413 46 46 ARG HE H 7.183 0.030 1 414 46 46 ARG C C 173.629 0.300 1 415 46 46 ARG CA C 55.157 0.300 1 416 46 46 ARG CB C 33.429 0.300 1 417 46 46 ARG CG C 27.717 0.300 1 418 46 46 ARG CD C 43.441 0.300 1 419 46 46 ARG N N 123.243 0.300 1 420 46 46 ARG NE N 83.034 0.300 1 421 47 47 LEU H H 9.211 0.030 1 422 47 47 LEU HA H 5.034 0.030 1 423 47 47 LEU HB2 H 0.430 0.030 2 424 47 47 LEU HB3 H 1.400 0.030 2 425 47 47 LEU HG H 0.733 0.030 1 426 47 47 LEU HD1 H -0.524 0.030 1 427 47 47 LEU HD2 H -0.665 0.030 1 428 47 47 LEU C C 174.341 0.300 1 429 47 47 LEU CA C 53.055 0.300 1 430 47 47 LEU CB C 45.310 0.300 1 431 47 47 LEU CG C 26.622 0.300 1 432 47 47 LEU CD1 C 21.670 0.300 2 433 47 47 LEU CD2 C 25.086 0.300 2 434 47 47 LEU N N 131.015 0.300 1 435 48 48 LEU H H 9.148 0.030 1 436 48 48 LEU HA H 5.394 0.030 1 437 48 48 LEU HB2 H 1.658 0.030 2 438 48 48 LEU HB3 H 1.983 0.030 2 439 48 48 LEU HG H 1.663 0.030 1 440 48 48 LEU HD1 H 0.994 0.030 1 441 48 48 LEU HD2 H 1.038 0.030 1 442 48 48 LEU C C 174.441 0.300 1 443 48 48 LEU CA C 53.994 0.300 1 444 48 48 LEU CB C 47.083 0.300 1 445 48 48 LEU CG C 28.364 0.300 1 446 48 48 LEU CD1 C 25.381 0.300 2 447 48 48 LEU CD2 C 25.919 0.300 2 448 48 48 LEU N N 126.082 0.300 1 449 49 49 LEU H H 9.273 0.030 1 450 49 49 LEU HA H 5.393 0.030 1 451 49 49 LEU HB2 H 2.080 0.030 2 452 49 49 LEU HB3 H 1.479 0.030 2 453 49 49 LEU HG H 1.463 0.030 1 454 49 49 LEU HD1 H 0.711 0.030 1 455 49 49 LEU HD2 H 0.951 0.030 1 456 49 49 LEU C C 174.632 0.300 1 457 49 49 LEU CA C 53.848 0.300 1 458 49 49 LEU CB C 44.468 0.300 1 459 49 49 LEU CG C 28.102 0.300 1 460 49 49 LEU CD1 C 26.063 0.300 2 461 49 49 LEU CD2 C 23.838 0.300 2 462 49 49 LEU N N 127.191 0.300 1 463 50 50 ARG H H 9.348 0.030 1 464 50 50 ARG HA H 5.378 0.030 1 465 50 50 ARG HB2 H 1.812 0.030 1 466 50 50 ARG HB3 H 1.812 0.030 1 467 50 50 ARG HG2 H 1.555 0.030 1 468 50 50 ARG HG3 H 1.555 0.030 1 469 50 50 ARG HD2 H 3.093 0.030 2 470 50 50 ARG HD3 H 3.193 0.030 2 471 50 50 ARG HE H 7.857 0.030 1 472 50 50 ARG C C 174.666 0.300 1 473 50 50 ARG CA C 54.071 0.300 1 474 50 50 ARG CB C 33.796 0.300 1 475 50 50 ARG CG C 26.394 0.300 1 476 50 50 ARG CD C 43.648 0.300 1 477 50 50 ARG N N 125.207 0.300 1 478 50 50 ARG NE N 84.784 0.300 1 479 51 51 ARG H H 8.832 0.030 1 480 51 51 ARG HA H 4.439 0.030 1 481 51 51 ARG HB2 H 1.612 0.030 2 482 51 51 ARG HB3 H 1.699 0.030 2 483 51 51 ARG HG2 H 1.463 0.030 1 484 51 51 ARG HG3 H 1.463 0.030 1 485 51 51 ARG HD2 H 3.113 0.030 2 486 51 51 ARG HD3 H 3.293 0.030 2 487 51 51 ARG C C 174.966 0.300 1 488 51 51 ARG CA C 56.079 0.300 1 489 51 51 ARG CB C 31.616 0.300 1 490 51 51 ARG CG C 28.012 0.300 1 491 51 51 ARG CD C 43.582 0.300 1 492 51 51 ARG N N 122.911 0.300 1 493 52 52 ALA H H 7.901 0.030 1 494 52 52 ALA HA H 4.517 0.030 1 495 52 52 ALA HB H 1.291 0.030 1 496 52 52 ALA C C 176.636 0.300 1 497 52 52 ALA CA C 50.992 0.300 1 498 52 52 ALA CB C 21.612 0.300 1 499 52 52 ALA N N 126.691 0.300 1 500 53 53 VAL H H 7.729 0.030 1 501 53 53 VAL HA H 4.176 0.030 1 502 53 53 VAL HB H 2.187 0.030 1 503 53 53 VAL HG1 H 0.898 0.030 1 504 53 53 VAL HG2 H 0.927 0.030 1 505 53 53 VAL C C 175.735 0.300 1 506 53 53 VAL CA C 61.814 0.300 1 507 53 53 VAL CB C 33.467 0.300 1 508 53 53 VAL CG1 C 19.613 0.300 2 509 53 53 VAL CG2 C 21.238 0.300 2 510 53 53 VAL N N 115.377 0.300 1 511 54 54 ALA H H 8.333 0.030 1 512 54 54 ALA HA H 4.218 0.030 1 513 54 54 ALA HB H 1.408 0.030 1 514 54 54 ALA CA C 53.225 0.300 1 515 54 54 ALA CB C 18.713 0.300 1 516 54 54 ALA N N 124.147 0.300 1 517 55 55 GLY H H 8.046 0.030 1 518 55 55 GLY HA2 H 3.690 0.030 2 519 55 55 GLY HA3 H 4.135 0.030 2 520 55 55 GLY C C 174.608 0.300 1 521 55 55 GLY CA C 45.569 0.300 1 522 56 56 GLU H H 8.033 0.030 1 523 56 56 GLU HA H 4.330 0.030 1 524 56 56 GLU HB2 H 2.071 0.030 2 525 56 56 GLU HB3 H 2.001 0.030 2 526 56 56 GLU HG2 H 2.343 0.030 2 527 56 56 GLU HG3 H 2.253 0.030 2 528 56 56 GLU C C 177.167 0.300 1 529 56 56 GLU CA C 56.515 0.300 1 530 56 56 GLU CB C 30.767 0.300 1 531 56 56 GLU CG C 36.422 0.300 1 532 56 56 GLU N N 120.929 0.300 1 533 57 57 ARG H H 8.253 0.030 1 534 57 57 ARG HA H 3.912 0.030 1 535 57 57 ARG HB2 H 1.763 0.030 2 536 57 57 ARG HB3 H 2.126 0.030 2 537 57 57 ARG HG2 H 1.603 0.030 2 538 57 57 ARG HG3 H 1.473 0.030 2 539 57 57 ARG HD2 H 3.263 0.030 1 540 57 57 ARG HD3 H 3.263 0.030 1 541 57 57 ARG C C 176.637 0.300 1 542 57 57 ARG CA C 59.375 0.300 1 543 57 57 ARG CB C 30.560 0.300 1 544 57 57 ARG CG C 27.879 0.300 1 545 57 57 ARG CD C 43.483 0.300 1 546 57 57 ARG N N 117.648 0.300 1 547 58 58 PHE H H 8.930 0.030 1 548 58 58 PHE HA H 5.411 0.030 1 549 58 58 PHE HB2 H 3.022 0.030 2 550 58 58 PHE HB3 H 2.769 0.030 2 551 58 58 PHE HD1 H 7.148 0.030 1 552 58 58 PHE HD2 H 7.148 0.030 1 553 58 58 PHE HE1 H 7.334 0.030 1 554 58 58 PHE HE2 H 7.334 0.030 1 555 58 58 PHE HZ H 7.344 0.030 1 556 58 58 PHE C C 175.291 0.300 1 557 58 58 PHE CA C 57.271 0.300 1 558 58 58 PHE CB C 44.079 0.300 1 559 58 58 PHE CD1 C 132.171 0.300 1 560 58 58 PHE CD2 C 132.171 0.300 1 561 58 58 PHE CE1 C 131.512 0.300 1 562 58 58 PHE CE2 C 131.512 0.300 1 563 58 58 PHE CZ C 130.371 0.300 1 564 58 58 PHE N N 117.545 0.300 1 565 59 59 ARG H H 9.134 0.030 1 566 59 59 ARG HA H 5.033 0.030 1 567 59 59 ARG HB2 H 1.461 0.030 2 568 59 59 ARG HB3 H 1.572 0.030 2 569 59 59 ARG HG2 H 1.463 0.030 1 570 59 59 ARG HG3 H 1.463 0.030 1 571 59 59 ARG HD2 H 2.982 0.030 1 572 59 59 ARG HD3 H 2.982 0.030 1 573 59 59 ARG C C 173.393 0.300 1 574 59 59 ARG CA C 55.183 0.300 1 575 59 59 ARG CB C 34.878 0.300 1 576 59 59 ARG CG C 27.872 0.300 1 577 59 59 ARG CD C 43.651 0.300 1 578 59 59 ARG N N 119.174 0.300 1 579 60 60 LEU H H 8.904 0.030 1 580 60 60 LEU HA H 5.406 0.030 1 581 60 60 LEU HB2 H 1.383 0.030 2 582 60 60 LEU HB3 H 1.521 0.030 2 583 60 60 LEU HG H 1.393 0.030 1 584 60 60 LEU HD1 H 0.795 0.030 1 585 60 60 LEU HD2 H 0.763 0.030 1 586 60 60 LEU C C 175.543 0.300 1 587 60 60 LEU CA C 53.160 0.300 1 588 60 60 LEU CB C 44.776 0.300 1 589 60 60 LEU CG C 26.852 0.300 1 590 60 60 LEU CD1 C 25.655 0.300 2 591 60 60 LEU CD2 C 26.129 0.300 2 592 60 60 LEU N N 123.464 0.300 1 593 61 61 GLU H H 9.437 0.030 1 594 61 61 GLU HA H 5.117 0.030 1 595 61 61 GLU HB2 H 2.183 0.030 2 596 61 61 GLU HB3 H 1.564 0.030 2 597 61 61 GLU HG2 H 2.159 0.030 2 598 61 61 GLU HG3 H 2.100 0.030 2 599 61 61 GLU C C 173.825 0.300 1 600 61 61 GLU CA C 55.040 0.300 1 601 61 61 GLU CB C 33.837 0.300 1 602 61 61 GLU CG C 37.186 0.300 1 603 61 61 GLU N N 123.353 0.300 1 604 62 62 PHE H H 8.624 0.030 1 605 62 62 PHE HA H 4.873 0.030 1 606 62 62 PHE HB2 H 2.876 0.030 2 607 62 62 PHE HB3 H 2.003 0.030 2 608 62 62 PHE HD1 H 6.325 0.030 1 609 62 62 PHE HD2 H 6.325 0.030 1 610 62 62 PHE HE1 H 6.331 0.030 1 611 62 62 PHE HE2 H 6.331 0.030 1 612 62 62 PHE HZ H 6.282 0.030 1 613 62 62 PHE C C 174.727 0.300 1 614 62 62 PHE CA C 55.445 0.300 1 615 62 62 PHE CB C 39.841 0.300 1 616 62 62 PHE CD1 C 131.725 0.300 1 617 62 62 PHE CD2 C 131.725 0.300 1 618 62 62 PHE CE1 C 129.924 0.300 1 619 62 62 PHE CE2 C 129.924 0.300 1 620 62 62 PHE CZ C 127.645 0.300 1 621 62 62 PHE N N 120.884 0.300 1 622 63 63 PHE H H 9.759 0.030 1 623 63 63 PHE HA H 4.513 0.030 1 624 63 63 PHE HB2 H 3.349 0.030 2 625 63 63 PHE HB3 H 2.933 0.030 2 626 63 63 PHE HD1 H 7.054 0.030 1 627 63 63 PHE HD2 H 7.054 0.030 1 628 63 63 PHE HE1 H 7.075 0.030 1 629 63 63 PHE HE2 H 7.075 0.030 1 630 63 63 PHE HZ H 7.265 0.030 1 631 63 63 PHE C C 174.011 0.300 1 632 63 63 PHE CA C 58.410 0.300 1 633 63 63 PHE CB C 39.405 0.300 1 634 63 63 PHE CD1 C 132.137 0.300 1 635 63 63 PHE CD2 C 132.137 0.300 1 636 63 63 PHE CE1 C 131.290 0.300 1 637 63 63 PHE CE2 C 131.290 0.300 1 638 63 63 PHE CZ C 129.336 0.300 1 639 63 63 PHE N N 124.570 0.300 1 640 64 64 VAL H H 8.904 0.030 1 641 64 64 VAL HA H 4.315 0.030 1 642 64 64 VAL HB H 2.032 0.030 1 643 64 64 VAL HG1 H 1.138 0.030 1 644 64 64 VAL HG2 H 1.047 0.030 1 645 64 64 VAL C C 174.845 0.300 1 646 64 64 VAL CA C 59.320 0.300 1 647 64 64 VAL CB C 36.132 0.300 1 648 64 64 VAL CG1 C 20.506 0.300 2 649 64 64 VAL CG2 C 21.225 0.300 2 650 64 64 VAL N N 125.520 0.300 1 651 65 65 PRO HA H 5.277 0.030 1 652 65 65 PRO HB2 H 2.583 0.030 1 653 65 65 PRO HB3 H 2.583 0.030 1 654 65 65 PRO HG2 H 1.794 0.030 2 655 65 65 PRO HG3 H 2.108 0.030 2 656 65 65 PRO HD2 H 3.814 0.030 2 657 65 65 PRO HD3 H 3.642 0.030 2 658 65 65 PRO CA C 63.664 0.300 1 659 65 65 PRO CB C 32.495 0.300 1 660 65 65 PRO CG C 25.409 0.300 1 661 65 65 PRO CD C 49.996 0.300 1 662 66 66 PRO HA H 4.295 0.030 1 663 66 66 PRO HB2 H 2.410 0.030 2 664 66 66 PRO HB3 H 1.965 0.030 2 665 66 66 PRO HG2 H 1.634 0.030 2 666 66 66 PRO HG3 H 2.244 0.030 2 667 66 66 PRO HD2 H 3.873 0.030 2 668 66 66 PRO HD3 H 3.803 0.030 2 669 66 66 PRO C C 177.066 0.300 1 670 66 66 PRO CA C 66.477 0.300 1 671 66 66 PRO CB C 32.667 0.300 1 672 66 66 PRO CG C 27.977 0.300 1 673 66 66 PRO CD C 49.926 0.300 1 674 67 67 LYS H H 7.833 0.030 1 675 67 67 LYS HA H 4.302 0.030 1 676 67 67 LYS HB2 H 1.995 0.030 2 677 67 67 LYS HB3 H 1.763 0.030 2 678 67 67 LYS HG2 H 1.353 0.030 2 679 67 67 LYS HG3 H 1.424 0.030 2 680 67 67 LYS HD2 H 1.663 0.030 1 681 67 67 LYS HD3 H 1.663 0.030 1 682 67 67 LYS HE2 H 3.011 0.030 1 683 67 67 LYS HE3 H 3.011 0.030 1 684 67 67 LYS C C 176.336 0.300 1 685 67 67 LYS CA C 55.739 0.300 1 686 67 67 LYS CB C 31.450 0.300 1 687 67 67 LYS CG C 25.202 0.300 1 688 67 67 LYS CD C 29.090 0.300 1 689 67 67 LYS CE C 42.003 0.300 1 690 67 67 LYS N N 112.009 0.300 1 691 68 68 ALA H H 8.131 0.030 1 692 68 68 ALA HA H 4.267 0.030 1 693 68 68 ALA HB H 1.729 0.030 1 694 68 68 ALA C C 177.143 0.300 1 695 68 68 ALA CA C 52.921 0.300 1 696 68 68 ALA CB C 20.333 0.300 1 697 68 68 ALA N N 124.515 0.300 1 698 69 69 SER H H 8.464 0.030 1 699 69 69 SER HA H 4.424 0.030 1 700 69 69 SER HB2 H 4.013 0.030 2 701 69 69 SER HB3 H 3.952 0.030 2 702 69 69 SER C C 174.727 0.300 1 703 69 69 SER CA C 59.690 0.300 1 704 69 69 SER CB C 63.881 0.300 1 705 69 69 SER N N 121.380 0.300 1 706 70 70 ARG H H 7.802 0.030 1 707 70 70 ARG HA H 5.002 0.030 1 708 70 70 ARG HB2 H 1.719 0.030 2 709 70 70 ARG HB3 H 1.858 0.030 2 710 70 70 ARG HG2 H 1.673 0.030 1 711 70 70 ARG HG3 H 1.673 0.030 1 712 70 70 ARG HD2 H 3.250 0.030 1 713 70 70 ARG HD3 H 3.250 0.030 1 714 70 70 ARG C C 173.346 0.300 1 715 70 70 ARG CA C 52.594 0.300 1 716 70 70 ARG CB C 31.758 0.300 1 717 70 70 ARG CG C 26.692 0.300 1 718 70 70 ARG CD C 43.326 0.300 1 719 70 70 ARG N N 120.307 0.300 1 720 71 71 PRO HA H 3.559 0.030 1 721 71 71 PRO HB2 H 1.392 0.030 2 722 71 71 PRO HB3 H 0.636 0.030 2 723 71 71 PRO HG2 H 1.769 0.030 2 724 71 71 PRO HG3 H 1.623 0.030 2 725 71 71 PRO HD2 H 3.618 0.030 1 726 71 71 PRO HD3 H 3.618 0.030 1 727 71 71 PRO C C 175.873 0.300 1 728 71 71 PRO CA C 62.875 0.300 1 729 71 71 PRO CB C 31.409 0.300 1 730 71 71 PRO CG C 25.882 0.300 1 731 71 71 PRO CD C 50.258 0.300 1 732 72 72 LYS H H 8.664 0.030 1 733 72 72 LYS HA H 4.213 0.030 1 734 72 72 LYS HB2 H 2.233 0.030 2 735 72 72 LYS HB3 H 1.643 0.030 2 736 72 72 LYS HG2 H 1.591 0.030 2 737 72 72 LYS HG3 H 1.527 0.030 2 738 72 72 LYS HD2 H 1.803 0.030 2 739 72 72 LYS HD3 H 1.693 0.030 2 740 72 72 LYS HE2 H 3.093 0.030 2 741 72 72 LYS HE3 H 3.053 0.030 2 742 72 72 LYS C C 176.359 0.300 1 743 72 72 LYS CA C 57.218 0.300 1 744 72 72 LYS CB C 33.937 0.300 1 745 72 72 LYS CG C 25.128 0.300 1 746 72 72 LYS CD C 29.336 0.300 1 747 72 72 LYS CE C 42.250 0.300 1 748 72 72 LYS N N 125.455 0.300 1 749 73 73 VAL H H 7.144 0.030 1 750 73 73 VAL HA H 4.184 0.030 1 751 73 73 VAL HB H 1.384 0.030 1 752 73 73 VAL HG1 H 0.461 0.030 1 753 73 73 VAL HG2 H 0.650 0.030 1 754 73 73 VAL C C 174.005 0.300 1 755 73 73 VAL CA C 60.650 0.300 1 756 73 73 VAL CB C 35.272 0.300 1 757 73 73 VAL CG1 C 20.666 0.300 2 758 73 73 VAL CG2 C 20.267 0.300 2 759 73 73 VAL N N 115.496 0.300 1 760 74 74 SER H H 8.503 0.030 1 761 74 74 SER HA H 5.286 0.030 1 762 74 74 SER HB2 H 3.458 0.030 2 763 74 74 SER HB3 H 3.628 0.030 2 764 74 74 SER C C 173.820 0.300 1 765 74 74 SER CA C 56.700 0.300 1 766 74 74 SER CB C 63.486 0.300 1 767 74 74 SER N N 122.081 0.300 1 768 75 75 ILE H H 9.393 0.030 1 769 75 75 ILE HA H 4.782 0.030 1 770 75 75 ILE HB H 1.839 0.030 1 771 75 75 ILE HG12 H 1.377 0.030 2 772 75 75 ILE HG13 H 0.884 0.030 2 773 75 75 ILE HG2 H 0.908 0.030 1 774 75 75 ILE HD1 H 0.374 0.030 1 775 75 75 ILE CA C 57.667 0.300 1 776 75 75 ILE CB C 42.118 0.300 1 777 75 75 ILE CG1 C 26.625 0.300 1 778 75 75 ILE CG2 C 17.520 0.300 1 779 75 75 ILE CD1 C 13.617 0.300 1 780 75 75 ILE N N 127.126 0.300 1 781 76 76 PRO HA H 4.853 0.030 1 782 76 76 PRO HB2 H 2.223 0.030 1 783 76 76 PRO HB3 H 2.223 0.030 1 784 76 76 PRO HG2 H 2.054 0.030 2 785 76 76 PRO HG3 H 2.233 0.030 2 786 76 76 PRO HD2 H 3.862 0.030 1 787 76 76 PRO HD3 H 3.862 0.030 1 788 76 76 PRO C C 178.117 0.300 1 789 76 76 PRO CA C 62.400 0.300 1 790 76 76 PRO CB C 31.646 0.300 1 791 76 76 PRO CG C 27.270 0.300 1 792 76 76 PRO CD C 50.961 0.300 1 793 77 77 LEU H H 8.336 0.030 1 794 77 77 LEU HA H 3.963 0.030 1 795 77 77 LEU HB2 H 1.864 0.030 1 796 77 77 LEU HB3 H 1.864 0.030 1 797 77 77 LEU HG H 1.823 0.030 1 798 77 77 LEU HD1 H 0.912 0.030 1 799 77 77 LEU HD2 H 0.825 0.030 1 800 77 77 LEU C C 179.047 0.300 1 801 77 77 LEU CA C 57.254 0.300 1 802 77 77 LEU CB C 39.918 0.300 1 803 77 77 LEU CG C 28.682 0.300 1 804 77 77 LEU CD1 C 25.488 0.300 2 805 77 77 LEU CD2 C 24.244 0.300 2 806 77 77 LEU N N 126.027 0.300 1 807 78 78 SER H H 8.576 0.030 1 808 78 78 SER HA H 4.277 0.030 1 809 78 78 SER HB2 H 4.053 0.030 1 810 78 78 SER HB3 H 4.053 0.030 1 811 78 78 SER C C 174.954 0.300 1 812 78 78 SER CA C 60.180 0.300 1 813 78 78 SER CB C 62.378 0.300 1 814 78 78 SER N N 111.794 0.300 1 815 79 79 ALA H H 7.943 0.030 1 816 79 79 ALA HA H 4.532 0.030 1 817 79 79 ALA HB H 1.634 0.030 1 818 79 79 ALA C C 176.864 0.300 1 819 79 79 ALA CA C 52.250 0.300 1 820 79 79 ALA CB C 19.787 0.300 1 821 79 79 ALA N N 123.132 0.300 1 822 80 80 ILE H H 7.577 0.030 1 823 80 80 ILE HA H 4.194 0.030 1 824 80 80 ILE HB H 2.160 0.030 1 825 80 80 ILE HG12 H 1.738 0.030 2 826 80 80 ILE HG13 H 1.067 0.030 2 827 80 80 ILE HG2 H 0.820 0.030 1 828 80 80 ILE HD1 H 0.863 0.030 1 829 80 80 ILE C C 175.747 0.300 1 830 80 80 ILE CA C 61.866 0.300 1 831 80 80 ILE CB C 37.011 0.300 1 832 80 80 ILE CG1 C 28.329 0.300 1 833 80 80 ILE CG2 C 17.801 0.300 1 834 80 80 ILE CD1 C 13.882 0.300 1 835 80 80 ILE N N 118.510 0.300 1 836 81 81 ILE H H 8.858 0.030 1 837 81 81 ILE HA H 4.437 0.030 1 838 81 81 ILE HB H 1.916 0.030 1 839 81 81 ILE HG12 H 0.974 0.030 2 840 81 81 ILE HG13 H 1.285 0.030 2 841 81 81 ILE HG2 H 0.953 0.030 1 842 81 81 ILE HD1 H 0.845 0.030 1 843 81 81 ILE C C 176.492 0.300 1 844 81 81 ILE CA C 61.238 0.300 1 845 81 81 ILE CB C 39.055 0.300 1 846 81 81 ILE CG1 C 26.850 0.300 1 847 81 81 ILE CG2 C 17.946 0.300 1 848 81 81 ILE CD1 C 13.391 0.300 1 849 81 81 ILE N N 123.713 0.300 1 850 82 82 GLU H H 7.632 0.030 1 851 82 82 GLU HA H 4.578 0.030 1 852 82 82 GLU HB2 H 2.018 0.030 1 853 82 82 GLU HB3 H 2.018 0.030 1 854 82 82 GLU HG2 H 2.257 0.030 2 855 82 82 GLU HG3 H 2.060 0.030 2 856 82 82 GLU C C 173.381 0.300 1 857 82 82 GLU CA C 56.603 0.300 1 858 82 82 GLU CB C 34.084 0.300 1 859 82 82 GLU CG C 36.739 0.300 1 860 82 82 GLU N N 119.612 0.300 1 861 83 83 VAL H H 8.671 0.030 1 862 83 83 VAL HA H 5.090 0.030 1 863 83 83 VAL HB H 2.142 0.030 1 864 83 83 VAL HG1 H 0.963 0.030 1 865 83 83 VAL HG2 H 0.963 0.030 1 866 83 83 VAL C C 174.786 0.300 1 867 83 83 VAL CA C 60.635 0.300 1 868 83 83 VAL CB C 32.927 0.300 1 869 83 83 VAL CG1 C 21.561 0.300 2 870 83 83 VAL CG2 C 21.075 0.300 2 871 83 83 VAL N N 124.992 0.300 1 872 84 84 ARG H H 9.293 0.030 1 873 84 84 ARG HA H 4.973 0.030 1 874 84 84 ARG HB2 H 1.779 0.030 2 875 84 84 ARG HB3 H 2.023 0.030 2 876 84 84 ARG HG2 H 1.593 0.030 2 877 84 84 ARG HG3 H 1.494 0.030 2 878 84 84 ARG HD2 H 3.313 0.030 2 879 84 84 ARG HD3 H 3.113 0.030 2 880 84 84 ARG C C 176.006 0.300 1 881 84 84 ARG CA C 55.117 0.300 1 882 84 84 ARG CB C 32.922 0.300 1 883 84 84 ARG CG C 27.062 0.300 1 884 84 84 ARG N N 124.626 0.300 1 885 85 85 THR HA H 4.539 0.030 1 886 85 85 THR HB H 4.400 0.030 1 887 85 85 THR HG2 H 1.276 0.030 1 888 85 85 THR CA C 62.324 0.300 1 889 85 85 THR CB C 69.353 0.300 1 890 85 85 THR CG2 C 22.048 0.300 1 891 86 86 THR H H 7.775 0.030 1 892 86 86 THR HA H 4.514 0.030 1 893 86 86 THR HB H 4.177 0.030 1 894 86 86 THR HG2 H 1.172 0.030 1 895 86 86 THR CA C 61.304 0.300 1 896 86 86 THR CB C 69.930 0.300 1 897 86 86 THR CG2 C 21.804 0.300 1 898 86 86 THR N N 116.721 0.300 1 899 87 87 MET H H 8.713 0.030 1 900 87 87 MET HA H 4.911 0.030 1 901 87 87 MET HB2 H 2.161 0.030 2 902 87 87 MET HB3 H 1.963 0.030 2 903 87 87 MET HG2 H 2.545 0.030 2 904 87 87 MET HG3 H 2.783 0.030 2 905 87 87 MET HE H 2.070 0.030 1 906 87 87 MET CA C 52.918 0.300 1 907 87 87 MET CB C 32.502 0.300 1 908 87 87 MET CG C 32.482 0.300 1 909 87 87 MET CE C 17.725 0.300 1 910 87 87 MET N N 124.467 0.300 1 911 88 88 PRO HA H 4.420 0.030 1 912 88 88 PRO HB2 H 2.418 0.030 2 913 88 88 PRO HB3 H 1.907 0.030 2 914 88 88 PRO HG2 H 2.100 0.030 1 915 88 88 PRO HG3 H 2.100 0.030 1 916 88 88 PRO HD2 H 3.743 0.030 2 917 88 88 PRO HD3 H 3.983 0.030 2 918 88 88 PRO C C 176.923 0.300 1 919 88 88 PRO CA C 63.949 0.300 1 920 88 88 PRO CB C 32.187 0.300 1 921 88 88 PRO CG C 27.645 0.300 1 922 88 88 PRO CD C 50.792 0.300 1 923 89 89 LEU H H 8.257 0.030 1 924 89 89 LEU HA H 4.173 0.030 1 925 89 89 LEU HB2 H 1.596 0.030 2 926 89 89 LEU HB3 H 1.724 0.030 2 927 89 89 LEU HD1 H 0.924 0.030 1 928 89 89 LEU HD2 H 0.902 0.030 1 929 89 89 LEU C C 177.806 0.300 1 930 89 89 LEU CA C 56.349 0.300 1 931 89 89 LEU CB C 42.021 0.300 1 932 89 89 LEU CD1 C 24.963 0.300 2 933 89 89 LEU CD2 C 23.505 0.300 2 934 89 89 LEU N N 119.393 0.300 1 935 90 90 GLU H H 8.253 0.030 1 936 90 90 GLU HA H 4.243 0.030 1 937 90 90 GLU HB2 H 2.063 0.030 1 938 90 90 GLU HB3 H 2.063 0.030 1 939 90 90 GLU HG2 H 2.253 0.030 1 940 90 90 GLU HG3 H 2.253 0.030 1 941 90 90 GLU C C 176.183 0.300 1 942 90 90 GLU CA C 56.732 0.300 1 943 90 90 GLU CB C 30.177 0.300 1 944 90 90 GLU CG C 36.432 0.300 1 945 90 90 GLU N N 117.364 0.300 1 946 91 91 MET H H 8.008 0.030 1 947 91 91 MET HA H 4.207 0.030 1 948 91 91 MET HB2 H 2.211 0.030 2 949 91 91 MET HB3 H 2.274 0.030 2 950 91 91 MET HG2 H 2.573 0.030 1 951 91 91 MET HG3 H 2.573 0.030 1 952 91 91 MET HE H 2.142 0.030 1 953 91 91 MET C C 173.902 0.300 1 954 91 91 MET CA C 52.649 0.300 1 955 91 91 MET CB C 36.142 0.300 1 956 91 91 MET CG C 32.512 0.300 1 957 91 91 MET CE C 17.624 0.300 1 958 91 91 MET N N 119.384 0.300 1 959 92 92 PRO HA H 4.353 0.030 1 960 92 92 PRO HB2 H 2.379 0.030 2 961 92 92 PRO HB3 H 1.957 0.030 2 962 92 92 PRO HG2 H 2.093 0.030 1 963 92 92 PRO HG3 H 2.093 0.030 1 964 92 92 PRO HD2 H 3.751 0.030 1 965 92 92 PRO HD3 H 3.751 0.030 1 966 92 92 PRO C C 177.806 0.300 1 967 92 92 PRO CA C 64.477 0.300 1 968 92 92 PRO CB C 31.946 0.300 1 969 92 92 PRO CG C 27.678 0.300 1 970 92 92 PRO CD C 50.757 0.300 1 971 93 93 GLU H H 8.994 0.030 1 972 93 93 GLU HA H 4.235 0.030 1 973 93 93 GLU HB2 H 2.138 0.030 2 974 93 93 GLU HB3 H 2.042 0.030 2 975 93 93 GLU HG2 H 2.268 0.030 1 976 93 93 GLU HG3 H 2.268 0.030 1 977 93 93 GLU C C 177.116 0.300 1 978 93 93 GLU CA C 57.347 0.300 1 979 93 93 GLU CB C 28.586 0.300 1 980 93 93 GLU CG C 36.245 0.300 1 981 93 93 GLU N N 118.035 0.300 1 982 94 94 LYS H H 7.892 0.030 1 983 94 94 LYS HA H 4.316 0.030 1 984 94 94 LYS HB2 H 1.805 0.030 2 985 94 94 LYS HB3 H 1.923 0.030 2 986 94 94 LYS HG2 H 1.422 0.030 2 987 94 94 LYS HG3 H 1.493 0.030 2 988 94 94 LYS HD2 H 1.728 0.030 1 989 94 94 LYS HD3 H 1.728 0.030 1 990 94 94 LYS HE2 H 3.003 0.030 1 991 94 94 LYS HE3 H 3.003 0.030 1 992 94 94 LYS C C 176.877 0.300 1 993 94 94 LYS CA C 56.982 0.300 1 994 94 94 LYS CB C 33.382 0.300 1 995 94 94 LYS CG C 24.712 0.300 1 996 94 94 LYS CD C 29.002 0.300 1 997 94 94 LYS CE C 42.155 0.300 1 998 94 94 LYS N N 120.442 0.300 1 999 95 95 ASP H H 8.464 0.030 1 1000 95 95 ASP HA H 4.403 0.030 1 1001 95 95 ASP HB2 H 2.604 0.030 2 1002 95 95 ASP HB3 H 2.855 0.030 2 1003 95 95 ASP CA C 55.542 0.300 1 1004 96 96 ASN H H 8.223 0.030 1 1005 96 96 ASN HA H 4.653 0.030 1 1006 96 96 ASN HB2 H 3.054 0.030 2 1007 96 96 ASN HB3 H 2.393 0.030 2 1008 96 96 ASN HD21 H 6.543 0.030 2 1009 96 96 ASN HD22 H 7.253 0.030 2 1010 96 96 ASN C C 173.964 0.300 1 1011 96 96 ASN CA C 52.412 0.300 1 1012 96 96 ASN CB C 37.631 0.300 1 1013 96 96 ASN N N 115.166 0.300 1 1014 96 96 ASN ND2 N 110.384 0.300 1 1015 97 97 THR H H 7.938 0.030 1 1016 97 97 THR HA H 6.031 0.030 1 1017 97 97 THR HB H 4.016 0.030 1 1018 97 97 THR HG2 H 1.216 0.030 1 1019 97 97 THR C C 174.318 0.300 1 1020 97 97 THR CA C 59.988 0.300 1 1021 97 97 THR CB C 72.332 0.300 1 1022 97 97 THR CG2 C 22.308 0.300 1 1023 97 97 THR N N 110.263 0.300 1 1024 98 98 PHE H H 9.209 0.030 1 1025 98 98 PHE HA H 5.168 0.030 1 1026 98 98 PHE HB2 H 3.083 0.030 2 1027 98 98 PHE HB3 H 2.826 0.030 2 1028 98 98 PHE HD1 H 6.903 0.030 1 1029 98 98 PHE HD2 H 6.903 0.030 1 1030 98 98 PHE HE1 H 6.790 0.030 1 1031 98 98 PHE HE2 H 6.790 0.030 1 1032 98 98 PHE HZ H 6.363 0.030 1 1033 98 98 PHE C C 171.171 0.300 1 1034 98 98 PHE CA C 56.064 0.300 1 1035 98 98 PHE CB C 41.462 0.300 1 1036 98 98 PHE CD1 C 132.559 0.300 1 1037 98 98 PHE CD2 C 132.559 0.300 1 1038 98 98 PHE CE1 C 130.198 0.300 1 1039 98 98 PHE CE2 C 130.198 0.300 1 1040 98 98 PHE CZ C 129.637 0.300 1 1041 98 98 PHE N N 118.727 0.300 1 1042 99 99 VAL H H 9.083 0.030 1 1043 99 99 VAL HA H 5.305 0.030 1 1044 99 99 VAL HB H 1.846 0.030 1 1045 99 99 VAL HG1 H 0.865 0.030 1 1046 99 99 VAL HG2 H 0.953 0.030 1 1047 99 99 VAL C C 174.869 0.300 1 1048 99 99 VAL CA C 60.101 0.300 1 1049 99 99 VAL CB C 36.323 0.300 1 1050 99 99 VAL CG1 C 20.842 0.300 2 1051 99 99 VAL CG2 C 22.297 0.300 2 1052 99 99 VAL N N 118.833 0.300 1 1053 100 100 LEU H H 9.111 0.030 1 1054 100 100 LEU HA H 5.280 0.030 1 1055 100 100 LEU HB2 H 1.907 0.030 2 1056 100 100 LEU HB3 H 1.433 0.030 2 1057 100 100 LEU HG H 1.833 0.030 1 1058 100 100 LEU HD1 H 0.884 0.030 1 1059 100 100 LEU HD2 H 1.123 0.030 1 1060 100 100 LEU C C 174.894 0.300 1 1061 100 100 LEU CA C 52.921 0.300 1 1062 100 100 LEU CB C 44.952 0.300 1 1063 100 100 LEU CG C 26.572 0.300 1 1064 100 100 LEU CD1 C 26.664 0.300 2 1065 100 100 LEU CD2 C 25.464 0.300 2 1066 100 100 LEU N N 124.220 0.300 1 1067 101 101 LYS H H 8.894 0.030 1 1068 101 101 LYS HA H 5.253 0.030 1 1069 101 101 LYS HB2 H 1.593 0.030 2 1070 101 101 LYS HB3 H 2.019 0.030 2 1071 101 101 LYS HG2 H 1.393 0.030 1 1072 101 101 LYS HG3 H 1.393 0.030 1 1073 101 101 LYS HD2 H 1.643 0.030 2 1074 101 101 LYS HD3 H 1.663 0.030 2 1075 101 101 LYS HE2 H 2.983 0.030 2 1076 101 101 LYS HE3 H 2.918 0.030 2 1077 101 101 LYS C C 175.735 0.300 1 1078 101 101 LYS CA C 55.175 0.300 1 1079 101 101 LYS CB C 35.772 0.300 1 1080 101 101 LYS CG C 25.220 0.300 1 1081 101 101 LYS CD C 29.805 0.300 1 1082 101 101 LYS CE C 42.142 0.300 1 1083 101 101 LYS N N 124.902 0.300 1 1084 102 102 VAL H H 8.606 0.030 1 1085 102 102 VAL HA H 5.169 0.030 1 1086 102 102 VAL HB H 2.445 0.030 1 1087 102 102 VAL HG1 H 1.073 0.030 1 1088 102 102 VAL HG2 H 1.113 0.030 1 1089 102 102 VAL C C 177.621 0.300 1 1090 102 102 VAL CA C 60.491 0.300 1 1091 102 102 VAL CB C 33.919 0.300 1 1092 102 102 VAL CG1 C 22.500 0.300 2 1093 102 102 VAL CG2 C 21.578 0.300 2 1094 102 102 VAL N N 123.059 0.300 1 1095 103 103 GLU H H 8.946 0.030 1 1096 103 103 GLU HA H 4.041 0.030 1 1097 103 103 GLU HB2 H 2.195 0.030 2 1098 103 103 GLU HB3 H 2.138 0.030 2 1099 103 103 GLU HG2 H 2.349 0.030 1 1100 103 103 GLU HG3 H 2.349 0.030 1 1101 103 103 GLU C C 176.446 0.300 1 1102 103 103 GLU CA C 59.178 0.300 1 1103 103 103 GLU CB C 29.703 0.300 1 1104 103 103 GLU CG C 35.489 0.300 1 1105 103 103 GLU N N 124.017 0.300 1 1106 104 104 ASN H H 8.263 0.030 1 1107 104 104 ASN HA H 4.589 0.030 1 1108 104 104 ASN HB2 H 3.184 0.030 2 1109 104 104 ASN HB3 H 2.958 0.030 2 1110 104 104 ASN HD21 H 7.568 0.030 2 1111 104 104 ASN HD22 H 6.825 0.030 2 1112 104 104 ASN C C 176.047 0.300 1 1113 104 104 ASN CA C 53.766 0.300 1 1114 104 104 ASN CB C 37.482 0.300 1 1115 104 104 ASN N N 116.934 0.300 1 1116 104 104 ASN ND2 N 111.279 0.300 1 1117 105 105 GLY H H 8.377 0.030 1 1118 105 105 GLY HA2 H 4.281 0.030 2 1119 105 105 GLY HA3 H 3.746 0.030 2 1120 105 105 GLY C C 173.970 0.300 1 1121 105 105 GLY CA C 45.223 0.300 1 1122 105 105 GLY N N 108.357 0.300 1 1123 106 106 ALA H H 7.695 0.030 1 1124 106 106 ALA HA H 4.226 0.030 1 1125 106 106 ALA HB H 1.164 0.030 1 1126 106 106 ALA C C 175.471 0.300 1 1127 106 106 ALA CA C 52.650 0.300 1 1128 106 106 ALA CB C 19.441 0.300 1 1129 106 106 ALA N N 124.229 0.300 1 1130 107 107 GLU H H 7.893 0.030 1 1131 107 107 GLU HA H 5.146 0.030 1 1132 107 107 GLU HB2 H 1.723 0.030 2 1133 107 107 GLU HB3 H 1.807 0.030 2 1134 107 107 GLU HG2 H 1.901 0.030 2 1135 107 107 GLU HG3 H 2.305 0.030 2 1136 107 107 GLU C C 174.606 0.300 1 1137 107 107 GLU CA C 54.818 0.300 1 1138 107 107 GLU CB C 32.569 0.300 1 1139 107 107 GLU CG C 37.397 0.300 1 1140 107 107 GLU N N 118.077 0.300 1 1141 108 108 TYR H H 9.072 0.030 1 1142 108 108 TYR HA H 4.857 0.030 1 1143 108 108 TYR HB2 H 2.853 0.030 2 1144 108 108 TYR HB3 H 2.648 0.030 2 1145 108 108 TYR HD1 H 6.763 0.030 1 1146 108 108 TYR HD2 H 6.763 0.030 1 1147 108 108 TYR HE1 H 6.350 0.030 1 1148 108 108 TYR HE2 H 6.350 0.030 1 1149 108 108 TYR C C 174.041 0.300 1 1150 108 108 TYR CA C 56.967 0.300 1 1151 108 108 TYR CB C 41.004 0.300 1 1152 108 108 TYR CD1 C 132.350 0.300 1 1153 108 108 TYR CD2 C 132.350 0.300 1 1154 108 108 TYR CE1 C 117.734 0.300 1 1155 108 108 TYR CE2 C 117.734 0.300 1 1156 108 108 TYR N N 122.664 0.300 1 1157 109 109 ILE H H 9.063 0.030 1 1158 109 109 ILE HA H 4.571 0.030 1 1159 109 109 ILE HB H 1.590 0.030 1 1160 109 109 ILE HG12 H 1.452 0.030 2 1161 109 109 ILE HG13 H 0.973 0.030 2 1162 109 109 ILE HG2 H 0.951 0.030 1 1163 109 109 ILE HD1 H 0.703 0.030 1 1164 109 109 ILE C C 174.425 0.300 1 1165 109 109 ILE CA C 61.068 0.300 1 1166 109 109 ILE CB C 38.627 0.300 1 1167 109 109 ILE CG1 C 27.936 0.300 1 1168 109 109 ILE CG2 C 18.958 0.300 1 1169 109 109 ILE CD1 C 13.934 0.300 1 1170 109 109 ILE N N 123.519 0.300 1 1171 110 110 LEU H H 8.992 0.030 1 1172 110 110 LEU HA H 5.223 0.030 1 1173 110 110 LEU HB2 H 0.046 0.030 2 1174 110 110 LEU HB3 H 0.803 0.030 2 1175 110 110 LEU HG H 1.360 0.030 1 1176 110 110 LEU HD1 H 0.603 0.030 1 1177 110 110 LEU HD2 H 0.528 0.030 1 1178 110 110 LEU C C 174.298 0.300 1 1179 110 110 LEU CA C 54.171 0.300 1 1180 110 110 LEU CB C 43.564 0.300 1 1181 110 110 LEU CG C 29.475 0.300 1 1182 110 110 LEU CD1 C 25.460 0.300 2 1183 110 110 LEU CD2 C 26.738 0.300 2 1184 110 110 LEU N N 128.632 0.300 1 1185 111 111 GLU H H 8.963 0.030 1 1186 111 111 GLU HA H 5.267 0.030 1 1187 111 111 GLU HB2 H 1.397 0.030 2 1188 111 111 GLU HB3 H 1.514 0.030 2 1189 111 111 GLU HG2 H 2.022 0.030 2 1190 111 111 GLU HG3 H 1.818 0.030 2 1191 111 111 GLU C C 177.249 0.300 1 1192 111 111 GLU CA C 54.257 0.300 1 1193 111 111 GLU CB C 34.388 0.300 1 1194 111 111 GLU CG C 36.657 0.300 1 1195 111 111 GLU N N 120.525 0.300 1 1196 112 112 THR H H 9.045 0.030 1 1197 112 112 THR HA H 4.888 0.030 1 1198 112 112 THR HB H 4.726 0.030 1 1199 112 112 THR HG2 H 1.269 0.030 1 1200 112 112 THR C C 175.651 0.300 1 1201 112 112 THR CA C 60.442 0.300 1 1202 112 112 THR CB C 70.685 0.300 1 1203 112 112 THR CG2 C 22.749 0.300 1 1204 112 112 THR N N 118.681 0.300 1 1205 113 113 ILE H H 8.773 0.030 1 1206 113 113 ILE HA H 4.028 0.030 1 1207 113 113 ILE HB H 1.954 0.030 1 1208 113 113 ILE HG12 H 1.375 0.030 2 1209 113 113 ILE HG13 H 1.603 0.030 2 1210 113 113 ILE HG2 H 1.026 0.030 1 1211 113 113 ILE HD1 H 0.979 0.030 1 1212 113 113 ILE C C 175.987 0.300 1 1213 113 113 ILE CA C 62.988 0.300 1 1214 113 113 ILE CB C 38.533 0.300 1 1215 113 113 ILE CG1 C 28.230 0.300 1 1216 113 113 ILE CG2 C 17.904 0.300 1 1217 113 113 ILE CD1 C 13.451 0.300 1 1218 113 113 ILE N N 116.717 0.300 1 1219 114 114 ASP H H 7.262 0.030 1 1220 114 114 ASP HA H 4.713 0.030 1 1221 114 114 ASP HB2 H 2.873 0.030 2 1222 114 114 ASP HB3 H 3.182 0.030 2 1223 114 114 ASP C C 177.143 0.300 1 1224 114 114 ASP CA C 52.567 0.300 1 1225 114 114 ASP CB C 43.352 0.300 1 1226 114 114 ASP N N 114.428 0.300 1 1227 115 115 SER HA H 4.426 0.030 1 1228 115 115 SER HB2 H 4.084 0.030 2 1229 115 115 SER HB3 H 4.019 0.030 2 1230 115 115 SER C C 176.350 0.300 1 1231 115 115 SER CA C 60.781 0.300 1 1232 115 115 SER CB C 63.388 0.300 1 1233 116 116 LEU H H 7.809 0.030 1 1234 116 116 LEU HA H 4.253 0.030 1 1235 116 116 LEU HB2 H 1.923 0.030 2 1236 116 116 LEU HB3 H 1.733 0.030 2 1237 116 116 LEU HG H 1.701 0.030 1 1238 116 116 LEU HD1 H 0.937 0.030 1 1239 116 116 LEU HD2 H 0.981 0.030 1 1240 116 116 LEU C C 181.032 0.300 1 1241 116 116 LEU CA C 58.481 0.300 1 1242 116 116 LEU CB C 41.083 0.300 1 1243 116 116 LEU CG C 27.471 0.300 1 1244 116 116 LEU CD1 C 24.023 0.300 2 1245 116 116 LEU CD2 C 24.690 0.300 2 1246 116 116 LEU N N 125.188 0.300 1 1247 117 117 GLN H H 9.113 0.030 1 1248 117 117 GLN HA H 4.173 0.030 1 1249 117 117 GLN HB2 H 2.191 0.030 2 1250 117 117 GLN HB3 H 2.479 0.030 2 1251 117 117 GLN HG2 H 2.711 0.030 2 1252 117 117 GLN HG3 H 2.911 0.030 2 1253 117 117 GLN HE21 H 6.993 0.030 2 1254 117 117 GLN HE22 H 7.984 0.030 2 1255 117 117 GLN C C 178.341 0.300 1 1256 117 117 GLN CA C 59.021 0.300 1 1257 117 117 GLN CB C 29.162 0.300 1 1258 117 117 GLN CG C 34.928 0.300 1 1259 117 117 GLN N N 119.217 0.300 1 1260 117 117 GLN NE2 N 114.210 0.300 1 1261 118 118 LYS H H 7.414 0.030 1 1262 118 118 LYS HA H 3.938 0.030 1 1263 118 118 LYS HB2 H 2.203 0.030 2 1264 118 118 LYS HB3 H 2.103 0.030 2 1265 118 118 LYS HG2 H 0.953 0.030 2 1266 118 118 LYS HG3 H 1.364 0.030 2 1267 118 118 LYS HD2 H 1.543 0.030 2 1268 118 118 LYS HE2 H 2.883 0.030 2 1269 118 118 LYS HE3 H 2.623 0.030 2 1270 118 118 LYS C C 177.008 0.300 1 1271 118 118 LYS CA C 60.860 0.300 1 1272 118 118 LYS CB C 30.302 0.300 1 1273 118 118 LYS CG C 24.234 0.300 1 1274 118 118 LYS CD C 29.282 0.300 1 1275 118 118 LYS CE C 41.826 0.300 1 1276 118 118 LYS N N 121.438 0.300 1 1277 119 119 HIS H H 8.170 0.030 1 1278 119 119 HIS HA H 4.089 0.030 1 1279 119 119 HIS HB2 H 3.187 0.030 1 1280 119 119 HIS HB3 H 3.187 0.030 1 1281 119 119 HIS HD2 H 7.100 0.030 1 1282 119 119 HIS HE1 H 7.821 0.030 1 1283 119 119 HIS C C 178.582 0.300 1 1284 119 119 HIS CA C 60.253 0.300 1 1285 119 119 HIS CB C 30.220 0.300 1 1286 119 119 HIS CD2 C 120.858 0.300 1 1287 119 119 HIS CE1 C 138.490 0.300 1 1288 119 119 HIS N N 116.855 0.300 1 1289 120 120 SER H H 8.183 0.030 1 1290 120 120 SER HA H 4.163 0.030 1 1291 120 120 SER HB2 H 3.873 0.030 2 1292 120 120 SER HB3 H 3.729 0.030 2 1293 120 120 SER C C 176.374 0.300 1 1294 120 120 SER CA C 61.796 0.300 1 1295 120 120 SER CB C 62.542 0.300 1 1296 120 120 SER N N 115.134 0.300 1 1297 121 121 TRP H H 8.183 0.030 1 1298 121 121 TRP HA H 3.932 0.030 1 1299 121 121 TRP HB2 H 3.029 0.030 2 1300 121 121 TRP HB3 H 2.743 0.030 2 1301 121 121 TRP HD1 H 7.294 0.030 1 1302 121 121 TRP HE1 H 10.382 0.030 1 1303 121 121 TRP HE3 H 7.387 0.030 1 1304 121 121 TRP HZ2 H 6.943 0.030 1 1305 121 121 TRP HZ3 H 6.668 0.030 1 1306 121 121 TRP HH2 H 6.780 0.030 1 1307 121 121 TRP C C 178.521 0.300 1 1308 121 121 TRP CA C 62.082 0.300 1 1309 121 121 TRP CB C 30.132 0.300 1 1310 121 121 TRP CD1 C 126.745 0.300 1 1311 121 121 TRP CE3 C 119.436 0.300 1 1312 121 121 TRP CZ2 C 114.034 0.300 1 1313 121 121 TRP CZ3 C 121.003 0.300 1 1314 121 121 TRP CH2 C 124.329 0.300 1 1315 121 121 TRP N N 121.817 0.300 1 1316 121 121 TRP NE1 N 128.454 0.300 1 1317 122 122 VAL H H 7.914 0.030 1 1318 122 122 VAL HA H 3.042 0.030 1 1319 122 122 VAL HB H 1.844 0.030 1 1320 122 122 VAL HG1 H 0.717 0.030 1 1321 122 122 VAL HG2 H 0.336 0.030 1 1322 122 122 VAL C C 177.273 0.300 1 1323 122 122 VAL CA C 67.350 0.300 1 1324 122 122 VAL CB C 31.411 0.300 1 1325 122 122 VAL CG1 C 21.016 0.300 2 1326 122 122 VAL CG2 C 22.801 0.300 2 1327 122 122 VAL N N 117.120 0.300 1 1328 123 123 ALA H H 7.862 0.030 1 1329 123 123 ALA HA H 4.068 0.030 1 1330 123 123 ALA HB H 1.383 0.030 1 1331 123 123 ALA C C 181.429 0.300 1 1332 123 123 ALA CA C 55.002 0.300 1 1333 123 123 ALA CB C 17.952 0.300 1 1334 123 123 ALA N N 119.722 0.300 1 1335 124 124 ASP H H 7.914 0.030 1 1336 124 124 ASP HA H 4.399 0.030 1 1337 124 124 ASP HB2 H 2.115 0.030 2 1338 124 124 ASP HB3 H 2.492 0.030 2 1339 124 124 ASP C C 179.119 0.300 1 1340 124 124 ASP CA C 56.959 0.300 1 1341 124 124 ASP CB C 40.011 0.300 1 1342 124 124 ASP N N 119.606 0.300 1 1343 125 125 ILE H H 8.480 0.030 1 1344 125 125 ILE HA H 3.463 0.030 1 1345 125 125 ILE HB H 1.835 0.030 1 1346 125 125 ILE HG12 H 2.265 0.030 2 1347 125 125 ILE HG13 H 0.947 0.030 2 1348 125 125 ILE HG2 H 0.865 0.030 1 1349 125 125 ILE HD1 H 1.031 0.030 1 1350 125 125 ILE C C 177.898 0.300 1 1351 125 125 ILE CA C 66.507 0.300 1 1352 125 125 ILE CB C 38.256 0.300 1 1353 125 125 ILE CG1 C 30.505 0.300 1 1354 125 125 ILE CG2 C 17.628 0.300 1 1355 125 125 ILE CD1 C 14.647 0.300 1 1356 125 125 ILE N N 119.640 0.300 1 1357 126 126 GLN H H 8.770 0.030 1 1358 126 126 GLN HA H 3.890 0.030 1 1359 126 126 GLN HB2 H 2.184 0.030 2 1360 126 126 GLN HB3 H 2.016 0.030 2 1361 126 126 GLN HG2 H 2.319 0.030 2 1362 126 126 GLN HG3 H 2.484 0.030 2 1363 126 126 GLN HE21 H 6.766 0.030 2 1364 126 126 GLN HE22 H 7.453 0.030 2 1365 126 126 GLN C C 178.594 0.300 1 1366 126 126 GLN CA C 58.925 0.300 1 1367 126 126 GLN CB C 28.655 0.300 1 1368 126 126 GLN CG C 34.189 0.300 1 1369 126 126 GLN N N 117.943 0.300 1 1370 126 126 GLN NE2 N 112.408 0.300 1 1371 127 127 GLY H H 8.092 0.030 1 1372 127 127 GLY HA2 H 3.962 0.030 2 1373 127 127 GLY HA3 H 3.915 0.030 2 1374 127 127 GLY C C 176.035 0.300 1 1375 127 127 GLY CA C 46.439 0.300 1 1376 127 127 GLY N N 105.363 0.300 1 1377 128 128 CYS H H 7.530 0.030 1 1378 128 128 CYS HA H 4.035 0.030 1 1379 128 128 CYS HB2 H 2.706 0.030 2 1380 128 128 CYS HB3 H 2.153 0.030 2 1381 128 128 CYS C C 176.131 0.300 1 1382 128 128 CYS CA C 61.844 0.300 1 1383 128 128 CYS CB C 28.115 0.300 1 1384 128 128 CYS N N 118.314 0.300 1 1385 129 129 VAL H H 7.830 0.030 1 1386 129 129 VAL HA H 3.773 0.030 1 1387 129 129 VAL HB H 2.234 0.030 1 1388 129 129 VAL HG1 H 1.000 0.030 1 1389 129 129 VAL HG2 H 0.975 0.030 1 1390 129 129 VAL C C 177.189 0.300 1 1391 129 129 VAL CA C 64.796 0.300 1 1392 129 129 VAL CB C 32.251 0.300 1 1393 129 129 VAL CG1 C 21.580 0.300 2 1394 129 129 VAL CG2 C 21.201 0.300 2 1395 129 129 VAL N N 121.509 0.300 1 1396 130 130 ASP H H 8.329 0.030 1 1397 130 130 ASP HA H 4.645 0.030 1 1398 130 130 ASP HB2 H 2.801 0.030 2 1399 130 130 ASP HB3 H 2.673 0.030 2 1400 130 130 ASP C C 176.565 0.300 1 1401 130 130 ASP CA C 55.134 0.300 1 1402 130 130 ASP CB C 41.235 0.300 1 1403 130 130 ASP N N 121.170 0.300 1 1404 131 131 SER H H 7.943 0.030 1 1405 131 131 SER HA H 4.503 0.030 1 1406 131 131 SER HB2 H 4.066 0.030 2 1407 131 131 SER HB3 H 3.991 0.030 2 1408 131 131 SER C C 174.966 0.300 1 1409 131 131 SER CA C 58.809 0.300 1 1410 131 131 SER CB C 64.000 0.300 1 1411 131 131 SER N N 115.527 0.300 1 1412 132 132 GLY H H 8.171 0.030 1 1413 132 132 GLY HA2 H 4.199 0.030 2 1414 132 132 GLY HA3 H 4.145 0.030 2 1415 132 132 GLY C C 172.016 0.300 1 1416 132 132 GLY CA C 45.034 0.300 1 1417 132 132 GLY N N 110.475 0.300 1 1418 133 133 PRO HA H 4.529 0.030 1 1419 133 133 PRO HB2 H 2.321 0.030 1 1420 133 133 PRO HB3 H 2.321 0.030 1 1421 133 133 PRO HG2 H 2.033 0.030 1 1422 133 133 PRO HG3 H 2.033 0.030 1 1423 133 133 PRO HD2 H 3.685 0.030 1 1424 133 133 PRO HD3 H 3.685 0.030 1 1425 133 133 PRO CA C 63.377 0.300 1 1426 133 133 PRO CB C 32.259 0.300 1 1427 133 133 PRO CG C 32.242 0.300 1 1428 133 133 PRO CD C 49.889 0.300 1 stop_ save_