data_11320 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; solution structure of the sh3 domain-binding glutamic acid-rich-like protein 2 ; _BMRB_accession_number 11320 _BMRB_flat_file_name bmr11320.str _Entry_type original _Submission_date 2010-08-10 _Accession_date 2010-08-10 _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 Miyamoto K. . . 2 Koshiba S. . . 3 Inoue M. . . 4 Kigawa T. . . 5 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" 665 "13C chemical shifts" 484 "15N chemical shifts" 110 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2011-08-19 original author . stop_ _Original_release_date 2011-08-19 save_ ############################# # Citation for this entry # ############################# save_citation_1 _Saveframe_category entry_citation _Citation_full . _Citation_title 'solution structure of the sh3 domain-binding glutamic acid-rich-like protein 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 Miyamoto K. . . 2 Koshiba S. . . 3 Inoue M. . . 4 Kigawa T. . . 5 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 'sh3 domain-binding glutamic acid-rich-like protein 2' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label SH3BGRL2 $entity_1 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_entity_1 _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common SH3BGRL2 _Molecular_mass . _Mol_thiol_state 'all free' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 111 _Mol_residue_sequence ; GSSGSSGMVIRVFIASSSGF VAIKKKQQDVVRFLEANKIE FEEVDITMSEEQRQWMYKNV PPEKKPTQGNPLPPQIFNGD RYCGDYDSFFESKESNTVFS FLGLKSGPSSG ; loop_ _Residue_seq_code _Residue_label 1 GLY 2 SER 3 SER 4 GLY 5 SER 6 SER 7 GLY 8 MET 9 VAL 10 ILE 11 ARG 12 VAL 13 PHE 14 ILE 15 ALA 16 SER 17 SER 18 SER 19 GLY 20 PHE 21 VAL 22 ALA 23 ILE 24 LYS 25 LYS 26 LYS 27 GLN 28 GLN 29 ASP 30 VAL 31 VAL 32 ARG 33 PHE 34 LEU 35 GLU 36 ALA 37 ASN 38 LYS 39 ILE 40 GLU 41 PHE 42 GLU 43 GLU 44 VAL 45 ASP 46 ILE 47 THR 48 MET 49 SER 50 GLU 51 GLU 52 GLN 53 ARG 54 GLN 55 TRP 56 MET 57 TYR 58 LYS 59 ASN 60 VAL 61 PRO 62 PRO 63 GLU 64 LYS 65 LYS 66 PRO 67 THR 68 GLN 69 GLY 70 ASN 71 PRO 72 LEU 73 PRO 74 PRO 75 GLN 76 ILE 77 PHE 78 ASN 79 GLY 80 ASP 81 ARG 82 TYR 83 CYS 84 GLY 85 ASP 86 TYR 87 ASP 88 SER 89 PHE 90 PHE 91 GLU 92 SER 93 LYS 94 GLU 95 SER 96 ASN 97 THR 98 VAL 99 PHE 100 SER 101 PHE 102 LEU 103 GLY 104 LEU 105 LYS 106 SER 107 GLY 108 PRO 109 SER 110 SER 111 GLY stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2015-09-30 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 2CT6 "Solution Structure Of The Sh3 Domain-Binding Glutamic Acid- Rich-Like Protein 2" 100.00 111 100.00 100.00 1.29e-73 DBJ BAG34700 "unnamed protein product [Homo sapiens]" 88.29 107 100.00 100.00 1.01e-64 EMBL CAC35771 "SH3BGRL2-like protein [Homo sapiens]" 88.29 107 100.00 100.00 1.01e-64 EMBL CAH89748 "hypothetical protein [Pongo abelii]" 88.29 107 98.98 98.98 2.08e-63 GB AAH40489 "SH3 domain binding glutamic acid-rich protein like 2 [Homo sapiens]" 88.29 107 98.98 98.98 5.04e-64 GB AAH52987 "SH3 domain binding glutamic acid-rich protein like 2 [Homo sapiens]" 88.29 107 100.00 100.00 1.01e-64 GB AAH60799 "SH3 domain binding glutamic acid-rich protein like 2 [Homo sapiens]" 88.29 107 100.00 100.00 1.01e-64 GB AAH70059 "SH3 domain binding glutamic acid-rich protein like 2 [Homo sapiens]" 88.29 107 98.98 100.00 1.89e-64 GB AAI09044 "SH3 domain binding glutamic acid-rich protein like 2 [Homo sapiens]" 88.29 107 100.00 100.00 1.01e-64 REF NP_113657 "SH3 domain-binding glutamic acid-rich-like protein 2 [Homo sapiens]" 88.29 107 100.00 100.00 1.01e-64 REF XP_001146260 "PREDICTED: SH3 domain-binding glutamic acid-rich-like protein 2 [Pan troglodytes]" 88.29 107 100.00 100.00 1.01e-64 REF XP_003258313 "PREDICTED: SH3 domain-binding glutamic acid-rich-like protein 2 isoform X2 [Nomascus leucogenys]" 88.29 107 100.00 100.00 1.01e-64 REF XP_003897882 "PREDICTED: SH3 domain-binding glutamic acid-rich-like protein 2 isoform X2 [Papio anubis]" 88.29 107 100.00 100.00 1.01e-64 REF XP_003923315 "PREDICTED: SH3 domain-binding glutamic acid-rich-like protein 2 [Saimiri boliviensis boliviensis]" 88.29 107 98.98 98.98 5.26e-64 SP Q5REQ9 "RecName: Full=SH3 domain-binding glutamic acid-rich-like protein 2" 88.29 107 98.98 98.98 2.08e-63 SP Q9UJC5 "RecName: Full=SH3 domain-binding glutamic acid-rich-like protein 2; AltName: Full=Fovea-associated SH3 domain-binding protein" 88.29 107 100.00 100.00 1.01e-64 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 human 9606 Eukaryota Metazoa Homo sapiens stop_ save_ ######################### # Experimental source # ######################### save_experimental_source _Saveframe_category experimental_source loop_ _Mol_label _Production_method _Host_organism_name_common _Genus _Species _Strain _Vector_type _Vector_name $entity_1 'cell free synthesis' 'E. coli' Escherichia coli . plasmid P040614-04 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Saveframe_category sample _Sample_type solution _Details ; 0.95mM SH3BGRL2 {U-13C,15N;} 20mM {d-Tris-HCl;} 100mM {NaCl;} 1mM {d-DTT;} 0.02% {NaN3;} 90% H2O, 10% D2O ; loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $entity_1 0.95 mM '[U-13C; U-15N]' d-Tris-HCl 20 mM 'natural abundance' NaCl 100 mM 'natural abundance' d-DTT 1 mM 'natural abundance' NaN3 0.02 % 'natural abundance' H2O 90 % . D2O 10 % . stop_ save_ ############################ # Computer software used # ############################ save_XWINNMR _Saveframe_category software _Name xwinnmr _Version 3.5 loop_ _Vendor _Address _Electronic_address Bruker . . stop_ loop_ _Task collection stop_ _Details . save_ save_NMRPipe _Saveframe_category software _Name NMRPipe _Version 20031121 loop_ _Vendor _Address _Electronic_address 'Delaglio, F.' . . stop_ loop_ _Task processing stop_ _Details . save_ save_NMRView _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_Kujira _Saveframe_category software _Name Kujira _Version 0.925 loop_ _Vendor _Address _Electronic_address 'Kobayashi, N.' . . stop_ loop_ _Task 'data analysis' stop_ _Details . save_ save_CYANA _Saveframe_category software _Name CYANA _Version 1.0.7 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 900 _Details . save_ ############################# # NMR applied experiments # ############################# save_3D_15N-separated_NOESY_1 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 15N-separated NOESY' _Sample_label $sample_1 save_ save_3D_13C-separated_NOESY_2 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 13C-separated NOESY' _Sample_label $sample_1 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 7.0 0.05 pH pressure 1 0.001 atm temperature 296 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_ _Software_label $XWINNMR $NMRPipe $NMRView $Kujira $CYANA stop_ loop_ _Experiment_label '3D 15N-separated NOESY' '3D 13C-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 SH3BGRL2 _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 6 6 SER HA H 4.452 0.030 1 2 6 6 SER HB2 H 3.908 0.030 2 3 6 6 SER HB3 H 3.850 0.030 2 4 6 6 SER C C 175.037 0.300 1 5 6 6 SER CA C 58.855 0.300 1 6 6 6 SER CB C 63.933 0.300 1 7 7 7 GLY H H 8.403 0.030 1 8 7 7 GLY HA2 H 3.962 0.030 1 9 7 7 GLY HA3 H 3.962 0.030 1 10 7 7 GLY C C 173.883 0.300 1 11 7 7 GLY CA C 45.360 0.300 1 12 7 7 GLY N N 110.753 0.300 1 13 8 8 MET H H 8.172 0.030 1 14 8 8 MET HA H 4.529 0.030 1 15 8 8 MET HB2 H 1.917 0.030 2 16 8 8 MET HB3 H 2.006 0.030 2 17 8 8 MET HE H 2.157 0.030 1 18 8 8 MET HG2 H 2.614 0.030 2 19 8 8 MET HG3 H 2.500 0.030 2 20 8 8 MET C C 175.350 0.300 1 21 8 8 MET CA C 55.753 0.300 1 22 8 8 MET CB C 33.556 0.300 1 23 8 8 MET CE C 17.697 0.300 1 24 8 8 MET CG C 32.437 0.300 1 25 8 8 MET N N 120.173 0.300 1 26 9 9 VAL H H 8.256 0.030 1 27 9 9 VAL HA H 4.071 0.030 1 28 9 9 VAL HB H 1.878 0.030 1 29 9 9 VAL HG1 H 0.744 0.030 1 30 9 9 VAL HG2 H 0.726 0.030 1 31 9 9 VAL C C 174.808 0.300 1 32 9 9 VAL CA C 61.611 0.300 1 33 9 9 VAL CB C 34.510 0.300 1 34 9 9 VAL CG1 C 20.881 0.300 2 35 9 9 VAL CG2 C 20.674 0.300 2 36 9 9 VAL N N 122.547 0.300 1 37 10 10 ILE H H 8.148 0.030 1 38 10 10 ILE HA H 4.756 0.030 1 39 10 10 ILE HB H 2.271 0.030 1 40 10 10 ILE HD1 H 0.822 0.030 1 41 10 10 ILE HG12 H 1.279 0.030 2 42 10 10 ILE HG13 H 1.947 0.030 2 43 10 10 ILE HG2 H 0.891 0.030 1 44 10 10 ILE C C 175.010 0.300 1 45 10 10 ILE CA C 58.182 0.300 1 46 10 10 ILE CB C 35.507 0.300 1 47 10 10 ILE CD1 C 10.165 0.300 1 48 10 10 ILE CG1 C 27.740 0.300 1 49 10 10 ILE CG2 C 18.520 0.300 1 50 10 10 ILE N N 126.674 0.300 1 51 11 11 ARG H H 9.557 0.030 1 52 11 11 ARG HA H 5.229 0.030 1 53 11 11 ARG HB2 H 1.467 0.030 2 54 11 11 ARG HB3 H 1.979 0.030 2 55 11 11 ARG HD2 H 3.087 0.030 2 56 11 11 ARG HD3 H 2.998 0.030 2 57 11 11 ARG HE H 6.862 0.030 1 58 11 11 ARG HG2 H 1.381 0.030 2 59 11 11 ARG HG3 H 1.752 0.030 2 60 11 11 ARG C C 174.801 0.300 1 61 11 11 ARG CA C 55.297 0.300 1 62 11 11 ARG CB C 32.780 0.300 1 63 11 11 ARG CD C 44.115 0.300 1 64 11 11 ARG CG C 27.871 0.300 1 65 11 11 ARG N N 128.107 0.300 1 66 11 11 ARG NE N 84.196 0.300 1 67 12 12 VAL H H 8.977 0.030 1 68 12 12 VAL HA H 4.729 0.030 1 69 12 12 VAL HB H 2.032 0.030 1 70 12 12 VAL HG1 H 0.770 0.030 1 71 12 12 VAL HG2 H 0.748 0.030 1 72 12 12 VAL C C 174.732 0.300 1 73 12 12 VAL CA C 60.924 0.300 1 74 12 12 VAL CB C 32.742 0.300 1 75 12 12 VAL CG1 C 21.425 0.300 2 76 12 12 VAL CG2 C 21.840 0.300 2 77 12 12 VAL N N 124.086 0.300 1 78 13 13 PHE H H 9.761 0.030 1 79 13 13 PHE HA H 5.278 0.030 1 80 13 13 PHE HB2 H 3.537 0.030 2 81 13 13 PHE HB3 H 2.985 0.030 2 82 13 13 PHE HD1 H 7.362 0.030 1 83 13 13 PHE HD2 H 7.362 0.030 1 84 13 13 PHE HE1 H 7.133 0.030 1 85 13 13 PHE HE2 H 7.133 0.030 1 86 13 13 PHE HZ H 6.732 0.030 1 87 13 13 PHE C C 175.539 0.300 1 88 13 13 PHE CA C 58.094 0.300 1 89 13 13 PHE CB C 39.817 0.300 1 90 13 13 PHE CD1 C 131.296 0.300 1 91 13 13 PHE CD2 C 131.296 0.300 1 92 13 13 PHE CE1 C 131.439 0.300 1 93 13 13 PHE CE2 C 131.439 0.300 1 94 13 13 PHE CZ C 131.228 0.300 1 95 13 13 PHE N N 130.396 0.300 1 96 14 14 ILE H H 8.987 0.030 1 97 14 14 ILE HA H 4.844 0.030 1 98 14 14 ILE HB H 1.607 0.030 1 99 14 14 ILE HD1 H 0.726 0.030 1 100 14 14 ILE HG12 H 0.829 0.030 2 101 14 14 ILE HG13 H 1.172 0.030 2 102 14 14 ILE HG2 H 0.832 0.030 1 103 14 14 ILE C C 173.677 0.300 1 104 14 14 ILE CA C 58.986 0.300 1 105 14 14 ILE CB C 43.505 0.300 1 106 14 14 ILE CD1 C 14.993 0.300 1 107 14 14 ILE CG1 C 25.758 0.300 1 108 14 14 ILE CG2 C 19.634 0.300 1 109 14 14 ILE N N 116.561 0.300 1 110 15 15 ALA H H 9.435 0.030 1 111 15 15 ALA HA H 5.046 0.030 1 112 15 15 ALA HB H 1.222 0.030 1 113 15 15 ALA C C 177.911 0.300 1 114 15 15 ALA CA C 51.024 0.300 1 115 15 15 ALA CB C 22.064 0.300 1 116 15 15 ALA N N 120.857 0.300 1 117 16 16 SER H H 8.467 0.030 1 118 16 16 SER HA H 4.319 0.030 1 119 16 16 SER HB2 H 3.877 0.030 2 120 16 16 SER HB3 H 3.665 0.030 2 121 16 16 SER C C 175.856 0.300 1 122 16 16 SER CA C 59.272 0.300 1 123 16 16 SER CB C 62.753 0.300 1 124 16 16 SER N N 119.981 0.300 1 125 17 17 SER H H 7.657 0.030 1 126 17 17 SER HA H 4.545 0.030 1 127 17 17 SER HB2 H 3.898 0.030 1 128 17 17 SER HB3 H 3.898 0.030 1 129 17 17 SER C C 174.723 0.300 1 130 17 17 SER CA C 57.627 0.300 1 131 17 17 SER CB C 63.511 0.300 1 132 17 17 SER N N 115.128 0.300 1 133 18 18 SER H H 7.288 0.030 1 134 18 18 SER HA H 4.233 0.030 1 135 18 18 SER HB2 H 4.003 0.030 2 136 18 18 SER HB3 H 3.773 0.030 2 137 18 18 SER CA C 59.903 0.300 1 138 18 18 SER CB C 63.864 0.300 1 139 18 18 SER N N 124.917 0.300 1 140 19 19 GLY HA2 H 3.904 0.030 2 141 19 19 GLY HA3 H 3.717 0.030 2 142 19 19 GLY C C 174.075 0.300 1 143 19 19 GLY CA C 45.327 0.300 1 144 20 20 PHE H H 7.947 0.030 1 145 20 20 PHE HA H 4.818 0.030 1 146 20 20 PHE HB2 H 2.894 0.030 2 147 20 20 PHE HB3 H 3.284 0.030 2 148 20 20 PHE HD1 H 7.281 0.030 1 149 20 20 PHE HD2 H 7.281 0.030 1 150 20 20 PHE HE1 H 7.414 0.030 1 151 20 20 PHE HE2 H 7.414 0.030 1 152 20 20 PHE HZ H 7.345 0.030 1 153 20 20 PHE C C 176.209 0.300 1 154 20 20 PHE CA C 56.905 0.300 1 155 20 20 PHE CB C 39.009 0.300 1 156 20 20 PHE CD1 C 131.789 0.300 1 157 20 20 PHE CD2 C 131.789 0.300 1 158 20 20 PHE CE1 C 131.590 0.300 1 159 20 20 PHE CE2 C 131.590 0.300 1 160 20 20 PHE CZ C 130.049 0.300 1 161 20 20 PHE N N 119.643 0.300 1 162 21 21 VAL H H 8.376 0.030 1 163 21 21 VAL HA H 3.742 0.030 1 164 21 21 VAL HB H 2.143 0.030 1 165 21 21 VAL HG1 H 1.005 0.030 1 166 21 21 VAL HG2 H 1.070 0.030 1 167 21 21 VAL C C 177.469 0.300 1 168 21 21 VAL CA C 65.942 0.300 1 169 21 21 VAL CB C 31.792 0.300 1 170 21 21 VAL CG1 C 20.804 0.300 2 171 21 21 VAL CG2 C 21.568 0.300 2 172 21 21 VAL N N 124.504 0.300 1 173 22 22 ALA H H 8.726 0.030 1 174 22 22 ALA HA H 4.130 0.030 1 175 22 22 ALA HB H 1.396 0.030 1 176 22 22 ALA C C 180.183 0.300 1 177 22 22 ALA CA C 55.016 0.300 1 178 22 22 ALA CB C 18.805 0.300 1 179 22 22 ALA N N 121.352 0.300 1 180 23 23 ILE H H 7.158 0.030 1 181 23 23 ILE HA H 3.763 0.030 1 182 23 23 ILE HB H 2.193 0.030 1 183 23 23 ILE HD1 H 0.965 0.030 1 184 23 23 ILE HG12 H 1.355 0.030 2 185 23 23 ILE HG13 H 1.665 0.030 2 186 23 23 ILE HG2 H 0.917 0.030 1 187 23 23 ILE C C 177.600 0.300 1 188 23 23 ILE CA C 63.942 0.300 1 189 23 23 ILE CB C 37.855 0.300 1 190 23 23 ILE CD1 C 13.845 0.300 1 191 23 23 ILE CG1 C 28.887 0.300 1 192 23 23 ILE CG2 C 18.040 0.300 1 193 23 23 ILE N N 115.030 0.300 1 194 24 24 LYS H H 7.656 0.030 1 195 24 24 LYS HA H 3.946 0.030 1 196 24 24 LYS HB2 H 1.927 0.030 1 197 24 24 LYS HB3 H 1.927 0.030 1 198 24 24 LYS HD2 H 1.705 0.030 1 199 24 24 LYS HD3 H 1.705 0.030 1 200 24 24 LYS HE2 H 2.970 0.030 1 201 24 24 LYS HE3 H 2.970 0.030 1 202 24 24 LYS HG2 H 1.607 0.030 2 203 24 24 LYS HG3 H 1.405 0.030 2 204 24 24 LYS C C 178.986 0.300 1 205 24 24 LYS CA C 60.124 0.300 1 206 24 24 LYS CB C 31.899 0.300 1 207 24 24 LYS CD C 29.158 0.300 1 208 24 24 LYS CE C 42.103 0.300 1 209 24 24 LYS CG C 25.118 0.300 1 210 24 24 LYS N N 120.201 0.300 1 211 25 25 LYS H H 8.091 0.030 1 212 25 25 LYS HA H 4.017 0.030 1 213 25 25 LYS HB2 H 1.826 0.030 1 214 25 25 LYS HB3 H 1.826 0.030 1 215 25 25 LYS HD2 H 1.641 0.030 1 216 25 25 LYS HD3 H 1.641 0.030 1 217 25 25 LYS HE2 H 2.965 0.030 1 218 25 25 LYS HE3 H 2.965 0.030 1 219 25 25 LYS HG2 H 1.513 0.030 2 220 25 25 LYS HG3 H 1.396 0.030 2 221 25 25 LYS C C 178.820 0.300 1 222 25 25 LYS CA C 59.494 0.300 1 223 25 25 LYS CB C 32.319 0.300 1 224 25 25 LYS CD C 29.128 0.300 1 225 25 25 LYS CE C 42.211 0.300 1 226 25 25 LYS CG C 25.154 0.300 1 227 25 25 LYS N N 118.386 0.300 1 228 26 26 LYS H H 7.438 0.030 1 229 26 26 LYS HA H 3.592 0.030 1 230 26 26 LYS HB2 H 1.674 0.030 2 231 26 26 LYS HB3 H 1.061 0.030 2 232 26 26 LYS HD2 H 1.185 0.030 2 233 26 26 LYS HD3 H 1.296 0.030 2 234 26 26 LYS HE2 H 2.598 0.030 1 235 26 26 LYS HE3 H 2.598 0.030 1 236 26 26 LYS HG2 H 1.216 0.030 2 237 26 26 LYS HG3 H -0.309 0.030 2 238 26 26 LYS C C 178.721 0.300 1 239 26 26 LYS CA C 59.886 0.300 1 240 26 26 LYS CB C 33.616 0.300 1 241 26 26 LYS CD C 30.199 0.300 1 242 26 26 LYS CE C 42.142 0.300 1 243 26 26 LYS CG C 25.726 0.300 1 244 26 26 LYS N N 119.254 0.300 1 245 27 27 GLN H H 8.197 0.030 1 246 27 27 GLN HA H 3.638 0.030 1 247 27 27 GLN HB2 H 2.087 0.030 2 248 27 27 GLN HB3 H 2.314 0.030 2 249 27 27 GLN HE21 H 6.888 0.030 2 250 27 27 GLN HE22 H 7.497 0.030 2 251 27 27 GLN HG2 H 2.192 0.030 2 252 27 27 GLN HG3 H 2.818 0.030 2 253 27 27 GLN C C 177.617 0.300 1 254 27 27 GLN CA C 59.859 0.300 1 255 27 27 GLN CB C 27.440 0.300 1 256 27 27 GLN CG C 36.488 0.300 1 257 27 27 GLN N N 115.877 0.300 1 258 27 27 GLN NE2 N 106.957 0.300 1 259 28 28 GLN H H 8.087 0.030 1 260 28 28 GLN HA H 4.039 0.030 1 261 28 28 GLN HB2 H 2.089 0.030 2 262 28 28 GLN HB3 H 2.261 0.030 2 263 28 28 GLN HE21 H 7.591 0.030 2 264 28 28 GLN HE22 H 6.958 0.030 2 265 28 28 GLN HG2 H 2.417 0.030 2 266 28 28 GLN HG3 H 2.583 0.030 2 267 28 28 GLN C C 177.966 0.300 1 268 28 28 GLN CA C 58.693 0.300 1 269 28 28 GLN CB C 28.709 0.300 1 270 28 28 GLN CG C 34.584 0.300 1 271 28 28 GLN N N 117.963 0.300 1 272 28 28 GLN NE2 N 111.847 0.300 1 273 29 29 ASP H H 8.302 0.030 1 274 29 29 ASP HA H 4.493 0.030 1 275 29 29 ASP HB2 H 3.004 0.030 2 276 29 29 ASP HB3 H 3.211 0.030 2 277 29 29 ASP C C 179.135 0.300 1 278 29 29 ASP CA C 57.691 0.300 1 279 29 29 ASP CB C 41.631 0.300 1 280 29 29 ASP N N 119.715 0.300 1 281 30 30 VAL H H 7.445 0.030 1 282 30 30 VAL HA H 3.104 0.030 1 283 30 30 VAL HB H 1.910 0.030 1 284 30 30 VAL HG1 H 0.356 0.030 1 285 30 30 VAL HG2 H 0.523 0.030 1 286 30 30 VAL C C 177.144 0.300 1 287 30 30 VAL CA C 66.101 0.300 1 288 30 30 VAL CB C 31.652 0.300 1 289 30 30 VAL CG1 C 21.122 0.300 2 290 30 30 VAL CG2 C 22.094 0.300 2 291 30 30 VAL N N 117.622 0.300 1 292 31 31 VAL H H 7.687 0.030 1 293 31 31 VAL HA H 3.066 0.030 1 294 31 31 VAL HB H 2.024 0.030 1 295 31 31 VAL HG1 H 0.985 0.030 1 296 31 31 VAL HG2 H 0.892 0.030 1 297 31 31 VAL C C 177.725 0.300 1 298 31 31 VAL CA C 67.175 0.300 1 299 31 31 VAL CB C 31.591 0.300 1 300 31 31 VAL CG1 C 21.589 0.300 2 301 31 31 VAL CG2 C 21.155 0.300 2 302 31 31 VAL N N 116.824 0.300 1 303 32 32 ARG H H 8.705 0.030 1 304 32 32 ARG HA H 4.167 0.030 1 305 32 32 ARG HB2 H 2.060 0.030 2 306 32 32 ARG HB3 H 1.927 0.030 2 307 32 32 ARG HD2 H 3.268 0.030 1 308 32 32 ARG HD3 H 3.268 0.030 1 309 32 32 ARG HG2 H 1.766 0.030 2 310 32 32 ARG HG3 H 1.850 0.030 2 311 32 32 ARG C C 179.573 0.300 1 312 32 32 ARG CA C 59.216 0.300 1 313 32 32 ARG CB C 30.017 0.300 1 314 32 32 ARG CD C 43.527 0.300 1 315 32 32 ARG CG C 27.837 0.300 1 316 32 32 ARG N N 118.604 0.300 1 317 33 33 PHE H H 7.617 0.030 1 318 33 33 PHE HA H 4.175 0.030 1 319 33 33 PHE HB2 H 3.421 0.030 2 320 33 33 PHE HB3 H 3.494 0.030 2 321 33 33 PHE HD1 H 7.125 0.030 1 322 33 33 PHE HD2 H 7.125 0.030 1 323 33 33 PHE HE1 H 7.113 0.030 1 324 33 33 PHE HE2 H 7.113 0.030 1 325 33 33 PHE HZ H 7.112 0.030 1 326 33 33 PHE C C 178.592 0.300 1 327 33 33 PHE CA C 62.241 0.300 1 328 33 33 PHE CB C 39.438 0.300 1 329 33 33 PHE CD1 C 131.482 0.300 1 330 33 33 PHE CD2 C 131.482 0.300 1 331 33 33 PHE CE1 C 130.806 0.300 1 332 33 33 PHE CE2 C 130.806 0.300 1 333 33 33 PHE CZ C 130.806 0.300 1 334 33 33 PHE N N 120.159 0.300 1 335 34 34 LEU H H 8.044 0.030 1 336 34 34 LEU HA H 3.799 0.030 1 337 34 34 LEU HB2 H 1.179 0.030 2 338 34 34 LEU HB3 H 1.265 0.030 2 339 34 34 LEU HD1 H 0.260 0.030 1 340 34 34 LEU HD2 H 0.765 0.030 1 341 34 34 LEU HG H 1.951 0.030 1 342 34 34 LEU C C 178.859 0.300 1 343 34 34 LEU CA C 58.641 0.300 1 344 34 34 LEU CB C 40.114 0.300 1 345 34 34 LEU CD1 C 26.805 0.300 2 346 34 34 LEU CD2 C 23.430 0.300 2 347 34 34 LEU CG C 25.787 0.300 1 348 34 34 LEU N N 121.238 0.300 1 349 35 35 GLU H H 8.495 0.030 1 350 35 35 GLU HA H 4.277 0.030 1 351 35 35 GLU HB2 H 2.245 0.030 2 352 35 35 GLU HB3 H 2.055 0.030 2 353 35 35 GLU HG2 H 2.339 0.030 2 354 35 35 GLU HG3 H 2.618 0.030 2 355 35 35 GLU C C 181.199 0.300 1 356 35 35 GLU CA C 59.395 0.300 1 357 35 35 GLU CB C 30.364 0.300 1 358 35 35 GLU CG C 36.931 0.300 1 359 35 35 GLU N N 118.105 0.300 1 360 36 36 ALA H H 8.365 0.030 1 361 36 36 ALA HA H 4.102 0.030 1 362 36 36 ALA HB H 1.399 0.030 1 363 36 36 ALA C C 178.901 0.300 1 364 36 36 ALA CA C 54.651 0.300 1 365 36 36 ALA CB C 18.234 0.300 1 366 36 36 ALA N N 121.969 0.300 1 367 37 37 ASN H H 7.282 0.030 1 368 37 37 ASN HA H 4.564 0.030 1 369 37 37 ASN HB2 H 2.749 0.030 2 370 37 37 ASN HB3 H 2.101 0.030 2 371 37 37 ASN HD21 H 6.299 0.030 2 372 37 37 ASN HD22 H 6.627 0.030 2 373 37 37 ASN C C 172.277 0.300 1 374 37 37 ASN CA C 53.741 0.300 1 375 37 37 ASN CB C 39.883 0.300 1 376 37 37 ASN N N 112.883 0.300 1 377 37 37 ASN ND2 N 116.375 0.300 1 378 38 38 LYS H H 7.872 0.030 1 379 38 38 LYS HA H 3.962 0.030 1 380 38 38 LYS HB2 H 2.027 0.030 2 381 38 38 LYS HB3 H 1.958 0.030 2 382 38 38 LYS HD2 H 1.669 0.030 2 383 38 38 LYS HD3 H 1.746 0.030 2 384 38 38 LYS HE2 H 3.013 0.030 1 385 38 38 LYS HE3 H 3.013 0.030 1 386 38 38 LYS HG2 H 1.367 0.030 1 387 38 38 LYS HG3 H 1.367 0.030 1 388 38 38 LYS C C 175.274 0.300 1 389 38 38 LYS CA C 57.144 0.300 1 390 38 38 LYS CB C 28.596 0.300 1 391 38 38 LYS CD C 28.915 0.300 1 392 38 38 LYS CE C 42.342 0.300 1 393 38 38 LYS CG C 25.046 0.300 1 394 38 38 LYS N N 116.192 0.300 1 395 39 39 ILE H H 8.105 0.030 1 396 39 39 ILE HA H 4.055 0.030 1 397 39 39 ILE HB H 1.625 0.030 1 398 39 39 ILE HD1 H 0.626 0.030 1 399 39 39 ILE HG12 H 1.506 0.030 2 400 39 39 ILE HG13 H 0.983 0.030 2 401 39 39 ILE HG2 H 0.919 0.030 1 402 39 39 ILE C C 176.091 0.300 1 403 39 39 ILE CA C 60.465 0.300 1 404 39 39 ILE CB C 39.252 0.300 1 405 39 39 ILE CD1 C 13.971 0.300 1 406 39 39 ILE CG1 C 27.674 0.300 1 407 39 39 ILE CG2 C 18.438 0.300 1 408 39 39 ILE N N 121.071 0.300 1 409 40 40 GLU H H 8.567 0.030 1 410 40 40 GLU HA H 4.279 0.030 1 411 40 40 GLU HB2 H 2.070 0.030 1 412 40 40 GLU HB3 H 2.070 0.030 1 413 40 40 GLU HG2 H 2.240 0.030 2 414 40 40 GLU HG3 H 2.334 0.030 2 415 40 40 GLU C C 176.040 0.300 1 416 40 40 GLU CA C 57.699 0.300 1 417 40 40 GLU CB C 29.648 0.300 1 418 40 40 GLU CG C 36.515 0.300 1 419 40 40 GLU N N 129.036 0.300 1 420 41 41 PHE H H 8.256 0.030 1 421 41 41 PHE HA H 5.953 0.030 1 422 41 41 PHE HB2 H 2.907 0.030 2 423 41 41 PHE HB3 H 2.823 0.030 2 424 41 41 PHE HD1 H 7.241 0.030 1 425 41 41 PHE HD2 H 7.241 0.030 1 426 41 41 PHE HE1 H 7.275 0.030 1 427 41 41 PHE HE2 H 7.275 0.030 1 428 41 41 PHE HZ H 7.385 0.030 1 429 41 41 PHE C C 173.149 0.300 1 430 41 41 PHE CA C 55.440 0.300 1 431 41 41 PHE CB C 43.853 0.300 1 432 41 41 PHE CD1 C 132.351 0.300 1 433 41 41 PHE CD2 C 132.351 0.300 1 434 41 41 PHE CE1 C 131.281 0.300 1 435 41 41 PHE CE2 C 131.281 0.300 1 436 41 41 PHE CZ C 130.806 0.300 1 437 41 41 PHE N N 121.856 0.300 1 438 42 42 GLU H H 9.136 0.030 1 439 42 42 GLU HA H 4.395 0.030 1 440 42 42 GLU HB2 H 1.760 0.030 2 441 42 42 GLU HB3 H 1.674 0.030 2 442 42 42 GLU HG2 H 1.938 0.030 1 443 42 42 GLU HG3 H 1.938 0.030 1 444 42 42 GLU C C 174.927 0.300 1 445 42 42 GLU CA C 54.245 0.300 1 446 42 42 GLU CB C 33.621 0.300 1 447 42 42 GLU CG C 35.388 0.300 1 448 42 42 GLU N N 119.972 0.300 1 449 43 43 GLU H H 8.763 0.030 1 450 43 43 GLU HA H 5.001 0.030 1 451 43 43 GLU HB2 H 1.938 0.030 2 452 43 43 GLU HB3 H 1.855 0.030 2 453 43 43 GLU HG2 H 2.033 0.030 2 454 43 43 GLU HG3 H 2.323 0.030 2 455 43 43 GLU C C 176.326 0.300 1 456 43 43 GLU CA C 55.361 0.300 1 457 43 43 GLU CB C 31.894 0.300 1 458 43 43 GLU CG C 38.119 0.300 1 459 43 43 GLU N N 123.911 0.300 1 460 44 44 VAL H H 8.802 0.030 1 461 44 44 VAL HA H 3.805 0.030 1 462 44 44 VAL HB H 0.728 0.030 1 463 44 44 VAL HG1 H 0.335 0.030 1 464 44 44 VAL HG2 H 0.143 0.030 1 465 44 44 VAL C C 174.098 0.300 1 466 44 44 VAL CA C 61.562 0.300 1 467 44 44 VAL CB C 32.501 0.300 1 468 44 44 VAL CG1 C 21.503 0.300 2 469 44 44 VAL CG2 C 19.485 0.300 2 470 44 44 VAL N N 126.695 0.300 1 471 45 45 ASP H H 8.451 0.030 1 472 45 45 ASP HA H 5.123 0.030 1 473 45 45 ASP HB2 H 2.432 0.030 2 474 45 45 ASP HB3 H 2.899 0.030 2 475 45 45 ASP C C 178.840 0.300 1 476 45 45 ASP CA C 52.538 0.300 1 477 45 45 ASP CB C 40.437 0.300 1 478 45 45 ASP N N 125.369 0.300 1 479 46 46 ILE H H 9.615 0.030 1 480 46 46 ILE HA H 4.242 0.030 1 481 46 46 ILE HB H 1.960 0.030 1 482 46 46 ILE HD1 H 0.932 0.030 1 483 46 46 ILE HG12 H 1.605 0.030 2 484 46 46 ILE HG13 H 1.395 0.030 2 485 46 46 ILE HG2 H 1.295 0.030 1 486 46 46 ILE C C 176.640 0.300 1 487 46 46 ILE CA C 63.650 0.300 1 488 46 46 ILE CB C 37.804 0.300 1 489 46 46 ILE CD1 C 14.571 0.300 1 490 46 46 ILE CG1 C 24.810 0.300 1 491 46 46 ILE CG2 C 19.559 0.300 1 492 46 46 ILE N N 122.563 0.300 1 493 47 47 THR H H 8.824 0.030 1 494 47 47 THR HA H 4.156 0.030 1 495 47 47 THR HB H 4.447 0.030 1 496 47 47 THR HG2 H 1.276 0.030 1 497 47 47 THR C C 175.640 0.300 1 498 47 47 THR CA C 64.988 0.300 1 499 47 47 THR CB C 68.574 0.300 1 500 47 47 THR CG2 C 23.071 0.300 1 501 47 47 THR N N 117.303 0.300 1 502 48 48 MET H H 7.065 0.030 1 503 48 48 MET HA H 4.606 0.030 1 504 48 48 MET HB2 H 1.886 0.030 2 505 48 48 MET HB3 H 2.216 0.030 2 506 48 48 MET HE H 2.058 0.030 1 507 48 48 MET HG2 H 2.382 0.030 2 508 48 48 MET HG3 H 2.633 0.030 2 509 48 48 MET C C 176.098 0.300 1 510 48 48 MET CA C 54.748 0.300 1 511 48 48 MET CB C 33.297 0.300 1 512 48 48 MET CE C 16.827 0.300 1 513 48 48 MET CG C 32.273 0.300 1 514 48 48 MET N N 116.152 0.300 1 515 49 49 SER H H 6.961 0.030 1 516 49 49 SER HA H 4.826 0.030 1 517 49 49 SER HB2 H 3.845 0.030 2 518 49 49 SER HB3 H 3.594 0.030 2 519 49 49 SER C C 173.785 0.300 1 520 49 49 SER CA C 55.791 0.300 1 521 49 49 SER CB C 63.093 0.300 1 522 49 49 SER N N 111.856 0.300 1 523 50 50 GLU H H 9.042 0.030 1 524 50 50 GLU HA H 4.173 0.030 1 525 50 50 GLU HB2 H 2.097 0.030 2 526 50 50 GLU HB3 H 1.978 0.030 2 527 50 50 GLU HG2 H 2.333 0.030 2 528 50 50 GLU HG3 H 2.361 0.030 2 529 50 50 GLU C C 178.471 0.300 1 530 50 50 GLU CA C 58.860 0.300 1 531 50 50 GLU CB C 29.271 0.300 1 532 50 50 GLU CG C 35.666 0.300 1 533 50 50 GLU N N 131.844 0.300 1 534 51 51 GLU H H 8.660 0.030 1 535 51 51 GLU HA H 4.035 0.030 1 536 51 51 GLU HB2 H 1.880 0.030 2 537 51 51 GLU HB3 H 2.013 0.030 2 538 51 51 GLU HG2 H 2.239 0.030 2 539 51 51 GLU HG3 H 2.294 0.030 2 540 51 51 GLU C C 180.261 0.300 1 541 51 51 GLU CA C 59.953 0.300 1 542 51 51 GLU CB C 29.454 0.300 1 543 51 51 GLU CG C 36.496 0.300 1 544 51 51 GLU N N 118.961 0.300 1 545 52 52 GLN H H 7.958 0.030 1 546 52 52 GLN HA H 4.543 0.030 1 547 52 52 GLN HB2 H 2.163 0.030 2 548 52 52 GLN HB3 H 1.801 0.030 2 549 52 52 GLN HE21 H 7.135 0.030 2 550 52 52 GLN HE22 H 6.252 0.030 2 551 52 52 GLN HG2 H 2.364 0.030 2 552 52 52 GLN HG3 H 2.241 0.030 2 553 52 52 GLN C C 178.128 0.300 1 554 52 52 GLN CA C 57.605 0.300 1 555 52 52 GLN CB C 27.983 0.300 1 556 52 52 GLN CG C 32.459 0.300 1 557 52 52 GLN N N 118.239 0.300 1 558 52 52 GLN NE2 N 110.191 0.300 1 559 53 53 ARG H H 8.163 0.030 1 560 53 53 ARG HA H 3.559 0.030 1 561 53 53 ARG HB2 H 2.237 0.030 2 562 53 53 ARG HB3 H 2.036 0.030 2 563 53 53 ARG HD2 H 3.331 0.030 1 564 53 53 ARG HD3 H 3.331 0.030 1 565 53 53 ARG HG2 H 1.142 0.030 2 566 53 53 ARG HG3 H 0.855 0.030 2 567 53 53 ARG C C 176.675 0.300 1 568 53 53 ARG CA C 60.793 0.300 1 569 53 53 ARG CB C 30.392 0.300 1 570 53 53 ARG CD C 43.663 0.300 1 571 53 53 ARG CG C 27.439 0.300 1 572 53 53 ARG N N 121.358 0.300 1 573 54 54 GLN H H 8.233 0.030 1 574 54 54 GLN HA H 3.772 0.030 1 575 54 54 GLN HB2 H 2.130 0.030 2 576 54 54 GLN HB3 H 2.060 0.030 2 577 54 54 GLN HE21 H 7.721 0.030 2 578 54 54 GLN HE22 H 6.990 0.030 2 579 54 54 GLN HG2 H 2.573 0.030 1 580 54 54 GLN HG3 H 2.573 0.030 1 581 54 54 GLN C C 178.924 0.300 1 582 54 54 GLN CA C 58.179 0.300 1 583 54 54 GLN CB C 27.649 0.300 1 584 54 54 GLN CG C 33.695 0.300 1 585 54 54 GLN N N 113.509 0.300 1 586 54 54 GLN NE2 N 112.637 0.300 1 587 55 55 TRP H H 8.214 0.030 1 588 55 55 TRP HA H 3.788 0.030 1 589 55 55 TRP HB2 H 3.434 0.030 2 590 55 55 TRP HB3 H 3.271 0.030 2 591 55 55 TRP HD1 H 7.227 0.030 1 592 55 55 TRP HE1 H 10.120 0.030 1 593 55 55 TRP HE3 H 6.647 0.030 1 594 55 55 TRP HH2 H 6.578 0.030 1 595 55 55 TRP HZ2 H 7.257 0.030 1 596 55 55 TRP HZ3 H 4.902 0.030 1 597 55 55 TRP C C 179.457 0.300 1 598 55 55 TRP CA C 63.047 0.300 1 599 55 55 TRP CB C 29.059 0.300 1 600 55 55 TRP CD1 C 127.385 0.300 1 601 55 55 TRP CE3 C 120.302 0.300 1 602 55 55 TRP CH2 C 124.216 0.300 1 603 55 55 TRP CZ2 C 114.435 0.300 1 604 55 55 TRP CZ3 C 122.166 0.300 1 605 55 55 TRP N N 121.082 0.300 1 606 55 55 TRP NE1 N 130.618 0.300 1 607 56 56 MET H H 8.554 0.030 1 608 56 56 MET HA H 3.193 0.030 1 609 56 56 MET HB2 H 1.982 0.030 2 610 56 56 MET HB3 H 2.251 0.030 2 611 56 56 MET HE H 2.067 0.030 1 612 56 56 MET HG2 H 2.106 0.030 2 613 56 56 MET HG3 H 2.045 0.030 2 614 56 56 MET C C 177.740 0.300 1 615 56 56 MET CA C 60.714 0.300 1 616 56 56 MET CB C 32.267 0.300 1 617 56 56 MET CE C 18.979 0.300 1 618 56 56 MET CG C 32.923 0.300 1 619 56 56 MET N N 120.647 0.300 1 620 57 57 TYR H H 8.134 0.030 1 621 57 57 TYR HA H 4.206 0.030 1 622 57 57 TYR HB2 H 3.178 0.030 1 623 57 57 TYR HB3 H 3.178 0.030 1 624 57 57 TYR HD1 H 6.951 0.030 1 625 57 57 TYR HD2 H 6.951 0.030 1 626 57 57 TYR HE1 H 6.801 0.030 1 627 57 57 TYR HE2 H 6.801 0.030 1 628 57 57 TYR C C 178.351 0.300 1 629 57 57 TYR CA C 57.816 0.300 1 630 57 57 TYR CB C 35.918 0.300 1 631 57 57 TYR CD1 C 130.620 0.300 1 632 57 57 TYR CD2 C 130.620 0.300 1 633 57 57 TYR CE1 C 118.186 0.300 1 634 57 57 TYR CE2 C 118.186 0.300 1 635 57 57 TYR N N 115.413 0.300 1 636 58 58 LYS H H 7.718 0.030 1 637 58 58 LYS HA H 4.053 0.030 1 638 58 58 LYS HB2 H 1.634 0.030 2 639 58 58 LYS HB3 H 1.594 0.030 2 640 58 58 LYS HD2 H 1.542 0.030 1 641 58 58 LYS HD3 H 1.542 0.030 1 642 58 58 LYS HE2 H 2.911 0.030 1 643 58 58 LYS HE3 H 2.911 0.030 1 644 58 58 LYS HG2 H 1.410 0.030 2 645 58 58 LYS HG3 H 1.317 0.030 2 646 58 58 LYS C C 177.477 0.300 1 647 58 58 LYS CA C 57.745 0.300 1 648 58 58 LYS CB C 32.923 0.300 1 649 58 58 LYS CD C 29.126 0.300 1 650 58 58 LYS CE C 42.169 0.300 1 651 58 58 LYS CG C 25.158 0.300 1 652 58 58 LYS N N 115.478 0.300 1 653 59 59 ASN H H 7.306 0.030 1 654 59 59 ASN HA H 4.290 0.030 1 655 59 59 ASN HB2 H 2.211 0.030 2 656 59 59 ASN HB3 H 1.204 0.030 2 657 59 59 ASN HD21 H 6.118 0.030 2 658 59 59 ASN HD22 H 6.056 0.030 2 659 59 59 ASN C C 174.024 0.300 1 660 59 59 ASN CA C 54.429 0.300 1 661 59 59 ASN CB C 39.950 0.300 1 662 59 59 ASN N N 115.500 0.300 1 663 59 59 ASN ND2 N 114.988 0.300 1 664 60 60 VAL H H 6.969 0.030 1 665 60 60 VAL HA H 3.540 0.030 1 666 60 60 VAL HB H 1.647 0.030 1 667 60 60 VAL HG1 H 0.636 0.030 1 668 60 60 VAL HG2 H 0.968 0.030 1 669 60 60 VAL C C 173.347 0.300 1 670 60 60 VAL CA C 60.527 0.300 1 671 60 60 VAL CB C 32.914 0.300 1 672 60 60 VAL CG1 C 20.598 0.300 2 673 60 60 VAL CG2 C 21.805 0.300 2 674 60 60 VAL N N 123.482 0.300 1 675 61 61 PRO HA H 4.474 0.030 1 676 61 61 PRO HB2 H 1.878 0.030 2 677 61 61 PRO HB3 H 2.263 0.030 2 678 61 61 PRO HD2 H 2.323 0.030 2 679 61 61 PRO HD3 H 2.786 0.030 2 680 61 61 PRO HG2 H 1.700 0.030 2 681 61 61 PRO HG3 H 1.875 0.030 2 682 61 61 PRO CA C 61.824 0.300 1 683 61 61 PRO CB C 31.024 0.300 1 684 61 61 PRO CD C 50.446 0.300 1 685 61 61 PRO CG C 27.495 0.300 1 686 62 62 PRO HA H 3.973 0.030 1 687 62 62 PRO HB2 H 1.925 0.030 2 688 62 62 PRO HB3 H 2.326 0.030 2 689 62 62 PRO HD2 H 3.719 0.030 1 690 62 62 PRO HD3 H 3.719 0.030 1 691 62 62 PRO HG2 H 2.127 0.030 2 692 62 62 PRO HG3 H 2.014 0.030 2 693 62 62 PRO C C 178.887 0.300 1 694 62 62 PRO CA C 65.600 0.300 1 695 62 62 PRO CB C 31.860 0.300 1 696 62 62 PRO CD C 50.368 0.300 1 697 62 62 PRO CG C 27.723 0.300 1 698 63 63 GLU H H 9.480 0.030 1 699 63 63 GLU HA H 4.197 0.030 1 700 63 63 GLU HB2 H 2.032 0.030 2 701 63 63 GLU HB3 H 2.057 0.030 2 702 63 63 GLU HG2 H 2.219 0.030 2 703 63 63 GLU HG3 H 2.346 0.030 2 704 63 63 GLU C C 177.182 0.300 1 705 63 63 GLU CA C 58.744 0.300 1 706 63 63 GLU CB C 28.282 0.300 1 707 63 63 GLU CG C 36.298 0.300 1 708 63 63 GLU N N 116.092 0.300 1 709 64 64 LYS H H 7.945 0.030 1 710 64 64 LYS HA H 4.481 0.030 1 711 64 64 LYS HB2 H 2.089 0.030 2 712 64 64 LYS HB3 H 1.503 0.030 2 713 64 64 LYS HD2 H 1.802 0.030 2 714 64 64 LYS HD3 H 1.726 0.030 2 715 64 64 LYS HE2 H 3.094 0.030 2 716 64 64 LYS HE3 H 3.038 0.030 2 717 64 64 LYS HG2 H 1.250 0.030 2 718 64 64 LYS HG3 H 1.782 0.030 2 719 64 64 LYS C C 175.681 0.300 1 720 64 64 LYS CA C 53.745 0.300 1 721 64 64 LYS CB C 32.872 0.300 1 722 64 64 LYS CD C 28.414 0.300 1 723 64 64 LYS CE C 42.324 0.300 1 724 64 64 LYS CG C 24.512 0.300 1 725 64 64 LYS N N 118.659 0.300 1 726 65 65 LYS H H 7.339 0.030 1 727 65 65 LYS HA H 4.343 0.030 1 728 65 65 LYS HB2 H 1.751 0.030 1 729 65 65 LYS HB3 H 1.751 0.030 1 730 65 65 LYS HD2 H 1.604 0.030 1 731 65 65 LYS HD3 H 1.604 0.030 1 732 65 65 LYS HE2 H 2.985 0.030 2 733 65 65 LYS HE3 H 2.816 0.030 2 734 65 65 LYS HG2 H 1.090 0.030 2 735 65 65 LYS HG3 H 1.505 0.030 2 736 65 65 LYS C C 173.956 0.300 1 737 65 65 LYS CA C 54.819 0.300 1 738 65 65 LYS CB C 32.550 0.300 1 739 65 65 LYS CD C 29.343 0.300 1 740 65 65 LYS CE C 42.392 0.300 1 741 65 65 LYS CG C 25.892 0.300 1 742 65 65 LYS N N 121.658 0.300 1 743 66 66 PRO HA H 4.552 0.030 1 744 66 66 PRO HB2 H 2.262 0.030 2 745 66 66 PRO HB3 H 1.930 0.030 2 746 66 66 PRO HD2 H 3.292 0.030 2 747 66 66 PRO HD3 H 3.711 0.030 2 748 66 66 PRO HG2 H 1.659 0.030 2 749 66 66 PRO HG3 H 1.847 0.030 2 750 66 66 PRO C C 176.761 0.300 1 751 66 66 PRO CA C 62.216 0.300 1 752 66 66 PRO CB C 32.256 0.300 1 753 66 66 PRO CD C 50.026 0.300 1 754 66 66 PRO CG C 27.227 0.300 1 755 67 67 THR H H 8.488 0.030 1 756 67 67 THR HA H 3.933 0.030 1 757 67 67 THR HB H 4.145 0.030 1 758 67 67 THR HG2 H 1.243 0.030 1 759 67 67 THR C C 174.922 0.300 1 760 67 67 THR CA C 64.582 0.300 1 761 67 67 THR CB C 68.922 0.300 1 762 67 67 THR CG2 C 22.303 0.300 1 763 67 67 THR N N 114.293 0.300 1 764 68 68 GLN H H 7.735 0.030 1 765 68 68 GLN HA H 4.439 0.030 1 766 68 68 GLN HB2 H 2.031 0.030 2 767 68 68 GLN HB3 H 1.880 0.030 2 768 68 68 GLN HE21 H 7.489 0.030 2 769 68 68 GLN HE22 H 6.816 0.030 2 770 68 68 GLN HG2 H 2.268 0.030 1 771 68 68 GLN HG3 H 2.268 0.030 1 772 68 68 GLN C C 175.297 0.300 1 773 68 68 GLN CA C 55.042 0.300 1 774 68 68 GLN CB C 30.443 0.300 1 775 68 68 GLN CG C 33.556 0.300 1 776 68 68 GLN N N 117.671 0.300 1 777 68 68 GLN NE2 N 112.134 0.300 1 778 69 69 GLY H H 8.257 0.030 1 779 69 69 GLY HA2 H 3.981 0.030 2 780 69 69 GLY HA3 H 3.741 0.030 2 781 69 69 GLY C C 172.479 0.300 1 782 69 69 GLY CA C 44.535 0.300 1 783 69 69 GLY N N 109.473 0.300 1 784 70 70 ASN H H 8.229 0.030 1 785 70 70 ASN HA H 4.774 0.030 1 786 70 70 ASN HB2 H 1.760 0.030 2 787 70 70 ASN HB3 H 2.158 0.030 2 788 70 70 ASN HD21 H 6.943 0.030 2 789 70 70 ASN HD22 H 7.413 0.030 2 790 70 70 ASN C C 172.754 0.300 1 791 70 70 ASN CA C 51.093 0.300 1 792 70 70 ASN CB C 38.619 0.300 1 793 70 70 ASN N N 117.231 0.300 1 794 70 70 ASN ND2 N 115.159 0.300 1 795 71 71 PRO HA H 4.408 0.030 1 796 71 71 PRO HB2 H 1.933 0.030 2 797 71 71 PRO HB3 H 2.231 0.030 2 798 71 71 PRO HD2 H 3.219 0.030 2 799 71 71 PRO HD3 H 3.591 0.030 2 800 71 71 PRO HG2 H 1.868 0.030 2 801 71 71 PRO HG3 H 2.138 0.030 2 802 71 71 PRO C C 174.751 0.300 1 803 71 71 PRO CA C 62.779 0.300 1 804 71 71 PRO CB C 32.079 0.300 1 805 71 71 PRO CD C 49.629 0.300 1 806 71 71 PRO CG C 28.071 0.300 1 807 72 72 LEU H H 9.052 0.030 1 808 72 72 LEU HA H 4.844 0.030 1 809 72 72 LEU HB2 H 1.779 0.030 2 810 72 72 LEU HB3 H 1.543 0.030 2 811 72 72 LEU HD1 H 0.920 0.030 1 812 72 72 LEU HD2 H 0.910 0.030 1 813 72 72 LEU HG H 1.811 0.030 1 814 72 72 LEU C C 175.396 0.300 1 815 72 72 LEU CA C 51.909 0.300 1 816 72 72 LEU CB C 42.634 0.300 1 817 72 72 LEU CD1 C 25.552 0.300 2 818 72 72 LEU CD2 C 23.197 0.300 2 819 72 72 LEU CG C 26.962 0.300 1 820 72 72 LEU N N 122.911 0.300 1 821 73 73 PRO HA H 4.630 0.030 1 822 73 73 PRO HB2 H 2.369 0.030 2 823 73 73 PRO HB3 H 2.645 0.030 2 824 73 73 PRO HD2 H 3.860 0.030 2 825 73 73 PRO HD3 H 3.744 0.030 2 826 73 73 PRO HG2 H 2.237 0.030 2 827 73 73 PRO HG3 H 1.962 0.030 2 828 73 73 PRO CA C 61.617 0.300 1 829 73 73 PRO CB C 31.557 0.300 1 830 73 73 PRO CD C 50.221 0.300 1 831 73 73 PRO CG C 27.673 0.300 1 832 74 74 PRO HA H 5.701 0.030 1 833 74 74 PRO HB2 H 2.171 0.030 2 834 74 74 PRO HB3 H 1.820 0.030 2 835 74 74 PRO HD2 H 4.133 0.030 2 836 74 74 PRO HD3 H 3.336 0.030 2 837 74 74 PRO HG2 H 1.823 0.030 2 838 74 74 PRO HG3 H 2.123 0.030 2 839 74 74 PRO C C 176.379 0.300 1 840 74 74 PRO CA C 60.891 0.300 1 841 74 74 PRO CB C 35.033 0.300 1 842 74 74 PRO CD C 49.850 0.300 1 843 74 74 PRO CG C 24.668 0.300 1 844 75 75 GLN H H 8.089 0.030 1 845 75 75 GLN HA H 5.016 0.030 1 846 75 75 GLN HB2 H 1.930 0.030 2 847 75 75 GLN HB3 H 2.528 0.030 2 848 75 75 GLN HE21 H 7.713 0.030 2 849 75 75 GLN HE22 H 7.872 0.030 2 850 75 75 GLN HG2 H 2.477 0.030 2 851 75 75 GLN HG3 H 2.522 0.030 2 852 75 75 GLN C C 174.962 0.300 1 853 75 75 GLN CA C 54.739 0.300 1 854 75 75 GLN CB C 31.446 0.300 1 855 75 75 GLN CG C 32.292 0.300 1 856 75 75 GLN N N 118.128 0.300 1 857 75 75 GLN NE2 N 109.695 0.300 1 858 76 76 ILE H H 8.866 0.030 1 859 76 76 ILE HA H 5.019 0.030 1 860 76 76 ILE HB H 1.571 0.030 1 861 76 76 ILE HD1 H 0.737 0.030 1 862 76 76 ILE HG12 H 0.816 0.030 2 863 76 76 ILE HG13 H 1.513 0.030 2 864 76 76 ILE HG2 H 0.721 0.030 1 865 76 76 ILE C C 173.637 0.300 1 866 76 76 ILE CA C 62.277 0.300 1 867 76 76 ILE CB C 40.556 0.300 1 868 76 76 ILE CD1 C 15.171 0.300 1 869 76 76 ILE CG1 C 28.968 0.300 1 870 76 76 ILE CG2 C 18.966 0.300 1 871 76 76 ILE N N 123.413 0.300 1 872 77 77 PHE H H 9.522 0.030 1 873 77 77 PHE HA H 5.176 0.030 1 874 77 77 PHE HB2 H 3.293 0.030 2 875 77 77 PHE HB3 H 3.185 0.030 2 876 77 77 PHE HD1 H 7.371 0.030 1 877 77 77 PHE HD2 H 7.371 0.030 1 878 77 77 PHE HE1 H 6.993 0.030 1 879 77 77 PHE HE2 H 6.993 0.030 1 880 77 77 PHE HZ H 6.794 0.030 1 881 77 77 PHE C C 174.055 0.300 1 882 77 77 PHE CA C 56.972 0.300 1 883 77 77 PHE CB C 43.893 0.300 1 884 77 77 PHE CD1 C 133.098 0.300 1 885 77 77 PHE CD2 C 133.098 0.300 1 886 77 77 PHE CE1 C 131.228 0.300 1 887 77 77 PHE CE2 C 131.228 0.300 1 888 77 77 PHE CZ C 129.565 0.300 1 889 77 77 PHE N N 127.503 0.300 1 890 78 78 ASN H H 9.470 0.030 1 891 78 78 ASN HA H 5.002 0.030 1 892 78 78 ASN HB2 H 2.423 0.030 2 893 78 78 ASN HB3 H 2.819 0.030 2 894 78 78 ASN HD21 H 6.392 0.030 2 895 78 78 ASN HD22 H 8.155 0.030 2 896 78 78 ASN C C 176.976 0.300 1 897 78 78 ASN CA C 52.209 0.300 1 898 78 78 ASN CB C 37.941 0.300 1 899 78 78 ASN N N 121.368 0.300 1 900 78 78 ASN ND2 N 109.401 0.300 1 901 79 79 GLY H H 8.549 0.030 1 902 79 79 GLY HA2 H 4.145 0.030 2 903 79 79 GLY HA3 H 3.745 0.030 2 904 79 79 GLY C C 174.397 0.300 1 905 79 79 GLY CA C 48.241 0.300 1 906 79 79 GLY N N 113.844 0.300 1 907 80 80 ASP H H 8.868 0.030 1 908 80 80 ASP HA H 4.919 0.030 1 909 80 80 ASP HB2 H 2.993 0.030 2 910 80 80 ASP HB3 H 2.867 0.030 2 911 80 80 ASP C C 175.639 0.300 1 912 80 80 ASP CA C 54.248 0.300 1 913 80 80 ASP CB C 41.171 0.300 1 914 80 80 ASP N N 127.354 0.300 1 915 81 81 ARG H H 8.572 0.030 1 916 81 81 ARG HA H 4.651 0.030 1 917 81 81 ARG HB2 H 2.145 0.030 2 918 81 81 ARG HB3 H 2.038 0.030 2 919 81 81 ARG HD2 H 3.310 0.030 2 920 81 81 ARG HD3 H 3.231 0.030 2 921 81 81 ARG HG2 H 1.655 0.030 2 922 81 81 ARG HG3 H 1.815 0.030 2 923 81 81 ARG C C 175.818 0.300 1 924 81 81 ARG CA C 55.751 0.300 1 925 81 81 ARG CB C 31.321 0.300 1 926 81 81 ARG CD C 43.682 0.300 1 927 81 81 ARG CG C 27.242 0.300 1 928 81 81 ARG N N 121.866 0.300 1 929 82 82 TYR H H 9.290 0.030 1 930 82 82 TYR HA H 3.618 0.030 1 931 82 82 TYR HB2 H 2.696 0.030 2 932 82 82 TYR HB3 H 2.959 0.030 2 933 82 82 TYR HD1 H 6.783 0.030 3 934 82 82 TYR HD2 H 6.791 0.030 3 935 82 82 TYR HE1 H 5.864 0.030 3 936 82 82 TYR HE2 H 7.010 0.030 3 937 82 82 TYR C C 175.887 0.300 1 938 82 82 TYR CA C 60.204 0.300 1 939 82 82 TYR CB C 38.133 0.300 1 940 82 82 TYR N N 128.275 0.300 1 941 83 83 CYS H H 8.278 0.030 1 942 83 83 CYS HA H 4.144 0.030 1 943 83 83 CYS HB2 H 1.816 0.030 2 944 83 83 CYS HB3 H 1.582 0.030 2 945 83 83 CYS C C 173.990 0.300 1 946 83 83 CYS CA C 59.489 0.300 1 947 83 83 CYS CB C 27.490 0.300 1 948 83 83 CYS N N 124.799 0.300 1 949 84 84 GLY H H 6.564 0.030 1 950 84 84 GLY HA2 H 3.784 0.030 2 951 84 84 GLY HA3 H 4.175 0.030 2 952 84 84 GLY C C 168.776 0.300 1 953 84 84 GLY CA C 46.176 0.300 1 954 84 84 GLY N N 102.813 0.300 1 955 85 85 ASP H H 7.598 0.030 1 956 85 85 ASP HA H 5.080 0.030 1 957 85 85 ASP HB2 H 3.161 0.030 2 958 85 85 ASP HB3 H 3.785 0.030 2 959 85 85 ASP C C 176.350 0.300 1 960 85 85 ASP CA C 50.984 0.300 1 961 85 85 ASP CB C 41.861 0.300 1 962 85 85 ASP N N 117.988 0.300 1 963 86 86 TYR H H 9.357 0.030 1 964 86 86 TYR HA H 3.867 0.030 1 965 86 86 TYR HB2 H 3.158 0.030 2 966 86 86 TYR HB3 H 2.979 0.030 2 967 86 86 TYR HD1 H 6.980 0.030 1 968 86 86 TYR HD2 H 6.980 0.030 1 969 86 86 TYR HE1 H 6.941 0.030 1 970 86 86 TYR HE2 H 6.941 0.030 1 971 86 86 TYR C C 176.378 0.300 1 972 86 86 TYR CA C 63.996 0.300 1 973 86 86 TYR CB C 38.677 0.300 1 974 86 86 TYR CD1 C 133.581 0.300 1 975 86 86 TYR CD2 C 133.581 0.300 1 976 86 86 TYR CE1 C 118.645 0.300 1 977 86 86 TYR CE2 C 118.645 0.300 1 978 86 86 TYR N N 118.196 0.300 1 979 87 87 ASP H H 7.816 0.030 1 980 87 87 ASP HA H 4.320 0.030 1 981 87 87 ASP HB2 H 2.708 0.030 1 982 87 87 ASP HB3 H 2.708 0.030 1 983 87 87 ASP C C 179.155 0.300 1 984 87 87 ASP CA C 57.918 0.300 1 985 87 87 ASP CB C 39.885 0.300 1 986 87 87 ASP N N 117.409 0.300 1 987 88 88 SER H H 8.149 0.030 1 988 88 88 SER HA H 4.192 0.030 1 989 88 88 SER HB2 H 4.002 0.030 1 990 88 88 SER HB3 H 4.002 0.030 1 991 88 88 SER C C 176.730 0.300 1 992 88 88 SER CA C 61.345 0.300 1 993 88 88 SER CB C 63.110 0.300 1 994 88 88 SER N N 116.033 0.300 1 995 89 89 PHE H H 8.194 0.030 1 996 89 89 PHE HA H 2.716 0.030 1 997 89 89 PHE HB2 H 2.643 0.030 2 998 89 89 PHE HB3 H 2.907 0.030 2 999 89 89 PHE HD1 H 6.605 0.030 1 1000 89 89 PHE HD2 H 6.605 0.030 1 1001 89 89 PHE HE1 H 6.757 0.030 1 1002 89 89 PHE HE2 H 6.757 0.030 1 1003 89 89 PHE HZ H 6.760 0.030 1 1004 89 89 PHE C C 175.838 0.300 1 1005 89 89 PHE CA C 60.307 0.300 1 1006 89 89 PHE CB C 37.775 0.300 1 1007 89 89 PHE CD1 C 131.630 0.300 1 1008 89 89 PHE CD2 C 131.630 0.300 1 1009 89 89 PHE CE1 C 130.175 0.300 1 1010 89 89 PHE CE2 C 130.175 0.300 1 1011 89 89 PHE CZ C 130.173 0.300 1 1012 89 89 PHE N N 125.473 0.300 1 1013 90 90 PHE H H 9.107 0.030 1 1014 90 90 PHE HA H 3.081 0.030 1 1015 90 90 PHE HB2 H 2.461 0.030 2 1016 90 90 PHE HB3 H 2.891 0.030 2 1017 90 90 PHE HD1 H 7.043 0.030 1 1018 90 90 PHE HD2 H 7.043 0.030 1 1019 90 90 PHE HE1 H 7.284 0.030 1 1020 90 90 PHE HE2 H 7.284 0.030 1 1021 90 90 PHE HZ H 7.219 0.030 1 1022 90 90 PHE C C 177.170 0.300 1 1023 90 90 PHE CA C 62.167 0.300 1 1024 90 90 PHE CB C 39.023 0.300 1 1025 90 90 PHE CD1 C 131.722 0.300 1 1026 90 90 PHE CD2 C 131.722 0.300 1 1027 90 90 PHE CE1 C 131.650 0.300 1 1028 90 90 PHE CE2 C 131.650 0.300 1 1029 90 90 PHE CZ C 129.933 0.300 1 1030 90 90 PHE N N 122.727 0.300 1 1031 91 91 GLU H H 7.805 0.030 1 1032 91 91 GLU HA H 3.789 0.030 1 1033 91 91 GLU HB2 H 1.960 0.030 2 1034 91 91 GLU HB3 H 1.881 0.030 2 1035 91 91 GLU HG2 H 2.166 0.030 2 1036 91 91 GLU HG3 H 2.340 0.030 2 1037 91 91 GLU C C 179.355 0.300 1 1038 91 91 GLU CA C 59.048 0.300 1 1039 91 91 GLU CB C 29.314 0.300 1 1040 91 91 GLU CG C 36.256 0.300 1 1041 91 91 GLU N N 117.825 0.300 1 1042 92 92 SER H H 7.198 0.030 1 1043 92 92 SER HA H 3.866 0.030 1 1044 92 92 SER HB2 H 3.113 0.030 2 1045 92 92 SER HB3 H 3.233 0.030 2 1046 92 92 SER C C 175.582 0.300 1 1047 92 92 SER CA C 60.885 0.300 1 1048 92 92 SER CB C 62.038 0.300 1 1049 92 92 SER N N 116.783 0.300 1 1050 93 93 LYS H H 7.757 0.030 1 1051 93 93 LYS HA H 3.432 0.030 1 1052 93 93 LYS HB2 H 1.186 0.030 2 1053 93 93 LYS HB3 H 0.606 0.030 2 1054 93 93 LYS HD2 H 1.262 0.030 2 1055 93 93 LYS HD3 H 1.064 0.030 2 1056 93 93 LYS HE2 H 2.690 0.030 1 1057 93 93 LYS HE3 H 2.690 0.030 1 1058 93 93 LYS HG2 H 0.796 0.030 2 1059 93 93 LYS HG3 H 0.727 0.030 2 1060 93 93 LYS C C 180.366 0.300 1 1061 93 93 LYS CA C 59.521 0.300 1 1062 93 93 LYS CB C 31.125 0.300 1 1063 93 93 LYS CD C 29.609 0.300 1 1064 93 93 LYS CE C 41.289 0.300 1 1065 93 93 LYS CG C 24.005 0.300 1 1066 93 93 LYS N N 125.319 0.300 1 1067 94 94 GLU H H 7.701 0.030 1 1068 94 94 GLU HA H 3.786 0.030 1 1069 94 94 GLU HB2 H 1.847 0.030 2 1070 94 94 GLU HB3 H 1.796 0.030 2 1071 94 94 GLU HG2 H 1.845 0.030 2 1072 94 94 GLU HG3 H 1.589 0.030 2 1073 94 94 GLU C C 177.689 0.300 1 1074 94 94 GLU CA C 58.870 0.300 1 1075 94 94 GLU CB C 29.641 0.300 1 1076 94 94 GLU CG C 36.800 0.300 1 1077 94 94 GLU N N 119.564 0.300 1 1078 95 95 SER H H 7.521 0.030 1 1079 95 95 SER HA H 4.425 0.030 1 1080 95 95 SER HB2 H 4.054 0.030 2 1081 95 95 SER HB3 H 3.781 0.030 2 1082 95 95 SER C C 173.714 0.300 1 1083 95 95 SER CA C 57.724 0.300 1 1084 95 95 SER CB C 63.945 0.300 1 1085 95 95 SER N N 110.605 0.300 1 1086 96 96 ASN H H 7.762 0.030 1 1087 96 96 ASN HA H 4.555 0.030 1 1088 96 96 ASN HB2 H 3.278 0.030 2 1089 96 96 ASN HB3 H 2.783 0.030 2 1090 96 96 ASN HD21 H 7.618 0.030 2 1091 96 96 ASN HD22 H 6.882 0.030 2 1092 96 96 ASN C C 175.859 0.300 1 1093 96 96 ASN CA C 54.594 0.300 1 1094 96 96 ASN CB C 37.142 0.300 1 1095 96 96 ASN N N 118.103 0.300 1 1096 96 96 ASN ND2 N 112.805 0.300 1 1097 97 97 THR H H 8.856 0.030 1 1098 97 97 THR HA H 4.920 0.030 1 1099 97 97 THR HB H 4.613 0.030 1 1100 97 97 THR HG2 H 1.095 0.030 1 1101 97 97 THR C C 175.972 0.300 1 1102 97 97 THR CA C 60.454 0.300 1 1103 97 97 THR CB C 68.886 0.300 1 1104 97 97 THR CG2 C 21.333 0.300 1 1105 97 97 THR N N 108.089 0.300 1 1106 98 98 VAL H H 7.772 0.030 1 1107 98 98 VAL HA H 3.647 0.030 1 1108 98 98 VAL HB H 1.589 0.030 1 1109 98 98 VAL HG1 H 0.528 0.030 1 1110 98 98 VAL HG2 H 0.329 0.030 1 1111 98 98 VAL C C 177.204 0.300 1 1112 98 98 VAL CA C 65.566 0.300 1 1113 98 98 VAL CB C 31.407 0.300 1 1114 98 98 VAL CG1 C 21.359 0.300 2 1115 98 98 VAL CG2 C 21.538 0.300 2 1116 98 98 VAL N N 122.819 0.300 1 1117 99 99 PHE H H 8.378 0.030 1 1118 99 99 PHE HA H 4.119 0.030 1 1119 99 99 PHE HB2 H 2.977 0.030 2 1120 99 99 PHE HB3 H 3.138 0.030 2 1121 99 99 PHE HD1 H 7.313 0.030 1 1122 99 99 PHE HD2 H 7.313 0.030 1 1123 99 99 PHE HE1 H 7.381 0.030 1 1124 99 99 PHE HE2 H 7.381 0.030 1 1125 99 99 PHE HZ H 7.324 0.030 1 1126 99 99 PHE C C 177.993 0.300 1 1127 99 99 PHE CA C 62.946 0.300 1 1128 99 99 PHE CB C 37.243 0.300 1 1129 99 99 PHE CD1 C 131.192 0.300 1 1130 99 99 PHE CD2 C 131.192 0.300 1 1131 99 99 PHE CE1 C 131.650 0.300 1 1132 99 99 PHE CE2 C 131.650 0.300 1 1133 99 99 PHE CZ C 130.173 0.300 1 1134 99 99 PHE N N 117.642 0.300 1 1135 100 100 SER H H 7.759 0.030 1 1136 100 100 SER HA H 4.464 0.030 1 1137 100 100 SER HB2 H 3.971 0.030 1 1138 100 100 SER HB3 H 3.971 0.030 1 1139 100 100 SER C C 178.168 0.300 1 1140 100 100 SER CA C 61.179 0.300 1 1141 100 100 SER CB C 62.498 0.300 1 1142 100 100 SER N N 114.639 0.300 1 1143 101 101 PHE H H 8.369 0.030 1 1144 101 101 PHE HA H 4.274 0.030 1 1145 101 101 PHE HB2 H 3.404 0.030 2 1146 101 101 PHE HB3 H 3.310 0.030 2 1147 101 101 PHE HD1 H 7.157 0.030 1 1148 101 101 PHE HD2 H 7.157 0.030 1 1149 101 101 PHE HE1 H 6.984 0.030 1 1150 101 101 PHE HE2 H 6.984 0.030 1 1151 101 101 PHE HZ H 6.624 0.030 1 1152 101 101 PHE C C 176.825 0.300 1 1153 101 101 PHE CA C 60.544 0.300 1 1154 101 101 PHE CB C 38.685 0.300 1 1155 101 101 PHE CD1 C 132.275 0.300 1 1156 101 101 PHE CD2 C 132.275 0.300 1 1157 101 101 PHE CE1 C 130.286 0.300 1 1158 101 101 PHE CE2 C 130.286 0.300 1 1159 101 101 PHE CZ C 127.175 0.300 1 1160 101 101 PHE N N 126.919 0.300 1 1161 102 102 LEU H H 7.964 0.030 1 1162 102 102 LEU HA H 4.075 0.030 1 1163 102 102 LEU HB2 H 1.781 0.030 2 1164 102 102 LEU HB3 H 1.597 0.030 2 1165 102 102 LEU HD1 H 0.809 0.030 1 1166 102 102 LEU HD2 H 0.759 0.030 1 1167 102 102 LEU HG H 2.189 0.030 1 1168 102 102 LEU C C 175.942 0.300 1 1169 102 102 LEU CA C 55.034 0.300 1 1170 102 102 LEU CB C 43.060 0.300 1 1171 102 102 LEU CD1 C 27.769 0.300 2 1172 102 102 LEU CD2 C 23.219 0.300 2 1173 102 102 LEU CG C 26.385 0.300 1 1174 102 102 LEU N N 115.611 0.300 1 1175 103 103 GLY H H 7.788 0.030 1 1176 103 103 GLY HA2 H 3.832 0.030 1 1177 103 103 GLY HA3 H 3.832 0.030 1 1178 103 103 GLY C C 174.832 0.300 1 1179 103 103 GLY CA C 45.933 0.300 1 1180 103 103 GLY N N 106.368 0.300 1 1181 104 104 LEU H H 7.939 0.030 1 1182 104 104 LEU HA H 4.447 0.030 1 1183 104 104 LEU HB2 H 1.752 0.030 2 1184 104 104 LEU HB3 H 1.688 0.030 2 1185 104 104 LEU HD1 H 0.897 0.030 1 1186 104 104 LEU HD2 H 0.884 0.030 1 1187 104 104 LEU HG H 1.511 0.030 1 1188 104 104 LEU C C 176.697 0.300 1 1189 104 104 LEU CA C 54.229 0.300 1 1190 104 104 LEU CB C 43.522 0.300 1 1191 104 104 LEU CD1 C 26.664 0.300 2 1192 104 104 LEU CD2 C 22.696 0.300 2 1193 104 104 LEU CG C 26.805 0.300 1 1194 104 104 LEU N N 118.636 0.300 1 1195 105 105 LYS H H 7.994 0.030 1 1196 105 105 LYS HA H 4.391 0.030 1 1197 105 105 LYS HB2 H 1.661 0.030 2 1198 105 105 LYS HB3 H 1.824 0.030 2 1199 105 105 LYS HD2 H 1.639 0.030 1 1200 105 105 LYS HD3 H 1.639 0.030 1 1201 105 105 LYS HE2 H 2.916 0.030 1 1202 105 105 LYS HE3 H 2.916 0.030 1 1203 105 105 LYS HG2 H 1.385 0.030 1 1204 105 105 LYS HG3 H 1.385 0.030 1 1205 105 105 LYS C C 176.074 0.300 1 1206 105 105 LYS CA C 55.843 0.300 1 1207 105 105 LYS CB C 33.751 0.300 1 1208 105 105 LYS CD C 29.044 0.300 1 1209 105 105 LYS CE C 42.187 0.300 1 1210 105 105 LYS CG C 24.696 0.300 1 1211 105 105 LYS N N 119.970 0.300 1 1212 106 106 SER H H 8.322 0.030 1 1213 106 106 SER HA H 4.369 0.030 1 1214 106 106 SER HB2 H 3.749 0.030 1 1215 106 106 SER HB3 H 3.749 0.030 1 1216 106 106 SER C C 174.366 0.300 1 1217 106 106 SER CA C 58.105 0.300 1 1218 106 106 SER CB C 64.144 0.300 1 1219 106 106 SER N N 117.157 0.300 1 1220 107 107 GLY H H 8.191 0.030 1 1221 107 107 GLY HA2 H 3.972 0.030 2 1222 107 107 GLY HA3 H 4.060 0.030 2 1223 107 107 GLY C C 171.746 0.300 1 1224 107 107 GLY CA C 44.572 0.300 1 1225 107 107 GLY N N 110.443 0.300 1 1226 108 108 PRO HA H 4.442 0.030 1 1227 108 108 PRO HB2 H 1.963 0.030 2 1228 108 108 PRO HB3 H 2.276 0.030 2 1229 108 108 PRO HD2 H 3.581 0.030 2 1230 108 108 PRO HD3 H 3.521 0.030 2 1231 108 108 PRO HG2 H 1.998 0.030 1 1232 108 108 PRO HG3 H 1.998 0.030 1 1233 108 108 PRO C C 177.400 0.300 1 1234 108 108 PRO CA C 63.275 0.300 1 1235 108 108 PRO CB C 32.236 0.300 1 1236 108 108 PRO CD C 49.772 0.300 1 1237 108 108 PRO CG C 27.177 0.300 1 1238 109 109 SER H H 8.522 0.030 1 1239 109 109 SER HA H 4.492 0.030 1 1240 109 109 SER HB2 H 3.907 0.030 1 1241 109 109 SER HB3 H 3.907 0.030 1 1242 109 109 SER C C 174.644 0.300 1 1243 109 109 SER CA C 58.380 0.300 1 1244 109 109 SER CB C 63.632 0.300 1 1245 109 109 SER N N 116.266 0.300 1 1246 110 110 SER H H 8.302 0.030 1 1247 110 110 SER HA H 4.482 0.030 1 1248 110 110 SER HB2 H 3.875 0.030 1 1249 110 110 SER HB3 H 3.875 0.030 1 1250 110 110 SER C C 173.923 0.300 1 1251 110 110 SER CA C 58.386 0.300 1 1252 110 110 SER CB C 63.954 0.300 1 1253 110 110 SER N N 117.717 0.300 1 1254 111 111 GLY H H 8.039 0.030 1 1255 111 111 GLY HA2 H 4.479 0.030 2 1256 111 111 GLY HA3 H 3.767 0.030 2 1257 111 111 GLY C C 179.012 0.300 1 1258 111 111 GLY CA C 46.244 0.300 1 1259 111 111 GLY N N 116.866 0.300 1 stop_ save_