data_10317 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Solution structure of the PH domain of pleckstrin homology domain-containing protein family A member 5 from human ; _BMRB_accession_number 10317 _BMRB_flat_file_name bmr10317.str _Entry_type new _Submission_date 2009-03-11 _Accession_date 2009-03-11 _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 Tomizawa T. . . 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" 743 "13C chemical shifts" 558 "15N chemical shifts" 117 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2010-03-11 original author . stop_ save_ ############################# # Citation for this entry # ############################# save_citation_1 _Saveframe_category entry_citation _Citation_full . _Citation_title ; Solution structure of the PH domain of pleckstrin homology domain-containing protein family A member 5 from human" ; _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 Tomizawa T. . . 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 'Pleckstrin homology domain-containing family A member 5' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label 'Pleckstrin homology domain-containing family A member 5' $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 'PH domain' _Molecular_mass . _Mol_thiol_state 'all free' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 128 _Mol_residue_sequence ; GSSGSSGKRSNSIKRNPNAP VVRRGWLYKQDSTGMKLWKK RWFVLSDLCLFYYRDEKEEG ILGSILLPSFQIALLTSEDH INRKYAFKAAHPNMRTYYFC TDTGKEMELWMKAMLDAALV QTSGPSSG ; loop_ _Residue_seq_code _Residue_label 1 GLY 2 SER 3 SER 4 GLY 5 SER 6 SER 7 GLY 8 LYS 9 ARG 10 SER 11 ASN 12 SER 13 ILE 14 LYS 15 ARG 16 ASN 17 PRO 18 ASN 19 ALA 20 PRO 21 VAL 22 VAL 23 ARG 24 ARG 25 GLY 26 TRP 27 LEU 28 TYR 29 LYS 30 GLN 31 ASP 32 SER 33 THR 34 GLY 35 MET 36 LYS 37 LEU 38 TRP 39 LYS 40 LYS 41 ARG 42 TRP 43 PHE 44 VAL 45 LEU 46 SER 47 ASP 48 LEU 49 CYS 50 LEU 51 PHE 52 TYR 53 TYR 54 ARG 55 ASP 56 GLU 57 LYS 58 GLU 59 GLU 60 GLY 61 ILE 62 LEU 63 GLY 64 SER 65 ILE 66 LEU 67 LEU 68 PRO 69 SER 70 PHE 71 GLN 72 ILE 73 ALA 74 LEU 75 LEU 76 THR 77 SER 78 GLU 79 ASP 80 HIS 81 ILE 82 ASN 83 ARG 84 LYS 85 TYR 86 ALA 87 PHE 88 LYS 89 ALA 90 ALA 91 HIS 92 PRO 93 ASN 94 MET 95 ARG 96 THR 97 TYR 98 TYR 99 PHE 100 CYS 101 THR 102 ASP 103 THR 104 GLY 105 LYS 106 GLU 107 MET 108 GLU 109 LEU 110 TRP 111 MET 112 LYS 113 ALA 114 MET 115 LEU 116 ASP 117 ALA 118 ALA 119 LEU 120 VAL 121 GLN 122 THR 123 SER 124 GLY 125 PRO 126 SER 127 SER 128 GLY stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2015-01-31 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 2DKP "Solution Structure Of The Ph Domain Of Pleckstrin Homology Domain-Containing Protein Family A Member 5 From Human" 100.00 128 100.00 100.00 9.90e-90 DBJ BAB21777 "KIAA1686 protein [Homo sapiens]" 90.63 1175 100.00 100.00 3.84e-74 DBJ BAC98233 "mKIAA1686 protein [Mus musculus]" 90.63 1205 98.28 100.00 4.62e-74 DBJ BAG10115 "pleckstrin homology domain-containing protein, family A member 5 [synthetic construct]" 90.63 1174 100.00 100.00 4.21e-74 DBJ BAG57882 "unnamed protein product [Homo sapiens]" 90.63 1098 100.00 100.00 2.51e-74 DBJ BAG58167 "unnamed protein product [Homo sapiens]" 90.63 1183 100.00 100.00 6.79e-76 GB AAG22817 "phosphoinositol 3-phosphate-binding protein-2 [Homo sapiens]" 90.63 1116 100.00 100.00 5.28e-74 GB AAH00969 "PLEKHA5 protein, partial [Homo sapiens]" 88.28 492 100.00 100.00 1.16e-76 GB AAH70174 "PLEKHA5 protein, partial [Homo sapiens]" 90.63 320 100.00 100.00 6.62e-80 GB AAI27093 "Pleckstrin homology domain containing, family A member 5 [Homo sapiens]" 90.63 1116 100.00 100.00 5.28e-74 GB AAM44231 "phosphoinositol 3-phosphate-binding protein-2-like protein [Rattus norvegicus]" 90.63 574 98.28 100.00 1.37e-77 REF NP_001137293 "pleckstrin homology domain-containing family A member 5 isoform 2 [Homo sapiens]" 90.63 1174 100.00 100.00 4.21e-74 REF NP_001243399 "pleckstrin homology domain-containing family A member 5 isoform 4 [Homo sapiens]" 90.63 1282 100.00 100.00 5.46e-74 REF NP_001243716 "pleckstrin homology domain-containing family A member 5 isoform 5 [Homo sapiens]" 90.63 1098 100.00 100.00 2.51e-74 REF NP_061885 "pleckstrin homology domain-containing family A member 5 isoform 1 [Homo sapiens]" 90.63 1116 100.00 100.00 5.28e-74 REF NP_647556 "pleckstrin homology domain-containing family A member 5 [Rattus norvegicus]" 90.63 1281 98.28 100.00 2.07e-73 SP Q9HAU0 "RecName: Full=Pleckstrin homology domain-containing family A member 5; Short=PH domain-containing family A member 5; AltName: F" 90.63 1116 100.00 100.00 5.28e-74 TPG DAA29392 "TPA: pleckstrin homology domain containing, family A member 5 [Bos taurus]" 90.63 1099 100.00 100.00 1.11e-76 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' . . . . plasmid P051025-03 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 1.14 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 3.5 loop_ _Vendor _Address _Electronic_address Bruker . . stop_ loop_ _Task collection stop_ _Details . save_ save_software_2 _Saveframe_category software _Name NMRPipe _Version 20030801 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 0.932 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 'structure solution' refinement 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_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 H 1 'methyl protons' ppm 0.0 . indirect . . . 1.0 DSS C 13 'methyl protons' ppm 0.0 . indirect . . . 0.251449530 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 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 'Pleckstrin homology domain-containing family A member 5' _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 7 7 GLY HA2 H 3.961 0.030 1 2 7 7 GLY HA3 H 3.961 0.030 1 3 7 7 GLY C C 174.082 0.300 1 4 7 7 GLY CA C 45.371 0.300 1 5 8 8 LYS H H 8.142 0.030 1 6 8 8 LYS HA H 4.331 0.030 1 7 8 8 LYS HB2 H 1.828 0.030 2 8 8 8 LYS HB3 H 1.746 0.030 2 9 8 8 LYS HE2 H 2.973 0.030 1 10 8 8 LYS HE3 H 2.973 0.030 1 11 8 8 LYS HG2 H 1.428 0.030 1 12 8 8 LYS HG3 H 1.428 0.030 1 13 8 8 LYS C C 176.757 0.300 1 14 8 8 LYS CA C 56.328 0.300 1 15 8 8 LYS CB C 33.126 0.300 1 16 8 8 LYS CD C 29.143 0.300 1 17 8 8 LYS CE C 42.129 0.300 1 18 8 8 LYS CG C 24.622 0.300 1 19 8 8 LYS N N 120.952 0.300 1 20 9 9 ARG H H 8.434 0.030 1 21 9 9 ARG HA H 4.383 0.030 1 22 9 9 ARG HB2 H 1.885 0.030 2 23 9 9 ARG HB3 H 1.785 0.030 2 24 9 9 ARG HD2 H 3.212 0.030 1 25 9 9 ARG HD3 H 3.212 0.030 1 26 9 9 ARG HG2 H 1.647 0.030 1 27 9 9 ARG HG3 H 1.647 0.030 1 28 9 9 ARG C C 176.502 0.300 1 29 9 9 ARG CA C 56.152 0.300 1 30 9 9 ARG CB C 30.951 0.300 1 31 9 9 ARG CD C 43.366 0.300 1 32 9 9 ARG CG C 27.183 0.300 1 33 9 9 ARG N N 122.638 0.300 1 34 11 11 ASN HB2 H 2.792 0.030 1 35 11 11 ASN HB3 H 2.792 0.030 1 36 11 11 ASN HD21 H 7.615 0.030 2 37 11 11 ASN HD22 H 6.905 0.030 2 38 11 11 ASN ND2 N 112.912 0.300 1 39 12 12 SER HA H 4.461 0.030 1 40 12 12 SER HB2 H 3.804 0.030 1 41 12 12 SER HB3 H 3.804 0.030 1 42 12 12 SER C C 173.922 0.300 1 43 12 12 SER CA C 58.154 0.300 1 44 12 12 SER CB C 63.828 0.300 1 45 13 13 ILE H H 8.053 0.030 1 46 13 13 ILE HA H 4.185 0.030 1 47 13 13 ILE HB H 1.815 0.030 1 48 13 13 ILE HD1 H 0.861 0.030 1 49 13 13 ILE HG12 H 1.505 0.030 2 50 13 13 ILE HG13 H 1.183 0.030 2 51 13 13 ILE HG2 H 0.988 0.030 1 52 13 13 ILE C C 175.487 0.300 1 53 13 13 ILE CA C 61.052 0.300 1 54 13 13 ILE CB C 38.801 0.300 1 55 13 13 ILE CD1 C 13.358 0.300 1 56 13 13 ILE CG1 C 27.663 0.300 1 57 13 13 ILE CG2 C 18.047 0.300 1 58 13 13 ILE N N 123.428 0.300 1 59 14 14 LYS H H 8.414 0.030 1 60 14 14 LYS HA H 4.416 0.030 1 61 14 14 LYS HB2 H 1.671 0.030 2 62 14 14 LYS HB3 H 1.750 0.030 2 63 14 14 LYS HD2 H 1.656 0.030 1 64 14 14 LYS HD3 H 1.656 0.030 1 65 14 14 LYS HE2 H 2.984 0.030 1 66 14 14 LYS HE3 H 2.984 0.030 1 67 14 14 LYS HG2 H 1.413 0.030 2 68 14 14 LYS HG3 H 1.357 0.030 2 69 14 14 LYS C C 175.519 0.300 1 70 14 14 LYS CA C 55.099 0.300 1 71 14 14 LYS CB C 33.992 0.300 1 72 14 14 LYS CD C 29.061 0.300 1 73 14 14 LYS CE C 42.129 0.300 1 74 14 14 LYS CG C 24.567 0.300 1 75 14 14 LYS N N 125.803 0.300 1 76 15 15 ARG H H 8.075 0.030 1 77 15 15 ARG HA H 3.906 0.030 1 78 15 15 ARG HB2 H 1.248 0.030 2 79 15 15 ARG HB3 H 0.401 0.030 2 80 15 15 ARG HD2 H 2.255 0.030 2 81 15 15 ARG HD3 H 2.534 0.030 2 82 15 15 ARG HE H 7.125 0.030 1 83 15 15 ARG HG2 H 1.000 0.030 2 84 15 15 ARG HG3 H 0.802 0.030 2 85 15 15 ARG C C 175.688 0.300 1 86 15 15 ARG CA C 55.502 0.300 1 87 15 15 ARG CB C 30.214 0.300 1 88 15 15 ARG CD C 43.331 0.300 1 89 15 15 ARG CG C 26.924 0.300 1 90 15 15 ARG N N 123.857 0.300 1 91 15 15 ARG NE N 83.525 0.300 1 92 16 16 ASN H H 9.302 0.030 1 93 16 16 ASN HA H 4.995 0.030 1 94 16 16 ASN HB2 H 2.945 0.030 2 95 16 16 ASN HB3 H 3.110 0.030 2 96 16 16 ASN HD21 H 7.162 0.030 2 97 16 16 ASN HD22 H 8.106 0.030 2 98 16 16 ASN C C 175.582 0.300 1 99 16 16 ASN CA C 49.796 0.300 1 100 16 16 ASN CB C 38.809 0.300 1 101 16 16 ASN N N 127.362 0.300 1 102 16 16 ASN ND2 N 112.975 0.300 1 103 17 17 PRO HA H 4.195 0.030 1 104 17 17 PRO HB2 H 2.275 0.030 2 105 17 17 PRO HB3 H 1.936 0.030 2 106 17 17 PRO HD2 H 3.994 0.030 1 107 17 17 PRO HD3 H 3.994 0.030 1 108 17 17 PRO HG2 H 1.929 0.030 2 109 17 17 PRO HG3 H 2.011 0.030 2 110 17 17 PRO C C 176.658 0.300 1 111 17 17 PRO CA C 64.265 0.300 1 112 17 17 PRO CB C 32.102 0.300 1 113 17 17 PRO CD C 51.315 0.300 1 114 17 17 PRO CG C 26.797 0.300 1 115 18 18 ASN H H 7.961 0.030 1 116 18 18 ASN HA H 4.712 0.030 1 117 18 18 ASN HB2 H 2.905 0.030 2 118 18 18 ASN HB3 H 2.615 0.030 2 119 18 18 ASN HD21 H 7.674 0.030 2 120 18 18 ASN HD22 H 7.006 0.030 2 121 18 18 ASN C C 174.946 0.300 1 122 18 18 ASN CA C 52.956 0.300 1 123 18 18 ASN CB C 39.268 0.300 1 124 18 18 ASN N N 114.360 0.300 1 125 18 18 ASN ND2 N 114.080 0.300 1 126 19 19 ALA H H 7.280 0.030 1 127 19 19 ALA HA H 4.627 0.030 1 128 19 19 ALA HB H 1.424 0.030 1 129 19 19 ALA C C 175.316 0.300 1 130 19 19 ALA CA C 50.179 0.300 1 131 19 19 ALA CB C 18.656 0.300 1 132 19 19 ALA N N 124.837 0.300 1 133 20 20 PRO HA H 4.383 0.030 1 134 20 20 PRO HB2 H 2.314 0.030 2 135 20 20 PRO HB3 H 1.795 0.030 2 136 20 20 PRO HD2 H 3.709 0.030 2 137 20 20 PRO HD3 H 3.905 0.030 2 138 20 20 PRO HG2 H 2.085 0.030 2 139 20 20 PRO HG3 H 2.049 0.030 2 140 20 20 PRO C C 177.399 0.300 1 141 20 20 PRO CA C 62.787 0.300 1 142 20 20 PRO CB C 32.149 0.300 1 143 20 20 PRO CD C 50.644 0.300 1 144 20 20 PRO CG C 27.528 0.300 1 145 21 21 VAL H H 8.985 0.030 1 146 21 21 VAL HA H 4.184 0.030 1 147 21 21 VAL HB H 1.959 0.030 1 148 21 21 VAL HG1 H 0.775 0.030 1 149 21 21 VAL HG2 H 0.915 0.030 1 150 21 21 VAL C C 176.241 0.300 1 151 21 21 VAL CA C 62.193 0.300 1 152 21 21 VAL CB C 33.069 0.300 1 153 21 21 VAL CG1 C 22.297 0.300 2 154 21 21 VAL CG2 C 22.156 0.300 2 155 21 21 VAL N N 126.202 0.300 1 156 22 22 VAL H H 8.818 0.030 1 157 22 22 VAL HA H 3.763 0.030 1 158 22 22 VAL HB H 1.755 0.030 1 159 22 22 VAL HG1 H 0.968 0.030 1 160 22 22 VAL HG2 H 1.050 0.030 1 161 22 22 VAL C C 176.191 0.300 1 162 22 22 VAL CA C 64.862 0.300 1 163 22 22 VAL CB C 33.047 0.300 1 164 22 22 VAL CG1 C 20.716 0.300 2 165 22 22 VAL CG2 C 21.787 0.300 2 166 22 22 VAL N N 129.381 0.300 1 167 23 23 ARG H H 7.040 0.030 1 168 23 23 ARG HA H 4.167 0.030 1 169 23 23 ARG HB2 H 0.664 0.030 2 170 23 23 ARG HB3 H 1.196 0.030 2 171 23 23 ARG HD2 H 2.202 0.030 2 172 23 23 ARG HD3 H 1.158 0.030 2 173 23 23 ARG HG2 H -0.116 0.030 2 174 23 23 ARG HG3 H 0.924 0.030 2 175 23 23 ARG C C 171.892 0.300 1 176 23 23 ARG CA C 55.556 0.300 1 177 23 23 ARG CB C 32.254 0.300 1 178 23 23 ARG CD C 42.695 0.300 1 179 23 23 ARG CG C 26.827 0.300 1 180 23 23 ARG N N 116.629 0.300 1 181 24 24 ARG H H 8.094 0.030 1 182 24 24 ARG HA H 5.586 0.030 1 183 24 24 ARG HB2 H 1.548 0.030 2 184 24 24 ARG HB3 H 1.793 0.030 2 185 24 24 ARG HD2 H 3.354 0.030 2 186 24 24 ARG HD3 H 3.485 0.030 2 187 24 24 ARG HG2 H 1.587 0.030 1 188 24 24 ARG HG3 H 1.587 0.030 1 189 24 24 ARG C C 174.286 0.300 1 190 24 24 ARG CA C 52.992 0.300 1 191 24 24 ARG CB C 34.075 0.300 1 192 24 24 ARG CD C 44.463 0.300 1 193 24 24 ARG CG C 25.577 0.300 1 194 24 24 ARG N N 121.168 0.300 1 195 25 25 GLY H H 8.162 0.030 1 196 25 25 GLY HA2 H 2.493 0.030 2 197 25 25 GLY HA3 H 4.033 0.030 2 198 25 25 GLY C C 171.362 0.300 1 199 25 25 GLY CA C 44.561 0.300 1 200 25 25 GLY N N 108.975 0.300 1 201 26 26 TRP H H 8.318 0.030 1 202 26 26 TRP HA H 5.381 0.030 1 203 26 26 TRP HB2 H 3.293 0.030 2 204 26 26 TRP HB3 H 2.995 0.030 2 205 26 26 TRP HD1 H 7.702 0.030 1 206 26 26 TRP HE1 H 10.522 0.030 1 207 26 26 TRP HE3 H 7.616 0.030 1 208 26 26 TRP HH2 H 7.414 0.030 1 209 26 26 TRP HZ2 H 7.706 0.030 1 210 26 26 TRP HZ3 H 7.172 0.030 1 211 26 26 TRP C C 177.288 0.300 1 212 26 26 TRP CA C 57.100 0.300 1 213 26 26 TRP CB C 31.257 0.300 1 214 26 26 TRP CD1 C 128.915 0.300 1 215 26 26 TRP CE3 C 120.804 0.300 1 216 26 26 TRP CH2 C 124.418 0.300 1 217 26 26 TRP CZ2 C 115.837 0.300 1 218 26 26 TRP CZ3 C 121.950 0.300 1 219 26 26 TRP N N 120.091 0.300 1 220 26 26 TRP NE1 N 130.293 0.300 1 221 27 27 LEU H H 9.395 0.030 1 222 27 27 LEU HA H 4.354 0.030 1 223 27 27 LEU HB2 H 0.495 0.030 2 224 27 27 LEU HB3 H 1.063 0.030 2 225 27 27 LEU HD1 H -0.169 0.030 1 226 27 27 LEU HD2 H -1.483 0.030 1 227 27 27 LEU HG H 0.745 0.030 1 228 27 27 LEU C C 174.807 0.300 1 229 27 27 LEU CA C 55.643 0.300 1 230 27 27 LEU CB C 44.444 0.300 1 231 27 27 LEU CD1 C 23.775 0.300 2 232 27 27 LEU CD2 C 23.782 0.300 2 233 27 27 LEU CG C 25.744 0.300 1 234 27 27 LEU N N 124.339 0.300 1 235 28 28 TYR H H 8.656 0.030 1 236 28 28 TYR HA H 5.664 0.030 1 237 28 28 TYR HB2 H 2.645 0.030 2 238 28 28 TYR HB3 H 3.765 0.030 2 239 28 28 TYR HD1 H 7.006 0.030 1 240 28 28 TYR HD2 H 7.006 0.030 1 241 28 28 TYR HE1 H 6.777 0.030 1 242 28 28 TYR HE2 H 6.777 0.030 1 243 28 28 TYR C C 175.958 0.300 1 244 28 28 TYR CA C 56.995 0.300 1 245 28 28 TYR CB C 40.157 0.300 1 246 28 28 TYR CD1 C 133.732 0.300 1 247 28 28 TYR CD2 C 133.732 0.300 1 248 28 28 TYR CE1 C 117.912 0.300 1 249 28 28 TYR CE2 C 117.912 0.300 1 250 28 28 TYR N N 121.481 0.300 1 251 29 29 LYS H H 9.094 0.030 1 252 29 29 LYS HA H 5.424 0.030 1 253 29 29 LYS HB2 H 1.620 0.030 2 254 29 29 LYS HB3 H 1.533 0.030 2 255 29 29 LYS HD2 H 1.155 0.030 2 256 29 29 LYS HD3 H 1.452 0.030 2 257 29 29 LYS HE2 H 2.747 0.030 2 258 29 29 LYS HE3 H 2.670 0.030 2 259 29 29 LYS HG2 H 1.449 0.030 1 260 29 29 LYS HG3 H 1.449 0.030 1 261 29 29 LYS C C 176.874 0.300 1 262 29 29 LYS CA C 53.905 0.300 1 263 29 29 LYS CB C 35.912 0.300 1 264 29 29 LYS CD C 29.127 0.300 1 265 29 29 LYS CE C 40.227 0.300 1 266 29 29 LYS CG C 23.060 0.300 1 267 29 29 LYS N N 120.184 0.300 1 268 30 30 GLN H H 8.304 0.030 1 269 30 30 GLN HA H 3.735 0.030 1 270 30 30 GLN HB2 H 1.364 0.030 2 271 30 30 GLN HB3 H -0.497 0.030 2 272 30 30 GLN HE21 H 6.116 0.030 1 273 30 30 GLN HE22 H 6.116 0.030 1 274 30 30 GLN HG2 H 1.894 0.030 2 275 30 30 GLN HG3 H 0.448 0.030 2 276 30 30 GLN C C 176.323 0.300 1 277 30 30 GLN CA C 56.205 0.300 1 278 30 30 GLN CB C 28.663 0.300 1 279 30 30 GLN CG C 34.186 0.300 1 280 30 30 GLN N N 133.957 0.300 1 281 30 30 GLN NE2 N 108.742 0.300 1 282 31 31 ASP H H 9.041 0.030 1 283 31 31 ASP HA H 4.593 0.030 1 284 31 31 ASP HB2 H 2.806 0.030 1 285 31 31 ASP HB3 H 2.806 0.030 1 286 31 31 ASP C C 176.769 0.300 1 287 31 31 ASP CA C 55.028 0.300 1 288 31 31 ASP CB C 41.225 0.300 1 289 31 31 ASP N N 130.473 0.300 1 290 32 32 SER HA H 4.324 0.030 1 291 32 32 SER HB2 H 3.904 0.030 1 292 32 32 SER HB3 H 3.904 0.030 1 293 32 32 SER C C 174.332 0.300 1 294 32 32 SER CA C 59.383 0.300 1 295 32 32 SER CB C 63.911 0.300 1 296 33 33 THR H H 7.438 0.030 1 297 33 33 THR HA H 4.614 0.030 1 298 33 33 THR HB H 4.307 0.030 1 299 33 33 THR HG2 H 1.138 0.030 1 300 33 33 THR C C 174.928 0.300 1 301 33 33 THR CA C 59.699 0.300 1 302 33 33 THR CB C 71.555 0.300 1 303 33 33 THR CG2 C 21.411 0.300 1 304 33 33 THR N N 110.616 0.300 1 305 35 35 MET HA H 4.275 0.030 1 306 35 35 MET HB2 H 2.167 0.030 2 307 35 35 MET HB3 H 1.895 0.030 2 308 35 35 MET HE H 2.104 0.030 1 309 35 35 MET HG2 H 2.541 0.030 2 310 35 35 MET HG3 H 2.707 0.030 2 311 35 35 MET C C 175.205 0.300 1 312 35 35 MET CA C 55.871 0.300 1 313 35 35 MET CB C 32.102 0.300 1 314 35 35 MET CE C 16.796 0.300 1 315 35 35 MET CG C 32.513 0.300 1 316 36 36 LYS H H 8.144 0.030 1 317 36 36 LYS HA H 3.518 0.030 1 318 36 36 LYS HB2 H 1.426 0.030 1 319 36 36 LYS HB3 H 1.426 0.030 1 320 36 36 LYS HD2 H 1.366 0.030 2 321 36 36 LYS HD3 H 1.785 0.030 2 322 36 36 LYS HE2 H 2.805 0.030 1 323 36 36 LYS HE3 H 2.805 0.030 1 324 36 36 LYS HG2 H 1.013 0.030 2 325 36 36 LYS HG3 H 0.785 0.030 2 326 36 36 LYS C C 175.054 0.300 1 327 36 36 LYS CA C 57.364 0.300 1 328 36 36 LYS CB C 29.431 0.300 1 329 36 36 LYS CD C 29.057 0.300 1 330 36 36 LYS CE C 42.080 0.300 1 331 36 36 LYS CG C 24.734 0.300 1 332 36 36 LYS N N 115.859 0.300 1 333 37 37 LEU H H 8.002 0.030 1 334 37 37 LEU HA H 4.247 0.030 1 335 37 37 LEU HB2 H 1.647 0.030 2 336 37 37 LEU HB3 H 1.525 0.030 2 337 37 37 LEU HD1 H 0.961 0.030 1 338 37 37 LEU HD2 H 0.908 0.030 1 339 37 37 LEU HG H 1.615 0.030 1 340 37 37 LEU C C 177.142 0.300 1 341 37 37 LEU CA C 54.712 0.300 1 342 37 37 LEU CB C 42.417 0.300 1 343 37 37 LEU CD1 C 25.609 0.300 2 344 37 37 LEU CD2 C 22.257 0.300 2 345 37 37 LEU CG C 27.047 0.300 1 346 37 37 LEU N N 117.501 0.300 1 347 38 38 TRP H H 8.744 0.030 1 348 38 38 TRP HA H 4.504 0.030 1 349 38 38 TRP HB2 H 3.092 0.030 2 350 38 38 TRP HB3 H 2.848 0.030 2 351 38 38 TRP HD1 H 7.381 0.030 1 352 38 38 TRP HE1 H 10.329 0.030 1 353 38 38 TRP HE3 H 7.074 0.030 1 354 38 38 TRP HH2 H 6.666 0.030 1 355 38 38 TRP HZ2 H 7.098 0.030 1 356 38 38 TRP HZ3 H 6.604 0.030 1 357 38 38 TRP C C 176.662 0.300 1 358 38 38 TRP CA C 57.188 0.300 1 359 38 38 TRP CB C 29.554 0.300 1 360 38 38 TRP CD1 C 128.051 0.300 1 361 38 38 TRP CE3 C 119.848 0.300 1 362 38 38 TRP CH2 C 122.620 0.300 1 363 38 38 TRP CZ2 C 114.144 0.300 1 364 38 38 TRP CZ3 C 122.257 0.300 1 365 38 38 TRP N N 120.400 0.300 1 366 38 38 TRP NE1 N 130.248 0.300 1 367 39 39 LYS H H 8.296 0.030 1 368 39 39 LYS HA H 4.826 0.030 1 369 39 39 LYS HB2 H 1.977 0.030 2 370 39 39 LYS HB3 H 1.579 0.030 2 371 39 39 LYS HD2 H 1.781 0.030 2 372 39 39 LYS HD3 H 1.705 0.030 2 373 39 39 LYS HE2 H 2.965 0.030 2 374 39 39 LYS HE3 H 3.065 0.030 2 375 39 39 LYS HG2 H 1.334 0.030 2 376 39 39 LYS HG3 H 1.579 0.030 2 377 39 39 LYS C C 174.804 0.300 1 378 39 39 LYS CA C 53.975 0.300 1 379 39 39 LYS CB C 34.922 0.300 1 380 39 39 LYS CD C 28.810 0.300 1 381 39 39 LYS CE C 42.457 0.300 1 382 39 39 LYS CG C 24.817 0.300 1 383 39 39 LYS N N 122.957 0.300 1 384 40 40 LYS H H 9.055 0.030 1 385 40 40 LYS HA H 4.067 0.030 1 386 40 40 LYS HB2 H 1.245 0.030 2 387 40 40 LYS HB3 H 1.743 0.030 2 388 40 40 LYS HD2 H 1.077 0.030 2 389 40 40 LYS HD3 H 1.176 0.030 2 390 40 40 LYS HE2 H 2.013 0.030 2 391 40 40 LYS HE3 H 2.162 0.030 2 392 40 40 LYS HG2 H 1.126 0.030 2 393 40 40 LYS HG3 H 0.256 0.030 2 394 40 40 LYS C C 175.826 0.300 1 395 40 40 LYS CA C 57.215 0.300 1 396 40 40 LYS CB C 32.816 0.300 1 397 40 40 LYS CD C 29.398 0.300 1 398 40 40 LYS CE C 41.126 0.300 1 399 40 40 LYS CG C 25.777 0.300 1 400 40 40 LYS N N 127.323 0.300 1 401 41 41 ARG H H 8.999 0.030 1 402 41 41 ARG HA H 5.134 0.030 1 403 41 41 ARG HB2 H 2.115 0.030 2 404 41 41 ARG HB3 H 2.194 0.030 2 405 41 41 ARG HD2 H 3.665 0.030 2 406 41 41 ARG HD3 H 2.966 0.030 2 407 41 41 ARG HG2 H 1.615 0.030 2 408 41 41 ARG HG3 H 1.822 0.030 2 409 41 41 ARG C C 172.979 0.300 1 410 41 41 ARG CA C 52.956 0.300 1 411 41 41 ARG CB C 34.157 0.300 1 412 41 41 ARG CD C 43.731 0.300 1 413 41 41 ARG CG C 25.684 0.300 1 414 41 41 ARG N N 127.185 0.300 1 415 42 42 TRP H H 8.429 0.030 1 416 42 42 TRP HA H 4.526 0.030 1 417 42 42 TRP HB2 H 2.683 0.030 2 418 42 42 TRP HB3 H 1.859 0.030 2 419 42 42 TRP HD1 H 6.463 0.030 1 420 42 42 TRP HE1 H 10.794 0.030 1 421 42 42 TRP HE3 H 4.984 0.030 1 422 42 42 TRP HH2 H 6.985 0.030 1 423 42 42 TRP HZ2 H 7.045 0.030 1 424 42 42 TRP HZ3 H 6.331 0.030 1 425 42 42 TRP C C 174.929 0.300 1 426 42 42 TRP CA C 56.310 0.300 1 427 42 42 TRP CB C 29.348 0.300 1 428 42 42 TRP CD1 C 127.022 0.300 1 429 42 42 TRP CE3 C 119.860 0.300 1 430 42 42 TRP CH2 C 123.948 0.300 1 431 42 42 TRP CZ2 C 113.615 0.300 1 432 42 42 TRP CZ3 C 121.691 0.300 1 433 42 42 TRP N N 123.746 0.300 1 434 42 42 TRP NE1 N 129.480 0.300 1 435 43 43 PHE H H 8.837 0.030 1 436 43 43 PHE HA H 5.253 0.030 1 437 43 43 PHE HB2 H 2.655 0.030 2 438 43 43 PHE HB3 H 2.253 0.030 2 439 43 43 PHE HD1 H 7.008 0.030 1 440 43 43 PHE HD2 H 7.008 0.030 1 441 43 43 PHE HE1 H 6.755 0.030 1 442 43 43 PHE HE2 H 6.755 0.030 1 443 43 43 PHE HZ H 6.294 0.030 1 444 43 43 PHE C C 174.838 0.300 1 445 43 43 PHE CA C 56.679 0.300 1 446 43 43 PHE CB C 44.303 0.300 1 447 43 43 PHE CD1 C 132.578 0.300 1 448 43 43 PHE CD2 C 132.578 0.300 1 449 43 43 PHE CE1 C 130.727 0.300 1 450 43 43 PHE CE2 C 130.727 0.300 1 451 43 43 PHE CZ C 128.135 0.300 1 452 43 43 PHE N N 128.815 0.300 1 453 44 44 VAL H H 9.328 0.030 1 454 44 44 VAL HA H 4.556 0.030 1 455 44 44 VAL HB H 2.255 0.030 1 456 44 44 VAL HG1 H 0.993 0.030 1 457 44 44 VAL HG2 H 1.048 0.030 1 458 44 44 VAL C C 174.221 0.300 1 459 44 44 VAL CA C 61.561 0.300 1 460 44 44 VAL CB C 36.910 0.300 1 461 44 44 VAL CG1 C 21.746 0.300 2 462 44 44 VAL CG2 C 21.746 0.300 2 463 44 44 VAL N N 118.505 0.300 1 464 45 45 LEU H H 9.000 0.030 1 465 45 45 LEU HA H 5.795 0.030 1 466 45 45 LEU HB2 H 1.945 0.030 2 467 45 45 LEU HB3 H 1.455 0.030 2 468 45 45 LEU HD1 H 0.740 0.030 1 469 45 45 LEU HD2 H 0.686 0.030 1 470 45 45 LEU HG H 1.556 0.030 1 471 45 45 LEU C C 175.533 0.300 1 472 45 45 LEU CA C 53.642 0.300 1 473 45 45 LEU CB C 44.389 0.300 1 474 45 45 LEU CD1 C 25.757 0.300 2 475 45 45 LEU CD2 C 24.908 0.300 2 476 45 45 LEU CG C 28.682 0.300 1 477 45 45 LEU N N 129.392 0.300 1 478 46 46 SER H H 9.364 0.030 1 479 46 46 SER HA H 4.565 0.030 1 480 46 46 SER HB2 H 3.863 0.030 2 481 46 46 SER HB3 H 3.617 0.030 2 482 46 46 SER C C 173.475 0.300 1 483 46 46 SER CA C 57.171 0.300 1 484 46 46 SER CB C 65.237 0.300 1 485 46 46 SER N N 121.677 0.300 1 486 47 47 ASP H H 9.633 0.030 1 487 47 47 ASP HA H 4.365 0.030 1 488 47 47 ASP HB2 H 3.335 0.030 2 489 47 47 ASP HB3 H 2.544 0.030 2 490 47 47 ASP CA C 55.666 0.300 1 491 47 47 ASP CB C 40.049 0.300 1 492 47 47 ASP N N 129.034 0.300 1 493 48 48 LEU H H 8.935 0.030 1 494 48 48 LEU HA H 3.685 0.030 1 495 48 48 LEU HB2 H 2.265 0.030 2 496 48 48 LEU HB3 H 1.644 0.030 2 497 48 48 LEU HD1 H 0.985 0.030 1 498 48 48 LEU HD2 H 1.037 0.030 1 499 48 48 LEU HG H 1.515 0.030 1 500 48 48 LEU C C 173.743 0.300 1 501 48 48 LEU CA C 56.433 0.300 1 502 48 48 LEU CB C 39.417 0.300 1 503 48 48 LEU CD1 C 26.117 0.300 2 504 48 48 LEU CD2 C 22.802 0.300 2 505 48 48 LEU CG C 26.927 0.300 1 506 49 49 CYS H H 7.955 0.030 1 507 49 49 CYS HA H 4.965 0.030 1 508 49 49 CYS HB2 H 2.495 0.030 1 509 49 49 CYS HB3 H 2.495 0.030 1 510 49 49 CYS C C 172.558 0.300 1 511 49 49 CYS CA C 56.557 0.300 1 512 49 49 CYS CB C 30.629 0.300 1 513 49 49 CYS N N 118.372 0.300 1 514 50 50 LEU H H 8.691 0.030 1 515 50 50 LEU HA H 5.115 0.030 1 516 50 50 LEU HB2 H 1.725 0.030 2 517 50 50 LEU HB3 H 1.482 0.030 2 518 50 50 LEU HD1 H 0.665 0.030 1 519 50 50 LEU HD2 H 0.727 0.030 1 520 50 50 LEU HG H 1.635 0.030 1 521 50 50 LEU C C 175.260 0.300 1 522 50 50 LEU CA C 52.728 0.300 1 523 50 50 LEU CB C 43.535 0.300 1 524 50 50 LEU CD1 C 25.609 0.300 2 525 50 50 LEU CD2 C 24.390 0.300 2 526 50 50 LEU CG C 25.777 0.300 1 527 50 50 LEU N N 123.879 0.300 1 528 51 51 PHE H H 9.570 0.030 1 529 51 51 PHE HA H 4.801 0.030 1 530 51 51 PHE HB2 H 2.763 0.030 2 531 51 51 PHE HB3 H 2.957 0.030 2 532 51 51 PHE HD1 H 7.131 0.030 1 533 51 51 PHE HD2 H 7.131 0.030 1 534 51 51 PHE HE1 H 7.404 0.030 1 535 51 51 PHE HE2 H 7.404 0.030 1 536 51 51 PHE HZ H 7.274 0.030 1 537 51 51 PHE C C 174.745 0.300 1 538 51 51 PHE CA C 57.013 0.300 1 539 51 51 PHE CB C 42.129 0.300 1 540 51 51 PHE CD1 C 131.908 0.300 1 541 51 51 PHE CD2 C 131.908 0.300 1 542 51 51 PHE CE1 C 131.802 0.300 1 543 51 51 PHE CE2 C 131.802 0.300 1 544 51 51 PHE CZ C 130.304 0.300 1 545 51 51 PHE N N 123.686 0.300 1 546 52 52 TYR H H 7.515 0.030 1 547 52 52 TYR HA H 5.720 0.030 1 548 52 52 TYR HB2 H 1.702 0.030 2 549 52 52 TYR HB3 H 0.888 0.030 2 550 52 52 TYR HD1 H 6.236 0.030 1 551 52 52 TYR HD2 H 6.236 0.030 1 552 52 52 TYR HE1 H 6.435 0.030 1 553 52 52 TYR HE2 H 6.435 0.030 1 554 52 52 TYR C C 173.363 0.300 1 555 52 52 TYR CA C 54.308 0.300 1 556 52 52 TYR CB C 38.677 0.300 1 557 52 52 TYR CD1 C 134.042 0.300 1 558 52 52 TYR CD2 C 134.042 0.300 1 559 52 52 TYR CE1 C 116.930 0.300 1 560 52 52 TYR CE2 C 116.930 0.300 1 561 52 52 TYR N N 114.933 0.300 1 562 53 53 TYR H H 9.138 0.030 1 563 53 53 TYR HA H 4.817 0.030 1 564 53 53 TYR HB2 H 3.086 0.030 2 565 53 53 TYR HB3 H 3.579 0.030 2 566 53 53 TYR HD1 H 6.893 0.030 1 567 53 53 TYR HD2 H 6.893 0.030 1 568 53 53 TYR HE1 H 6.464 0.030 1 569 53 53 TYR HE2 H 6.464 0.030 1 570 53 53 TYR C C 175.871 0.300 1 571 53 53 TYR CA C 56.802 0.300 1 572 53 53 TYR CB C 43.875 0.300 1 573 53 53 TYR CE1 C 117.851 0.300 1 574 53 53 TYR CE2 C 117.851 0.300 1 575 53 53 TYR N N 117.727 0.300 1 576 54 54 ARG H H 10.025 0.030 1 577 54 54 ARG HA H 4.261 0.030 1 578 54 54 ARG HB2 H 1.973 0.030 1 579 54 54 ARG HB3 H 1.973 0.030 1 580 54 54 ARG HD2 H 3.362 0.030 1 581 54 54 ARG HD3 H 3.362 0.030 1 582 54 54 ARG HG2 H 1.805 0.030 2 583 54 54 ARG HG3 H 1.906 0.030 2 584 54 54 ARG C C 176.779 0.300 1 585 54 54 ARG CA C 59.401 0.300 1 586 54 54 ARG CB C 31.237 0.300 1 587 54 54 ARG CD C 43.442 0.300 1 588 54 54 ARG CG C 28.567 0.300 1 589 54 54 ARG N N 120.824 0.300 1 590 55 55 ASP H H 7.737 0.030 1 591 55 55 ASP HA H 4.713 0.030 1 592 55 55 ASP HB2 H 3.177 0.030 2 593 55 55 ASP HB3 H 3.115 0.030 2 594 55 55 ASP C C 173.582 0.300 1 595 55 55 ASP CA C 53.272 0.300 1 596 55 55 ASP CB C 41.450 0.300 1 597 55 55 ASP N N 111.375 0.300 1 598 56 56 GLU H H 8.715 0.030 1 599 56 56 GLU HA H 1.393 0.030 1 600 56 56 GLU HB2 H 0.682 0.030 2 601 56 56 GLU HB3 H 0.385 0.030 2 602 56 56 GLU HG2 H 1.174 0.030 2 603 56 56 GLU HG3 H 1.356 0.030 2 604 56 56 GLU C C 176.657 0.300 1 605 56 56 GLU CA C 56.574 0.300 1 606 56 56 GLU CB C 26.791 0.300 1 607 56 56 GLU CG C 35.186 0.300 1 608 56 56 GLU N N 114.264 0.300 1 609 57 57 LYS H H 8.082 0.030 1 610 57 57 LYS HA H 3.736 0.030 1 611 57 57 LYS HB2 H 1.615 0.030 2 612 57 57 LYS HB3 H 1.801 0.030 2 613 57 57 LYS HD2 H 1.561 0.030 1 614 57 57 LYS HD3 H 1.561 0.030 1 615 57 57 LYS HE2 H 2.900 0.030 1 616 57 57 LYS HE3 H 2.900 0.030 1 617 57 57 LYS HG2 H 1.325 0.030 2 618 57 57 LYS HG3 H 1.215 0.030 2 619 57 57 LYS C C 176.775 0.300 1 620 57 57 LYS CA C 57.557 0.300 1 621 57 57 LYS CB C 30.905 0.300 1 622 57 57 LYS CD C 28.650 0.300 1 623 57 57 LYS CE C 42.047 0.300 1 624 57 57 LYS CG C 25.405 0.300 1 625 57 57 LYS N N 120.712 0.300 1 626 58 58 GLU H H 7.475 0.030 1 627 58 58 GLU HA H 2.315 0.030 1 628 58 58 GLU HB2 H 1.605 0.030 2 629 58 58 GLU HB3 H 1.014 0.030 2 630 58 58 GLU HG2 H 1.744 0.030 2 631 58 58 GLU HG3 H 1.234 0.030 2 632 58 58 GLU C C 174.437 0.300 1 633 58 58 GLU CA C 56.709 0.300 1 634 58 58 GLU CB C 25.938 0.300 1 635 58 58 GLU CG C 36.869 0.300 1 636 58 58 GLU N N 112.058 0.300 1 637 59 59 GLU H H 8.426 0.030 1 638 59 59 GLU HA H 4.477 0.030 1 639 59 59 GLU HB2 H 1.918 0.030 2 640 59 59 GLU HB3 H 1.733 0.030 2 641 59 59 GLU HG2 H 2.103 0.030 2 642 59 59 GLU HG3 H 2.075 0.030 2 643 59 59 GLU C C 175.873 0.300 1 644 59 59 GLU CA C 55.485 0.300 1 645 59 59 GLU CB C 30.787 0.300 1 646 59 59 GLU CG C 36.129 0.300 1 647 59 59 GLU N N 119.694 0.300 1 648 60 60 GLY H H 8.542 0.030 1 649 60 60 GLY HA2 H 4.112 0.030 2 650 60 60 GLY HA3 H 3.814 0.030 2 651 60 60 GLY C C 173.221 0.300 1 652 60 60 GLY CA C 45.704 0.300 1 653 60 60 GLY N N 112.541 0.300 1 654 61 61 ILE H H 8.519 0.030 1 655 61 61 ILE HA H 3.177 0.030 1 656 61 61 ILE HB H 1.620 0.030 1 657 61 61 ILE HD1 H 0.844 0.030 1 658 61 61 ILE HG12 H 1.494 0.030 2 659 61 61 ILE HG13 H 0.695 0.030 2 660 61 61 ILE HG2 H 0.693 0.030 1 661 61 61 ILE C C 176.750 0.300 1 662 61 61 ILE CA C 62.614 0.300 1 663 61 61 ILE CB C 38.841 0.300 1 664 61 61 ILE CD1 C 14.813 0.300 1 665 61 61 ILE CG1 C 29.580 0.300 1 666 61 61 ILE CG2 C 18.063 0.300 1 667 61 61 ILE N N 126.211 0.300 1 668 62 62 LEU H H 8.806 0.030 1 669 62 62 LEU HA H 4.217 0.030 1 670 62 62 LEU HB2 H 1.268 0.030 2 671 62 62 LEU HB3 H 1.309 0.030 2 672 62 62 LEU HD1 H 0.850 0.030 1 673 62 62 LEU HD2 H 0.870 0.030 1 674 62 62 LEU HG H 1.725 0.030 1 675 62 62 LEU C C 177.067 0.300 1 676 62 62 LEU CA C 55.063 0.300 1 677 62 62 LEU CB C 42.629 0.300 1 678 62 62 LEU CD1 C 25.457 0.300 2 679 62 62 LEU CD2 C 22.126 0.300 2 680 62 62 LEU CG C 27.087 0.300 1 681 62 62 LEU N N 128.750 0.300 1 682 63 63 GLY H H 6.360 0.030 1 683 63 63 GLY HA2 H 3.724 0.030 2 684 63 63 GLY HA3 H 3.431 0.030 2 685 63 63 GLY C C 169.060 0.300 1 686 63 63 GLY CA C 44.774 0.300 1 687 63 63 GLY N N 105.622 0.300 1 688 64 64 SER H H 8.005 0.030 1 689 64 64 SER HA H 5.303 0.030 1 690 64 64 SER HB2 H 3.546 0.030 2 691 64 64 SER HB3 H 3.173 0.030 2 692 64 64 SER C C 173.715 0.300 1 693 64 64 SER CA C 55.906 0.300 1 694 64 64 SER CB C 66.636 0.300 1 695 64 64 SER N N 110.335 0.300 1 696 65 65 ILE H H 8.787 0.030 1 697 65 65 ILE HA H 4.029 0.030 1 698 65 65 ILE HB H 1.439 0.030 1 699 65 65 ILE HD1 H 0.181 0.030 1 700 65 65 ILE HG12 H 1.258 0.030 2 701 65 65 ILE HG13 H 0.554 0.030 2 702 65 65 ILE HG2 H 0.178 0.030 1 703 65 65 ILE C C 173.732 0.300 1 704 65 65 ILE CA C 60.876 0.300 1 705 65 65 ILE CB C 42.335 0.300 1 706 65 65 ILE CD1 C 13.772 0.300 1 707 65 65 ILE CG1 C 26.892 0.300 1 708 65 65 ILE CG2 C 17.354 0.300 1 709 65 65 ILE N N 122.267 0.300 1 710 66 66 LEU H H 8.496 0.030 1 711 66 66 LEU HA H 4.446 0.030 1 712 66 66 LEU HB2 H 1.907 0.030 2 713 66 66 LEU HB3 H 1.436 0.030 2 714 66 66 LEU HD1 H 0.926 0.030 1 715 66 66 LEU HD2 H 0.955 0.030 1 716 66 66 LEU HG H 1.645 0.030 1 717 66 66 LEU C C 176.526 0.300 1 718 66 66 LEU CA C 55.433 0.300 1 719 66 66 LEU CB C 42.129 0.300 1 720 66 66 LEU CD1 C 23.584 0.300 2 721 66 66 LEU CD2 C 25.827 0.300 2 722 66 66 LEU CG C 27.545 0.300 1 723 66 66 LEU N N 131.399 0.300 1 724 67 67 LEU H H 8.170 0.030 1 725 67 67 LEU HA H 4.236 0.030 1 726 67 67 LEU HB2 H 1.875 0.030 2 727 67 67 LEU HB3 H 1.155 0.030 2 728 67 67 LEU HD1 H 0.770 0.030 1 729 67 67 LEU HD2 H 0.413 0.030 1 730 67 67 LEU HG H 1.566 0.030 1 731 67 67 LEU CA C 58.339 0.300 1 732 67 67 LEU CB C 42.967 0.300 1 733 67 67 LEU CD1 C 26.897 0.300 2 734 67 67 LEU CD2 C 22.027 0.300 2 735 67 67 LEU CG C 26.897 0.300 1 736 67 67 LEU N N 128.374 0.300 1 737 68 68 PRO HA H 4.603 0.030 1 738 68 68 PRO HB2 H 1.844 0.030 2 739 68 68 PRO HB3 H 2.396 0.030 2 740 68 68 PRO HD2 H 4.265 0.030 2 741 68 68 PRO HD3 H 3.555 0.030 2 742 68 68 PRO HG2 H 2.195 0.030 1 743 68 68 PRO HG3 H 2.195 0.030 1 744 68 68 PRO C C 177.859 0.300 1 745 68 68 PRO CA C 66.757 0.300 1 746 68 68 PRO CB C 31.212 0.300 1 747 68 68 PRO CD C 50.152 0.300 1 748 68 68 PRO CG C 29.057 0.300 1 749 69 69 SER H H 9.134 0.030 1 750 69 69 SER HA H 4.195 0.030 1 751 69 69 SER HB2 H 3.915 0.030 2 752 69 69 SER HB3 H 4.344 0.030 2 753 69 69 SER C C 174.580 0.300 1 754 69 69 SER CA C 62.474 0.300 1 755 69 69 SER CB C 63.106 0.300 1 756 69 69 SER N N 116.979 0.300 1 757 70 70 PHE H H 8.946 0.030 1 758 70 70 PHE HA H 4.391 0.030 1 759 70 70 PHE HB2 H 3.651 0.030 2 760 70 70 PHE HB3 H 2.595 0.030 2 761 70 70 PHE HD1 H 7.293 0.030 1 762 70 70 PHE HD2 H 7.293 0.030 1 763 70 70 PHE HE1 H 7.493 0.030 1 764 70 70 PHE HE2 H 7.493 0.030 1 765 70 70 PHE HZ H 7.416 0.030 1 766 70 70 PHE C C 175.686 0.300 1 767 70 70 PHE CA C 60.665 0.300 1 768 70 70 PHE CB C 39.910 0.300 1 769 70 70 PHE CD1 C 131.556 0.300 1 770 70 70 PHE CD2 C 131.556 0.300 1 771 70 70 PHE CE1 C 132.226 0.300 1 772 70 70 PHE CE2 C 132.226 0.300 1 773 70 70 PHE CZ C 129.810 0.300 1 774 70 70 PHE N N 121.888 0.300 1 775 71 71 GLN H H 9.264 0.030 1 776 71 71 GLN HA H 4.651 0.030 1 777 71 71 GLN HB2 H 2.074 0.030 2 778 71 71 GLN HB3 H 2.106 0.030 2 779 71 71 GLN HE21 H 7.445 0.030 2 780 71 71 GLN HE22 H 6.769 0.030 2 781 71 71 GLN HG2 H 2.406 0.030 2 782 71 71 GLN HG3 H 2.247 0.030 2 783 71 71 GLN C C 175.407 0.300 1 784 71 71 GLN CA C 54.607 0.300 1 785 71 71 GLN CB C 29.759 0.300 1 786 71 71 GLN CG C 33.992 0.300 1 787 71 71 GLN N N 119.175 0.300 1 788 71 71 GLN NE2 N 111.786 0.300 1 789 72 72 ILE H H 8.494 0.030 1 790 72 72 ILE HA H 5.340 0.030 1 791 72 72 ILE HB H 2.157 0.030 1 792 72 72 ILE HD1 H 0.810 0.030 1 793 72 72 ILE HG12 H 1.136 0.030 2 794 72 72 ILE HG13 H 1.654 0.030 2 795 72 72 ILE HG2 H 0.997 0.030 1 796 72 72 ILE C C 175.835 0.300 1 797 72 72 ILE CA C 58.473 0.300 1 798 72 72 ILE CB C 35.841 0.300 1 799 72 72 ILE CD1 C 10.937 0.300 1 800 72 72 ILE CG1 C 26.433 0.300 1 801 72 72 ILE CG2 C 17.874 0.300 1 802 72 72 ILE N N 127.432 0.300 1 803 73 73 ALA H H 9.153 0.030 1 804 73 73 ALA HA H 4.846 0.030 1 805 73 73 ALA HB H 1.422 0.030 1 806 73 73 ALA C C 175.898 0.300 1 807 73 73 ALA CA C 51.376 0.300 1 808 73 73 ALA CB C 23.759 0.300 1 809 73 73 ALA N N 129.872 0.300 1 810 74 74 LEU H H 8.254 0.030 1 811 74 74 LEU HA H 4.575 0.030 1 812 74 74 LEU HB2 H 1.806 0.030 2 813 74 74 LEU HB3 H 1.722 0.030 2 814 74 74 LEU HD1 H 1.015 0.030 1 815 74 74 LEU HD2 H 1.024 0.030 1 816 74 74 LEU HG H 1.816 0.030 1 817 74 74 LEU C C 177.194 0.300 1 818 74 74 LEU CA C 54.694 0.300 1 819 74 74 LEU CB C 42.129 0.300 1 820 74 74 LEU CD1 C 25.503 0.300 2 821 74 74 LEU CD2 C 23.307 0.300 2 822 74 74 LEU CG C 27.087 0.300 1 823 74 74 LEU N N 119.009 0.300 1 824 75 75 LEU H H 8.296 0.030 1 825 75 75 LEU HA H 4.561 0.030 1 826 75 75 LEU HB2 H 1.906 0.030 2 827 75 75 LEU HB3 H 1.718 0.030 2 828 75 75 LEU HD1 H 0.986 0.030 1 829 75 75 LEU HD2 H 0.960 0.030 1 830 75 75 LEU HG H 1.814 0.030 1 831 75 75 LEU C C 178.035 0.300 1 832 75 75 LEU CA C 54.783 0.300 1 833 75 75 LEU CB C 41.629 0.300 1 834 75 75 LEU CD1 C 27.777 0.300 2 835 75 75 LEU CD2 C 22.704 0.300 2 836 75 75 LEU CG C 27.087 0.300 1 837 75 75 LEU N N 117.102 0.300 1 838 76 76 THR H H 9.306 0.030 1 839 76 76 THR HA H 4.801 0.030 1 840 76 76 THR HB H 4.607 0.030 1 841 76 76 THR HG2 H 1.226 0.030 1 842 76 76 THR C C 177.302 0.300 1 843 76 76 THR CA C 59.945 0.300 1 844 76 76 THR CB C 72.115 0.300 1 845 76 76 THR CG2 C 21.537 0.300 1 846 76 76 THR N N 112.280 0.300 1 847 77 77 SER HA H 4.165 0.030 1 848 77 77 SER HB2 H 3.923 0.030 1 849 77 77 SER HB3 H 3.923 0.030 1 850 77 77 SER C C 176.224 0.300 1 851 77 77 SER CA C 61.350 0.300 1 852 77 77 SER CB C 62.525 0.300 1 853 78 78 GLU H H 8.122 0.030 1 854 78 78 GLU HA H 3.925 0.030 1 855 78 78 GLU HB2 H 2.003 0.030 2 856 78 78 GLU HB3 H 1.783 0.030 2 857 78 78 GLU HG2 H 2.245 0.030 1 858 78 78 GLU HG3 H 2.245 0.030 1 859 78 78 GLU C C 176.388 0.300 1 860 78 78 GLU CA C 57.592 0.300 1 861 78 78 GLU CB C 29.272 0.300 1 862 78 78 GLU CG C 36.627 0.300 1 863 78 78 GLU N N 119.310 0.300 1 864 79 79 ASP H H 7.680 0.030 1 865 79 79 ASP HA H 4.524 0.030 1 866 79 79 ASP HB2 H 2.944 0.030 2 867 79 79 ASP HB3 H 2.576 0.030 2 868 79 79 ASP C C 175.287 0.300 1 869 79 79 ASP CA C 56.064 0.300 1 870 79 79 ASP CB C 42.967 0.300 1 871 79 79 ASP N N 117.188 0.300 1 872 80 80 HIS H H 7.726 0.030 1 873 80 80 HIS HA H 4.285 0.030 1 874 80 80 HIS HB2 H 3.219 0.030 2 875 80 80 HIS HB3 H 3.092 0.030 2 876 80 80 HIS HD2 H 7.036 0.030 1 877 80 80 HIS HE1 H 8.092 0.030 1 878 80 80 HIS C C 173.829 0.300 1 879 80 80 HIS CA C 56.468 0.300 1 880 80 80 HIS CB C 27.631 0.300 1 881 80 80 HIS CD2 C 120.121 0.300 1 882 80 80 HIS CE1 C 137.220 0.300 1 883 80 80 HIS N N 114.899 0.300 1 884 81 81 ILE H H 8.063 0.030 1 885 81 81 ILE HA H 4.229 0.030 1 886 81 81 ILE HB H 1.585 0.030 1 887 81 81 ILE HD1 H 0.238 0.030 1 888 81 81 ILE HG12 H 1.178 0.030 2 889 81 81 ILE HG13 H 0.918 0.030 2 890 81 81 ILE HG2 H 0.879 0.030 1 891 81 81 ILE C C 175.098 0.300 1 892 81 81 ILE CA C 59.524 0.300 1 893 81 81 ILE CB C 40.321 0.300 1 894 81 81 ILE CD1 C 12.253 0.300 1 895 81 81 ILE CG1 C 27.382 0.300 1 896 81 81 ILE CG2 C 18.516 0.300 1 897 81 81 ILE N N 120.378 0.300 1 898 82 82 ASN HA H 4.763 0.030 1 899 82 82 ASN HB2 H 2.725 0.030 2 900 82 82 ASN HB3 H 2.757 0.030 2 901 82 82 ASN HD21 H 6.827 0.030 2 902 82 82 ASN HD22 H 7.529 0.030 2 903 82 82 ASN C C 174.396 0.300 1 904 82 82 ASN CA C 52.254 0.300 1 905 82 82 ASN CB C 38.349 0.300 1 906 82 82 ASN ND2 N 112.256 0.300 1 907 83 83 ARG H H 6.996 0.030 1 908 83 83 ARG HA H 4.085 0.030 1 909 83 83 ARG HB2 H 1.290 0.030 2 910 83 83 ARG HB3 H 1.165 0.030 2 911 83 83 ARG HD2 H 2.347 0.030 2 912 83 83 ARG HD3 H 1.998 0.030 2 913 83 83 ARG HG2 H 0.836 0.030 1 914 83 83 ARG HG3 H 0.836 0.030 1 915 83 83 ARG C C 174.593 0.300 1 916 83 83 ARG CA C 54.879 0.300 1 917 83 83 ARG CB C 32.184 0.300 1 918 83 83 ARG CD C 42.149 0.300 1 919 83 83 ARG CG C 26.069 0.300 1 920 83 83 ARG N N 121.463 0.300 1 921 84 84 LYS H H 8.109 0.030 1 922 84 84 LYS HA H 3.766 0.030 1 923 84 84 LYS HB2 H 1.177 0.030 2 924 84 84 LYS HB3 H 0.760 0.030 2 925 84 84 LYS HD2 H 1.371 0.030 1 926 84 84 LYS HD3 H 1.371 0.030 1 927 84 84 LYS HE2 H 2.806 0.030 1 928 84 84 LYS HE3 H 2.806 0.030 1 929 84 84 LYS HG2 H 0.780 0.030 2 930 84 84 LYS HG3 H 1.018 0.030 2 931 84 84 LYS C C 176.016 0.300 1 932 84 84 LYS CA C 57.346 0.300 1 933 84 84 LYS CB C 32.965 0.300 1 934 84 84 LYS CD C 29.150 0.300 1 935 84 84 LYS CE C 41.987 0.300 1 936 84 84 LYS CG C 24.840 0.300 1 937 84 84 LYS N N 124.530 0.300 1 938 85 85 TYR H H 8.335 0.030 1 939 85 85 TYR HA H 4.704 0.030 1 940 85 85 TYR HB2 H 3.227 0.030 2 941 85 85 TYR HB3 H 3.173 0.030 2 942 85 85 TYR HD1 H 6.965 0.030 1 943 85 85 TYR HD2 H 6.965 0.030 1 944 85 85 TYR HE1 H 6.772 0.030 1 945 85 85 TYR HE2 H 6.772 0.030 1 946 85 85 TYR C C 173.960 0.300 1 947 85 85 TYR CA C 57.171 0.300 1 948 85 85 TYR CB C 34.722 0.300 1 949 85 85 TYR CD1 C 132.860 0.300 1 950 85 85 TYR CD2 C 132.860 0.300 1 951 85 85 TYR CE1 C 117.894 0.300 1 952 85 85 TYR CE2 C 117.894 0.300 1 953 85 85 TYR N N 116.808 0.300 1 954 86 86 ALA H H 7.117 0.030 1 955 86 86 ALA HA H 5.647 0.030 1 956 86 86 ALA HB H 1.259 0.030 1 957 86 86 ALA C C 176.450 0.300 1 958 86 86 ALA CA C 50.041 0.300 1 959 86 86 ALA CB C 23.348 0.300 1 960 86 86 ALA N N 117.646 0.300 1 961 87 87 PHE H H 9.171 0.030 1 962 87 87 PHE HA H 4.999 0.030 1 963 87 87 PHE HB2 H 3.443 0.030 2 964 87 87 PHE HB3 H 3.268 0.030 2 965 87 87 PHE HD1 H 7.119 0.030 1 966 87 87 PHE HD2 H 7.119 0.030 1 967 87 87 PHE HE1 H 7.045 0.030 1 968 87 87 PHE HE2 H 7.045 0.030 1 969 87 87 PHE HZ H 6.574 0.030 1 970 87 87 PHE C C 171.661 0.300 1 971 87 87 PHE CA C 56.644 0.300 1 972 87 87 PHE CB C 39.992 0.300 1 973 87 87 PHE CD1 C 133.442 0.300 1 974 87 87 PHE CD2 C 133.442 0.300 1 975 87 87 PHE CE1 C 130.339 0.300 1 976 87 87 PHE CE2 C 130.339 0.300 1 977 87 87 PHE CZ C 128.770 0.300 1 978 87 87 PHE N N 115.920 0.300 1 979 88 88 LYS H H 9.489 0.030 1 980 88 88 LYS HA H 5.710 0.030 1 981 88 88 LYS HB2 H 1.493 0.030 2 982 88 88 LYS HB3 H 1.435 0.030 2 983 88 88 LYS HD2 H 1.624 0.030 2 984 88 88 LYS HD3 H 1.518 0.030 2 985 88 88 LYS HE2 H 3.067 0.030 2 986 88 88 LYS HE3 H 2.845 0.030 2 987 88 88 LYS HG2 H 1.022 0.030 2 988 88 88 LYS HG3 H 1.132 0.030 2 989 88 88 LYS C C 173.644 0.300 1 990 88 88 LYS CA C 53.465 0.300 1 991 88 88 LYS CB C 37.885 0.300 1 992 88 88 LYS CD C 30.859 0.300 1 993 88 88 LYS CE C 42.417 0.300 1 994 88 88 LYS CG C 23.257 0.300 1 995 88 88 LYS N N 115.972 0.300 1 996 89 89 ALA H H 8.784 0.030 1 997 89 89 ALA HA H 5.595 0.030 1 998 89 89 ALA HB H 1.305 0.030 1 999 89 89 ALA C C 175.151 0.300 1 1000 89 89 ALA CA C 50.358 0.300 1 1001 89 89 ALA CB C 21.368 0.300 1 1002 89 89 ALA N N 122.041 0.300 1 1003 90 90 ALA H H 9.415 0.030 1 1004 90 90 ALA HA H 5.265 0.030 1 1005 90 90 ALA HB H 1.336 0.030 1 1006 90 90 ALA C C 175.546 0.300 1 1007 90 90 ALA CA C 50.674 0.300 1 1008 90 90 ALA CB C 23.370 0.300 1 1009 90 90 ALA N N 126.386 0.300 1 1010 91 91 HIS H H 8.487 0.030 1 1011 91 91 HIS HA H 4.453 0.030 1 1012 91 91 HIS HB2 H 1.822 0.030 2 1013 91 91 HIS HB3 H 2.405 0.030 2 1014 91 91 HIS HD2 H 6.474 0.030 1 1015 91 91 HIS HE1 H 7.722 0.030 1 1016 91 91 HIS C C 174.468 0.300 1 1017 91 91 HIS CA C 55.028 0.300 1 1018 91 91 HIS CB C 33.590 0.300 1 1019 91 91 HIS CD2 C 119.044 0.300 1 1020 91 91 HIS CE1 C 138.306 0.300 1 1021 91 91 HIS N N 124.884 0.300 1 1022 92 92 PRO HA H 4.233 0.030 1 1023 92 92 PRO HB2 H 2.235 0.030 2 1024 92 92 PRO HB3 H 1.781 0.030 2 1025 92 92 PRO HD2 H 3.326 0.030 2 1026 92 92 PRO HD3 H 2.144 0.030 2 1027 92 92 PRO HG2 H 1.774 0.030 2 1028 92 92 PRO HG3 H 1.702 0.030 2 1029 92 92 PRO CA C 64.848 0.300 1 1030 92 92 PRO CB C 32.149 0.300 1 1031 92 92 PRO CD C 50.745 0.300 1 1032 92 92 PRO CG C 27.276 0.300 1 1033 93 93 ASN H H 11.022 0.030 1 1034 93 93 ASN HA H 4.801 0.030 1 1035 93 93 ASN HB2 H 2.989 0.030 2 1036 93 93 ASN HB3 H 2.816 0.030 2 1037 93 93 ASN HD21 H 7.455 0.030 2 1038 93 93 ASN HD22 H 6.645 0.030 2 1039 93 93 ASN C C 175.305 0.300 1 1040 93 93 ASN CA C 53.237 0.300 1 1041 93 93 ASN CB C 39.229 0.300 1 1042 93 93 ASN ND2 N 110.316 0.300 1 1043 94 94 MET H H 8.126 0.030 1 1044 94 94 MET HA H 4.536 0.030 1 1045 94 94 MET HB2 H 2.184 0.030 2 1046 94 94 MET HB3 H 1.953 0.030 2 1047 94 94 MET HE H 1.860 0.030 1 1048 94 94 MET HG2 H 2.306 0.030 2 1049 94 94 MET HG3 H 2.257 0.030 2 1050 94 94 MET C C 175.121 0.300 1 1051 94 94 MET CA C 55.853 0.300 1 1052 94 94 MET CB C 33.363 0.300 1 1053 94 94 MET CE C 16.987 0.300 1 1054 94 94 MET CG C 32.266 0.300 1 1055 94 94 MET N N 116.880 0.300 1 1056 95 95 ARG H H 7.946 0.030 1 1057 95 95 ARG HA H 4.256 0.030 1 1058 95 95 ARG HB2 H 1.715 0.030 2 1059 95 95 ARG HB3 H 1.683 0.030 2 1060 95 95 ARG HD2 H 3.078 0.030 1 1061 95 95 ARG HD3 H 3.078 0.030 1 1062 95 95 ARG HG2 H 1.484 0.030 2 1063 95 95 ARG HG3 H 1.334 0.030 2 1064 95 95 ARG C C 174.394 0.300 1 1065 95 95 ARG CA C 56.398 0.300 1 1066 95 95 ARG CB C 30.581 0.300 1 1067 95 95 ARG CD C 43.240 0.300 1 1068 95 95 ARG CG C 26.461 0.300 1 1069 95 95 ARG N N 120.738 0.300 1 1070 96 96 THR H H 7.970 0.030 1 1071 96 96 THR HA H 4.832 0.030 1 1072 96 96 THR HB H 3.645 0.030 1 1073 96 96 THR HG2 H 0.533 0.030 1 1074 96 96 THR C C 173.141 0.300 1 1075 96 96 THR CA C 62.281 0.300 1 1076 96 96 THR CB C 70.514 0.300 1 1077 96 96 THR CG2 C 22.485 0.300 1 1078 96 96 THR N N 117.923 0.300 1 1079 97 97 TYR H H 8.847 0.030 1 1080 97 97 TYR HA H 4.361 0.030 1 1081 97 97 TYR HB2 H 2.407 0.030 2 1082 97 97 TYR HB3 H 2.060 0.030 2 1083 97 97 TYR HD1 H 6.924 0.030 1 1084 97 97 TYR HD2 H 6.924 0.030 1 1085 97 97 TYR HE1 H 6.835 0.030 1 1086 97 97 TYR HE2 H 6.835 0.030 1 1087 97 97 TYR C C 173.038 0.300 1 1088 97 97 TYR CA C 56.538 0.300 1 1089 97 97 TYR CB C 42.212 0.300 1 1090 97 97 TYR CD1 C 132.966 0.300 1 1091 97 97 TYR CD2 C 132.966 0.300 1 1092 97 97 TYR CE1 C 118.270 0.300 1 1093 97 97 TYR CE2 C 118.270 0.300 1 1094 97 97 TYR N N 125.790 0.300 1 1095 98 98 TYR H H 8.613 0.030 1 1096 98 98 TYR HA H 4.775 0.030 1 1097 98 98 TYR HB2 H 2.692 0.030 2 1098 98 98 TYR HB3 H 2.260 0.030 2 1099 98 98 TYR HD1 H 6.833 0.030 1 1100 98 98 TYR HD2 H 6.833 0.030 1 1101 98 98 TYR HE1 H 6.542 0.030 1 1102 98 98 TYR HE2 H 6.542 0.030 1 1103 98 98 TYR C C 173.698 0.300 1 1104 98 98 TYR CA C 57.241 0.300 1 1105 98 98 TYR CB C 41.105 0.300 1 1106 98 98 TYR CD1 C 133.354 0.300 1 1107 98 98 TYR CD2 C 133.354 0.300 1 1108 98 98 TYR CE1 C 117.106 0.300 1 1109 98 98 TYR CE2 C 117.106 0.300 1 1110 98 98 TYR N N 119.648 0.300 1 1111 99 99 PHE H H 8.634 0.030 1 1112 99 99 PHE HA H 5.973 0.030 1 1113 99 99 PHE HB2 H 2.425 0.030 2 1114 99 99 PHE HB3 H 0.835 0.030 2 1115 99 99 PHE HD1 H 6.496 0.030 1 1116 99 99 PHE HD2 H 6.496 0.030 1 1117 99 99 PHE HE1 H 6.583 0.030 1 1118 99 99 PHE HE2 H 6.583 0.030 1 1119 99 99 PHE HZ H 6.294 0.030 1 1120 99 99 PHE C C 175.378 0.300 1 1121 99 99 PHE CA C 55.117 0.300 1 1122 99 99 PHE CB C 43.757 0.300 1 1123 99 99 PHE CD1 C 132.067 0.300 1 1124 99 99 PHE CD2 C 132.067 0.300 1 1125 99 99 PHE CE1 C 129.281 0.300 1 1126 99 99 PHE CE2 C 129.281 0.300 1 1127 99 99 PHE CZ C 127.306 0.300 1 1128 99 99 PHE N N 119.250 0.300 1 1129 100 100 CYS H H 8.612 0.030 1 1130 100 100 CYS HA H 5.545 0.030 1 1131 100 100 CYS HB2 H 2.795 0.030 2 1132 100 100 CYS HB3 H 2.294 0.030 2 1133 100 100 CYS C C 172.160 0.300 1 1134 100 100 CYS CA C 57.960 0.300 1 1135 100 100 CYS CB C 30.417 0.300 1 1136 100 100 CYS N N 112.031 0.300 1 1137 101 101 THR H H 7.745 0.030 1 1138 101 101 THR HA H 5.262 0.030 1 1139 101 101 THR HB H 4.802 0.030 1 1140 101 101 THR HG2 H 1.258 0.030 1 1141 101 101 THR C C 174.449 0.300 1 1142 101 101 THR CA C 59.945 0.300 1 1143 101 101 THR CB C 70.692 0.300 1 1144 101 101 THR CG2 C 23.225 0.300 1 1145 101 101 THR N N 108.077 0.300 1 1146 102 102 ASP H H 8.989 0.030 1 1147 102 102 ASP HA H 4.925 0.030 1 1148 102 102 ASP HB2 H 2.855 0.030 2 1149 102 102 ASP HB3 H 2.985 0.030 2 1150 102 102 ASP C C 177.227 0.300 1 1151 102 102 ASP CA C 56.837 0.300 1 1152 102 102 ASP CB C 42.467 0.300 1 1153 102 102 ASP N N 115.794 0.300 1 1154 103 103 THR H H 7.270 0.030 1 1155 103 103 THR HA H 4.462 0.030 1 1156 103 103 THR HB H 4.374 0.030 1 1157 103 103 THR HG2 H 1.192 0.030 1 1158 103 103 THR C C 175.275 0.300 1 1159 103 103 THR CA C 58.786 0.300 1 1160 103 103 THR CB C 73.116 0.300 1 1161 103 103 THR CG2 C 21.499 0.300 1 1162 103 103 THR N N 104.508 0.300 1 1163 104 104 GLY H H 8.386 0.030 1 1164 104 104 GLY HA2 H 3.623 0.030 2 1165 104 104 GLY HA3 H 3.205 0.030 2 1166 104 104 GLY C C 176.106 0.300 1 1167 104 104 GLY CA C 47.284 0.300 1 1168 104 104 GLY N N 111.895 0.300 1 1169 105 105 LYS H H 8.225 0.030 1 1170 105 105 LYS HA H 4.074 0.030 1 1171 105 105 LYS HB2 H 1.727 0.030 2 1172 105 105 LYS HB3 H 1.832 0.030 2 1173 105 105 LYS HD2 H 1.685 0.030 1 1174 105 105 LYS HD3 H 1.685 0.030 1 1175 105 105 LYS HE2 H 2.935 0.030 2 1176 105 105 LYS HE3 H 2.895 0.030 2 1177 105 105 LYS HG2 H 1.415 0.030 1 1178 105 105 LYS HG3 H 1.415 0.030 1 1179 105 105 LYS C C 178.716 0.300 1 1180 105 105 LYS CA C 58.523 0.300 1 1181 105 105 LYS CB C 31.526 0.300 1 1182 105 105 LYS CD C 28.403 0.300 1 1183 105 105 LYS CE C 41.965 0.300 1 1184 105 105 LYS CG C 24.376 0.300 1 1185 105 105 LYS N N 122.594 0.300 1 1186 106 106 GLU H H 7.266 0.030 1 1187 106 106 GLU HA H 3.873 0.030 1 1188 106 106 GLU HB2 H 2.374 0.030 2 1189 106 106 GLU HB3 H 2.196 0.030 2 1190 106 106 GLU HG2 H 2.441 0.030 2 1191 106 106 GLU HG3 H 2.294 0.030 2 1192 106 106 GLU C C 178.150 0.300 1 1193 106 106 GLU CA C 59.418 0.300 1 1194 106 106 GLU CB C 31.034 0.300 1 1195 106 106 GLU CG C 37.938 0.300 1 1196 106 106 GLU N N 115.610 0.300 1 1197 107 107 MET H H 7.265 0.030 1 1198 107 107 MET HA H 3.775 0.030 1 1199 107 107 MET HB2 H 2.376 0.030 2 1200 107 107 MET HB3 H 2.192 0.030 2 1201 107 107 MET HE H 2.185 0.030 1 1202 107 107 MET HG2 H 2.520 0.030 2 1203 107 107 MET HG3 H 2.045 0.030 2 1204 107 107 MET C C 177.222 0.300 1 1205 107 107 MET CA C 60.139 0.300 1 1206 107 107 MET CB C 31.444 0.300 1 1207 107 107 MET CE C 18.428 0.300 1 1208 107 107 MET CG C 32.127 0.300 1 1209 107 107 MET N N 121.166 0.300 1 1210 108 108 GLU H H 7.934 0.030 1 1211 108 108 GLU HA H 3.804 0.030 1 1212 108 108 GLU HB2 H 2.105 0.030 2 1213 108 108 GLU HB3 H 2.053 0.030 2 1214 108 108 GLU HG2 H 2.382 0.030 2 1215 108 108 GLU HG3 H 2.105 0.030 2 1216 108 108 GLU C C 179.621 0.300 1 1217 108 108 GLU CA C 59.400 0.300 1 1218 108 108 GLU CB C 29.677 0.300 1 1219 108 108 GLU CG C 36.047 0.300 1 1220 108 108 GLU N N 118.583 0.300 1 1221 109 109 LEU H H 7.936 0.030 1 1222 109 109 LEU HA H 3.906 0.030 1 1223 109 109 LEU HB2 H 0.935 0.030 2 1224 109 109 LEU HB3 H 1.615 0.030 2 1225 109 109 LEU HD1 H 0.733 0.030 1 1226 109 109 LEU HD2 H 0.736 0.030 1 1227 109 109 LEU HG H 1.795 0.030 1 1228 109 109 LEU C C 181.141 0.300 1 1229 109 109 LEU CA C 57.733 0.300 1 1230 109 109 LEU CB C 41.311 0.300 1 1231 109 109 LEU CD1 C 25.691 0.300 2 1232 109 109 LEU CD2 C 22.156 0.300 2 1233 109 109 LEU CG C 26.356 0.300 1 1234 109 109 LEU N N 118.039 0.300 1 1235 110 110 TRP H H 8.473 0.030 1 1236 110 110 TRP HA H 4.226 0.030 1 1237 110 110 TRP HB2 H 2.915 0.030 2 1238 110 110 TRP HB3 H 3.216 0.030 2 1239 110 110 TRP HD1 H 7.208 0.030 1 1240 110 110 TRP HE1 H 9.926 0.030 1 1241 110 110 TRP HE3 H 7.288 0.030 1 1242 110 110 TRP HH2 H 6.645 0.030 1 1243 110 110 TRP HZ2 H 6.875 0.030 1 1244 110 110 TRP HZ3 H 6.575 0.030 1 1245 110 110 TRP C C 178.389 0.300 1 1246 110 110 TRP CA C 61.156 0.300 1 1247 110 110 TRP CB C 29.307 0.300 1 1248 110 110 TRP CD1 C 127.005 0.300 1 1249 110 110 TRP CE3 C 119.481 0.300 1 1250 110 110 TRP CH2 C 125.211 0.300 1 1251 110 110 TRP CZ2 C 115.414 0.300 1 1252 110 110 TRP CZ3 C 121.315 0.300 1 1253 110 110 TRP N N 119.244 0.300 1 1254 110 110 TRP NE1 N 127.793 0.300 1 1255 111 111 MET H H 8.599 0.030 1 1256 111 111 MET HA H 3.371 0.030 1 1257 111 111 MET HB2 H 1.733 0.030 1 1258 111 111 MET HB3 H 1.733 0.030 1 1259 111 111 MET HE H 1.825 0.030 1 1260 111 111 MET HG2 H 1.052 0.030 2 1261 111 111 MET HG3 H 1.483 0.030 2 1262 111 111 MET C C 177.612 0.300 1 1263 111 111 MET CA C 60.997 0.300 1 1264 111 111 MET CB C 32.130 0.300 1 1265 111 111 MET CE C 16.182 0.300 1 1266 111 111 MET CG C 32.145 0.300 1 1267 111 111 MET N N 117.829 0.300 1 1268 112 112 LYS H H 7.722 0.030 1 1269 112 112 LYS HA H 3.929 0.030 1 1270 112 112 LYS HB2 H 1.842 0.030 2 1271 112 112 LYS HB3 H 1.775 0.030 2 1272 112 112 LYS HD2 H 1.549 0.030 2 1273 112 112 LYS HD3 H 1.704 0.030 2 1274 112 112 LYS HE2 H 2.939 0.030 1 1275 112 112 LYS HE3 H 2.939 0.030 1 1276 112 112 LYS HG2 H 1.436 0.030 2 1277 112 112 LYS HG3 H 1.375 0.030 2 1278 112 112 LYS C C 177.620 0.300 1 1279 112 112 LYS CA C 59.225 0.300 1 1280 112 112 LYS CB C 32.348 0.300 1 1281 112 112 LYS CD C 28.650 0.300 1 1282 112 112 LYS CE C 42.217 0.300 1 1283 112 112 LYS CG C 25.067 0.300 1 1284 112 112 LYS N N 117.480 0.300 1 1285 113 113 ALA H H 7.286 0.030 1 1286 113 113 ALA HA H 4.075 0.030 1 1287 113 113 ALA HB H 1.222 0.030 1 1288 113 113 ALA C C 180.465 0.300 1 1289 113 113 ALA CA C 54.624 0.300 1 1290 113 113 ALA CB C 17.816 0.300 1 1291 113 113 ALA N N 119.183 0.300 1 1292 114 114 MET H H 8.428 0.030 1 1293 114 114 MET HA H 3.835 0.030 1 1294 114 114 MET HB2 H 1.745 0.030 2 1295 114 114 MET HB3 H 2.123 0.030 2 1296 114 114 MET HE H 0.945 0.030 1 1297 114 114 MET HG2 H 2.969 0.030 2 1298 114 114 MET HG3 H 2.265 0.030 2 1299 114 114 MET C C 177.311 0.300 1 1300 114 114 MET CA C 60.454 0.300 1 1301 114 114 MET CB C 33.075 0.300 1 1302 114 114 MET CE C 18.647 0.300 1 1303 114 114 MET CG C 34.040 0.300 1 1304 114 114 MET N N 115.394 0.300 1 1305 115 115 LEU H H 8.658 0.030 1 1306 115 115 LEU HA H 3.945 0.030 1 1307 115 115 LEU HB2 H 1.785 0.030 2 1308 115 115 LEU HB3 H 1.675 0.030 2 1309 115 115 LEU HD1 H 0.919 0.030 1 1310 115 115 LEU HD2 H 1.003 0.030 1 1311 115 115 LEU HG H 1.603 0.030 1 1312 115 115 LEU C C 178.773 0.300 1 1313 115 115 LEU CA C 58.593 0.300 1 1314 115 115 LEU CB C 42.212 0.300 1 1315 115 115 LEU CD1 C 25.033 0.300 2 1316 115 115 LEU CD2 C 25.033 0.300 2 1317 115 115 LEU CG C 27.337 0.300 1 1318 115 115 LEU N N 121.171 0.300 1 1319 116 116 ASP H H 7.901 0.030 1 1320 116 116 ASP HA H 4.332 0.030 1 1321 116 116 ASP HB2 H 2.774 0.030 2 1322 116 116 ASP HB3 H 2.545 0.030 2 1323 116 116 ASP C C 178.756 0.300 1 1324 116 116 ASP CA C 57.030 0.300 1 1325 116 116 ASP CB C 40.214 0.300 1 1326 116 116 ASP N N 117.177 0.300 1 1327 117 117 ALA H H 7.204 0.030 1 1328 117 117 ALA HA H 4.271 0.030 1 1329 117 117 ALA HB H 1.446 0.030 1 1330 117 117 ALA C C 177.569 0.300 1 1331 117 117 ALA CA C 53.816 0.300 1 1332 117 117 ALA CB C 20.102 0.300 1 1333 117 117 ALA N N 120.367 0.300 1 1334 118 118 ALA H H 8.284 0.030 1 1335 118 118 ALA HA H 4.225 0.030 1 1336 118 118 ALA HB H 1.636 0.030 1 1337 118 118 ALA C C 179.745 0.300 1 1338 118 118 ALA CA C 53.519 0.300 1 1339 118 118 ALA CB C 19.608 0.300 1 1340 118 118 ALA N N 118.860 0.300 1 1341 119 119 LEU H H 7.594 0.030 1 1342 119 119 LEU HA H 4.285 0.030 1 1343 119 119 LEU HB2 H 1.785 0.030 2 1344 119 119 LEU HB3 H 1.682 0.030 2 1345 119 119 LEU HD1 H 0.943 0.030 1 1346 119 119 LEU HD2 H 0.923 0.030 1 1347 119 119 LEU HG H 1.843 0.030 1 1348 119 119 LEU C C 177.380 0.300 1 1349 119 119 LEU CA C 55.661 0.300 1 1350 119 119 LEU CB C 42.417 0.300 1 1351 119 119 LEU CD1 C 25.067 0.300 2 1352 119 119 LEU CD2 C 23.718 0.300 2 1353 119 119 LEU CG C 26.759 0.300 1 1354 119 119 LEU N N 118.000 0.300 1 1355 120 120 VAL H H 7.897 0.030 1 1356 120 120 VAL HA H 3.991 0.030 1 1357 120 120 VAL HB H 2.195 0.030 1 1358 120 120 VAL HG1 H 1.075 0.030 1 1359 120 120 VAL HG2 H 0.985 0.030 1 1360 120 120 VAL C C 175.900 0.300 1 1361 120 120 VAL CA C 63.270 0.300 1 1362 120 120 VAL CB C 32.102 0.300 1 1363 120 120 VAL CG1 C 21.573 0.300 2 1364 120 120 VAL CG2 C 21.663 0.300 2 1365 120 120 VAL N N 123.235 0.300 1 1366 121 121 GLN H H 8.513 0.030 1 1367 121 121 GLN HA H 4.497 0.030 1 1368 121 121 GLN HB2 H 2.145 0.030 2 1369 121 121 GLN HB3 H 1.986 0.030 2 1370 121 121 GLN HE21 H 6.892 0.030 2 1371 121 121 GLN HE22 H 7.578 0.030 2 1372 121 121 GLN HG2 H 2.403 0.030 1 1373 121 121 GLN HG3 H 2.403 0.030 1 1374 121 121 GLN C C 176.178 0.300 1 1375 121 121 GLN CA C 55.450 0.300 1 1376 121 121 GLN CB C 29.759 0.300 1 1377 121 121 GLN CG C 33.828 0.300 1 1378 121 121 GLN N N 124.569 0.300 1 1379 121 121 GLN NE2 N 112.766 0.300 1 1380 122 122 THR H H 8.278 0.030 1 1381 122 122 THR HA H 4.427 0.030 1 1382 122 122 THR HB H 4.276 0.030 1 1383 122 122 THR HG2 H 1.211 0.030 1 1384 122 122 THR C C 174.475 0.300 1 1385 122 122 THR CA C 61.596 0.300 1 1386 122 122 THR CB C 69.870 0.300 1 1387 122 122 THR CG2 C 21.417 0.300 1 1388 122 122 THR N N 115.584 0.300 1 1389 123 123 SER H H 8.395 0.030 1 1390 123 123 SER HA H 4.545 0.030 1 1391 123 123 SER HB2 H 3.896 0.030 1 1392 123 123 SER HB3 H 3.896 0.030 1 1393 123 123 SER C C 174.468 0.300 1 1394 123 123 SER CA C 58.259 0.300 1 1395 123 123 SER CB C 64.239 0.300 1 1396 123 123 SER N N 117.890 0.300 1 1397 124 124 GLY H H 8.295 0.030 1 1398 124 124 GLY HA2 H 4.165 0.030 2 1399 124 124 GLY HA3 H 4.108 0.030 2 1400 124 124 GLY CA C 44.595 0.300 1 1401 124 124 GLY N N 110.732 0.300 1 1402 125 125 PRO HA H 4.486 0.030 1 1403 125 125 PRO HB2 H 2.316 0.030 2 1404 125 125 PRO HB3 H 1.975 0.030 2 1405 125 125 PRO HD2 H 3.627 0.030 1 1406 125 125 PRO HD3 H 3.627 0.030 1 1407 125 125 PRO HG2 H 2.018 0.030 1 1408 125 125 PRO HG3 H 2.018 0.030 1 1409 125 125 PRO C C 177.405 0.300 1 1410 125 125 PRO CA C 63.246 0.300 1 1411 125 125 PRO CB C 32.184 0.300 1 1412 125 125 PRO CD C 49.785 0.300 1 1413 125 125 PRO CG C 27.087 0.300 1 1414 126 126 SER H H 8.548 0.030 1 1415 126 126 SER C C 174.710 0.300 1 1416 126 126 SER CA C 58.435 0.300 1 1417 126 126 SER CB C 63.993 0.300 1 1418 126 126 SER N N 116.501 0.300 1 stop_ save_