data_11198 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Solution structure of the third PDZ domain of synapse-associated protein 102 ; _BMRB_accession_number 11198 _BMRB_flat_file_name bmr11198.str _Entry_type original _Submission_date 2010-07-21 _Accession_date 2010-07-23 _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 Qin X. . . 2 Nagashima T. . . 3 Hayashi F. . . 4 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" 618 "13C chemical shifts" 459 "15N chemical shifts" 120 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2011-07-20 original author . stop_ _Original_release_date 2011-07-20 save_ ############################# # Citation for this entry # ############################# save_citation_1 _Saveframe_category entry_citation _Citation_full . _Citation_title 'Solution structure of the third PDZ domain of synapse-associated protein 102' _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 Qin X. . . 2 Nagashima T. . . 3 Hayashi F. . . 4 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 'synapse-associated protein 102' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label 'synapse-associated protein 102' $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 'PDZ domain' _Molecular_mass . _Mol_thiol_state 'not present' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 113 _Mol_residue_sequence ; GSSGSSGRPGGDAREPRKII LHKGSTGLGFNIVGGEDGEG IFVSFILAGGPADLSGELRR GDRILSVNGVNLRNATHEQA AAALKRAGQSVTIVAQYRPE EYSRFESSGPSSG ; loop_ _Residue_seq_code _Residue_label 1 GLY 2 SER 3 SER 4 GLY 5 SER 6 SER 7 GLY 8 ARG 9 PRO 10 GLY 11 GLY 12 ASP 13 ALA 14 ARG 15 GLU 16 PRO 17 ARG 18 LYS 19 ILE 20 ILE 21 LEU 22 HIS 23 LYS 24 GLY 25 SER 26 THR 27 GLY 28 LEU 29 GLY 30 PHE 31 ASN 32 ILE 33 VAL 34 GLY 35 GLY 36 GLU 37 ASP 38 GLY 39 GLU 40 GLY 41 ILE 42 PHE 43 VAL 44 SER 45 PHE 46 ILE 47 LEU 48 ALA 49 GLY 50 GLY 51 PRO 52 ALA 53 ASP 54 LEU 55 SER 56 GLY 57 GLU 58 LEU 59 ARG 60 ARG 61 GLY 62 ASP 63 ARG 64 ILE 65 LEU 66 SER 67 VAL 68 ASN 69 GLY 70 VAL 71 ASN 72 LEU 73 ARG 74 ASN 75 ALA 76 THR 77 HIS 78 GLU 79 GLN 80 ALA 81 ALA 82 ALA 83 ALA 84 LEU 85 LYS 86 ARG 87 ALA 88 GLY 89 GLN 90 SER 91 VAL 92 THR 93 ILE 94 VAL 95 ALA 96 GLN 97 TYR 98 ARG 99 PRO 100 GLU 101 GLU 102 TYR 103 SER 104 ARG 105 PHE 106 GLU 107 SER 108 SER 109 GLY 110 PRO 111 SER 112 SER 113 GLY stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2015-09-23 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 1UM7 "Solution Structure Of The Third Pdz Domain Of Synapse- Associated Protein 102" 100.00 113 100.00 100.00 1.98e-71 PDB 3JXT "Crystal Structure Of The Third Pdz Domain Of Sap-102 In Complex With A Fluorogenic Peptide-based Ligand" 84.07 104 98.95 98.95 6.71e-59 DBJ BAA86546 "KIAA1232 protein [Homo sapiens]" 90.27 520 99.02 99.02 1.41e-60 DBJ BAG64935 "unnamed protein product [Homo sapiens]" 90.27 512 99.02 99.02 1.24e-60 DBJ BAH14889 "unnamed protein product [Homo sapiens]" 90.27 512 99.02 99.02 1.24e-60 GB EAX05333 "discs, large homolog 3 (neuroendocrine-dlg, Drosophila), isoform CRA_a [Homo sapiens]" 90.27 512 99.02 99.02 1.24e-60 GB EAX05335 "discs, large homolog 3 (neuroendocrine-dlg, Drosophila), isoform CRA_a [Homo sapiens]" 90.27 512 99.02 99.02 1.24e-60 GB EDL14166 "discs, large homolog 3 (Drosophila), isoform CRA_b, partial [Mus musculus]" 84.07 569 98.95 98.95 2.51e-55 REF NP_001171250 "disks large homolog 3 isoform 3 [Mus musculus]" 90.27 512 99.02 99.02 1.18e-60 REF NP_065781 "disks large homolog 3 isoform b [Homo sapiens]" 90.27 512 99.02 99.02 1.24e-60 REF XP_003484171 "PREDICTED: disks large homolog 3 isoform X3 [Sus scrofa]" 90.27 512 99.02 99.02 1.36e-60 REF XP_003917894 "PREDICTED: disks large homolog 3 isoform X7 [Papio anubis]" 90.27 513 99.02 99.02 1.29e-60 REF XP_004000645 "PREDICTED: disks large homolog 3 isoform X3 [Felis catus]" 90.27 512 99.02 99.02 1.42e-60 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 P021030-42 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Saveframe_category sample _Sample_type solution _Details ; 1.05mM 13C, 15N-labeled {protein;} 20mM phosphate {buffer;} 100mM {NaCl;} 1mM {d10-DTT;} 0.02% NaN3 ; loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $entity_1 1.05 mM '[U-13C; U-15N]' phosphate 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_VNMR _Saveframe_category software _Name VNMR _Version 6.1C loop_ _Vendor _Address _Electronic_address varian . . stop_ loop_ _Task collection stop_ _Details . save_ save_NMRPipe _Saveframe_category software _Name NMRPipe _Version 20020425 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 0.854 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 stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Varian _Model INOVA _Field_strength 800 _Details . save_ ############################# # NMR applied experiments # ############################# save_3D_13C-separated_NOESY_1 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 13C-separated NOESY' _Sample_label $sample_1 save_ save_3D_15N-separated_NOESY_2 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 15N-separated NOESY' _Sample_label $sample_1 save_ ####################### # 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 6.0 0.05 pH pressure 1 0.001 atm temperature 298 0.1 K stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_reference_1 _Saveframe_category chemical_shift_reference _Details ; Chemical shift reference of 1H was based on the proton of water (4.784ppm at 298K) and then those of 15N and 13C were calculated based on their gyromagnetic ratios. ; loop_ _Mol_common_name _Atom_type _Atom_isotope_number _Atom_group _Chem_shift_units _Chem_shift_value _Reference_method _Reference_type _External_reference_sample_geometry _External_reference_location _External_reference_axis _Indirect_shift_ratio DSS C 13 'methyl protons' ppm 0.0 . indirect . . . 0.251449530 DSS H 1 'methyl protons' ppm 0.0 . indirect . . . 1.0 DSS N 15 'methyl protons' ppm 0.0 . indirect . . . 0.101329118 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_chemical_shift_1 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Software_label $VNMR $NMRPipe $NMRView $Kujira $CYANA stop_ loop_ _Experiment_label '3D 13C-separated NOESY' '3D 15N-separated NOESY' stop_ loop_ _Sample_label $sample_1 stop_ _Sample_conditions_label $condition_1 _Chem_shift_reference_set_label $reference_1 _Mol_system_component_name 'synapse-associated protein 102' _Text_data_format . _Text_data . loop_ _Atom_shift_assign_ID _Residue_author_seq_code _Residue_seq_code _Residue_label _Atom_name _Atom_type _Chem_shift_value _Chem_shift_value_error _Chem_shift_ambiguity_code 1 2 2 SER HA H 4.591 0.030 1 2 2 2 SER HB2 H 3.924 0.030 1 3 2 2 SER HB3 H 3.924 0.030 1 4 2 2 SER C C 174.476 0.300 1 5 2 2 SER CA C 58.529 0.300 1 6 2 2 SER CB C 63.900 0.300 1 7 3 3 SER H H 8.448 0.030 1 8 3 3 SER HA H 4.510 0.030 1 9 3 3 SER HB2 H 3.894 0.030 2 10 3 3 SER HB3 H 3.856 0.030 2 11 3 3 SER C C 174.494 0.300 1 12 3 3 SER CA C 58.492 0.300 1 13 3 3 SER CB C 63.846 0.300 1 14 3 3 SER N N 117.877 0.300 1 15 4 4 GLY H H 8.485 0.030 1 16 4 4 GLY HA2 H 4.021 0.030 2 17 4 4 GLY HA3 H 3.974 0.030 2 18 4 4 GLY C C 174.377 0.300 1 19 4 4 GLY CA C 45.460 0.300 1 20 4 4 GLY N N 110.894 0.300 1 21 5 5 SER H H 8.307 0.030 1 22 5 5 SER HA H 4.500 0.030 1 23 5 5 SER HB2 H 3.895 0.030 1 24 5 5 SER HB3 H 3.895 0.030 1 25 5 5 SER C C 174.906 0.300 1 26 5 5 SER CA C 58.433 0.300 1 27 5 5 SER CB C 63.971 0.300 1 28 5 5 SER N N 115.795 0.300 1 29 6 6 SER H H 8.449 0.030 1 30 6 6 SER HA H 4.470 0.030 1 31 6 6 SER HB2 H 3.900 0.030 1 32 6 6 SER HB3 H 3.900 0.030 1 33 6 6 SER C C 175.002 0.300 1 34 6 6 SER CA C 58.810 0.300 1 35 6 6 SER CB C 63.835 0.300 1 36 6 6 SER N N 117.884 0.300 1 37 7 7 GLY H H 8.397 0.030 1 38 7 7 GLY HA2 H 3.959 0.030 1 39 7 7 GLY HA3 H 3.959 0.030 1 40 7 7 GLY C C 173.725 0.300 1 41 7 7 GLY CA C 45.229 0.300 1 42 7 7 GLY N N 110.569 0.300 1 43 8 8 ARG H H 8.164 0.030 1 44 8 8 ARG HA H 4.651 0.030 1 45 8 8 ARG HB2 H 1.824 0.030 2 46 8 8 ARG HB3 H 1.716 0.030 2 47 8 8 ARG HD2 H 3.189 0.030 1 48 8 8 ARG HD3 H 3.189 0.030 1 49 8 8 ARG HG2 H 1.639 0.030 1 50 8 8 ARG HG3 H 1.639 0.030 1 51 8 8 ARG C C 174.413 0.300 1 52 8 8 ARG CA C 53.927 0.300 1 53 8 8 ARG CB C 30.302 0.300 1 54 8 8 ARG CD C 43.419 0.300 1 55 8 8 ARG CG C 26.735 0.300 1 56 8 8 ARG N N 121.512 0.300 1 57 9 9 PRO HA H 4.442 0.030 1 58 9 9 PRO HB2 H 2.302 0.030 2 59 9 9 PRO HB3 H 1.947 0.030 2 60 9 9 PRO HD2 H 3.830 0.030 2 61 9 9 PRO HD3 H 3.641 0.030 2 62 9 9 PRO HG2 H 2.056 0.030 2 63 9 9 PRO HG3 H 2.006 0.030 2 64 9 9 PRO C C 177.635 0.300 1 65 9 9 PRO CA C 63.545 0.300 1 66 9 9 PRO CB C 32.022 0.300 1 67 9 9 PRO CD C 50.686 0.300 1 68 9 9 PRO CG C 27.445 0.300 1 69 10 10 GLY H H 8.619 0.030 1 70 10 10 GLY HA2 H 4.008 0.030 2 71 10 10 GLY HA3 H 3.981 0.030 2 72 10 10 GLY C C 174.968 0.300 1 73 10 10 GLY CA C 45.345 0.300 1 74 10 10 GLY N N 110.057 0.300 1 75 11 11 GLY H H 8.302 0.030 1 76 11 11 GLY HA2 H 4.027 0.030 2 77 11 11 GLY HA3 H 3.974 0.030 2 78 11 11 GLY C C 174.024 0.300 1 79 11 11 GLY CA C 45.399 0.300 1 80 11 11 GLY N N 108.682 0.300 1 81 12 12 ASP H H 8.381 0.030 1 82 12 12 ASP HA H 4.614 0.030 1 83 12 12 ASP HB2 H 2.719 0.030 2 84 12 12 ASP HB3 H 2.648 0.030 2 85 12 12 ASP C C 176.563 0.300 1 86 12 12 ASP CA C 54.331 0.300 1 87 12 12 ASP CB C 41.489 0.300 1 88 12 12 ASP N N 120.470 0.300 1 89 13 13 ALA H H 8.359 0.030 1 90 13 13 ALA HA H 4.352 0.030 1 91 13 13 ALA HB H 1.489 0.030 1 92 13 13 ALA C C 178.667 0.300 1 93 13 13 ALA CA C 53.395 0.300 1 94 13 13 ALA CB C 18.988 0.300 1 95 13 13 ALA N N 124.563 0.300 1 96 14 14 ARG H H 8.648 0.030 1 97 14 14 ARG HA H 4.558 0.030 1 98 14 14 ARG HB2 H 2.197 0.030 2 99 14 14 ARG HB3 H 1.905 0.030 2 100 14 14 ARG HD2 H 3.390 0.030 2 101 14 14 ARG HD3 H 3.296 0.030 2 102 14 14 ARG HE H 7.495 0.030 1 103 14 14 ARG HG2 H 1.820 0.030 1 104 14 14 ARG HG3 H 1.820 0.030 1 105 14 14 ARG C C 176.413 0.300 1 106 14 14 ARG CA C 56.212 0.300 1 107 14 14 ARG CB C 30.814 0.300 1 108 14 14 ARG CD C 43.310 0.300 1 109 14 14 ARG CG C 27.654 0.300 1 110 14 14 ARG N N 118.941 0.300 1 111 14 14 ARG NE N 84.014 0.300 1 112 15 15 GLU H H 8.027 0.030 1 113 15 15 GLU HA H 4.672 0.030 1 114 15 15 GLU HB2 H 2.148 0.030 2 115 15 15 GLU HB3 H 1.967 0.030 2 116 15 15 GLU HG2 H 2.407 0.030 2 117 15 15 GLU HG3 H 2.355 0.030 2 118 15 15 GLU C C 174.820 0.300 1 119 15 15 GLU CA C 54.949 0.300 1 120 15 15 GLU CB C 28.781 0.300 1 121 15 15 GLU CG C 35.982 0.300 1 122 15 15 GLU N N 120.750 0.300 1 123 16 16 PRO HA H 4.674 0.030 1 124 16 16 PRO HB2 H 1.876 0.030 2 125 16 16 PRO HB3 H 1.714 0.030 2 126 16 16 PRO HD2 H 3.872 0.030 2 127 16 16 PRO HD3 H 3.643 0.030 2 128 16 16 PRO HG2 H 2.059 0.030 2 129 16 16 PRO HG3 H 1.747 0.030 2 130 16 16 PRO C C 176.001 0.300 1 131 16 16 PRO CA C 63.242 0.300 1 132 16 16 PRO CB C 31.738 0.300 1 133 16 16 PRO CD C 50.676 0.300 1 134 16 16 PRO CG C 27.901 0.300 1 135 17 17 ARG H H 9.268 0.030 1 136 17 17 ARG HA H 4.730 0.030 1 137 17 17 ARG HB2 H 1.727 0.030 1 138 17 17 ARG HB3 H 1.727 0.030 1 139 17 17 ARG HD2 H 3.294 0.030 2 140 17 17 ARG HD3 H 3.120 0.030 2 141 17 17 ARG HE H 7.536 0.030 1 142 17 17 ARG HG2 H 1.706 0.030 2 143 17 17 ARG HG3 H 1.551 0.030 2 144 17 17 ARG C C 173.263 0.300 1 145 17 17 ARG CA C 54.844 0.300 1 146 17 17 ARG CB C 31.703 0.300 1 147 17 17 ARG CD C 43.961 0.300 1 148 17 17 ARG CG C 25.886 0.300 1 149 17 17 ARG N N 121.920 0.300 1 150 17 17 ARG NE N 83.967 0.300 1 151 18 18 LYS H H 8.447 0.030 1 152 18 18 LYS HA H 4.943 0.030 1 153 18 18 LYS HB2 H 1.642 0.030 1 154 18 18 LYS HB3 H 1.642 0.030 1 155 18 18 LYS HD2 H 1.591 0.030 1 156 18 18 LYS HD3 H 1.591 0.030 1 157 18 18 LYS HE2 H 2.835 0.030 1 158 18 18 LYS HE3 H 2.835 0.030 1 159 18 18 LYS HG2 H 1.212 0.030 2 160 18 18 LYS HG3 H 1.104 0.030 2 161 18 18 LYS C C 175.816 0.300 1 162 18 18 LYS CA C 55.617 0.300 1 163 18 18 LYS CB C 33.508 0.300 1 164 18 18 LYS CD C 29.341 0.300 1 165 18 18 LYS CE C 41.718 0.300 1 166 18 18 LYS CG C 25.357 0.300 1 167 18 18 LYS N N 122.361 0.300 1 168 19 19 ILE H H 9.606 0.030 1 169 19 19 ILE HA H 4.251 0.030 1 170 19 19 ILE HB H 1.523 0.030 1 171 19 19 ILE HD1 H 0.611 0.030 1 172 19 19 ILE HG12 H 1.329 0.030 2 173 19 19 ILE HG13 H 0.913 0.030 2 174 19 19 ILE HG2 H 0.716 0.030 1 175 19 19 ILE C C 173.779 0.300 1 176 19 19 ILE CA C 60.869 0.300 1 177 19 19 ILE CB C 42.614 0.300 1 178 19 19 ILE CD1 C 16.361 0.300 1 179 19 19 ILE CG1 C 27.800 0.300 1 180 19 19 ILE CG2 C 18.105 0.300 1 181 19 19 ILE N N 129.406 0.300 1 182 20 20 ILE H H 8.730 0.030 1 183 20 20 ILE HA H 4.998 0.030 1 184 20 20 ILE HB H 1.688 0.030 1 185 20 20 ILE HD1 H 0.807 0.030 1 186 20 20 ILE HG12 H 1.429 0.030 2 187 20 20 ILE HG13 H 1.154 0.030 2 188 20 20 ILE HG2 H 0.611 0.030 1 189 20 20 ILE C C 175.978 0.300 1 190 20 20 ILE CA C 60.044 0.300 1 191 20 20 ILE CB C 38.669 0.300 1 192 20 20 ILE CD1 C 13.651 0.300 1 193 20 20 ILE CG1 C 27.848 0.300 1 194 20 20 ILE CG2 C 17.394 0.300 1 195 20 20 ILE N N 127.244 0.300 1 196 21 21 LEU H H 8.946 0.030 1 197 21 21 LEU HA H 4.814 0.030 1 198 21 21 LEU HB2 H 1.545 0.030 2 199 21 21 LEU HB3 H 1.299 0.030 2 200 21 21 LEU HD1 H 0.890 0.030 1 201 21 21 LEU HD2 H 0.865 0.030 1 202 21 21 LEU HG H 1.534 0.030 1 203 21 21 LEU C C 174.872 0.300 1 204 21 21 LEU CA C 52.671 0.300 1 205 21 21 LEU CB C 46.841 0.300 1 206 21 21 LEU CD1 C 24.150 0.300 2 207 21 21 LEU CD2 C 26.797 0.300 2 208 21 21 LEU CG C 26.945 0.300 1 209 21 21 LEU N N 126.445 0.300 1 210 22 22 HIS H H 8.560 0.030 1 211 22 22 HIS HA H 5.392 0.030 1 212 22 22 HIS HB2 H 3.155 0.030 2 213 22 22 HIS HB3 H 3.016 0.030 2 214 22 22 HIS HD2 H 7.178 0.030 1 215 22 22 HIS HE1 H 8.296 0.030 1 216 22 22 HIS C C 174.784 0.300 1 217 22 22 HIS CA C 53.954 0.300 1 218 22 22 HIS CB C 30.323 0.300 1 219 22 22 HIS CD2 C 119.915 0.300 1 220 22 22 HIS CE1 C 136.755 0.300 1 221 22 22 HIS N N 120.102 0.300 1 222 23 23 LYS H H 8.771 0.030 1 223 23 23 LYS HA H 3.836 0.030 1 224 23 23 LYS HB2 H 1.854 0.030 2 225 23 23 LYS HB3 H 1.692 0.030 2 226 23 23 LYS HD2 H 1.632 0.030 1 227 23 23 LYS HD3 H 1.632 0.030 1 228 23 23 LYS HE2 H 2.881 0.030 1 229 23 23 LYS HE3 H 2.881 0.030 1 230 23 23 LYS HG2 H 1.347 0.030 1 231 23 23 LYS HG3 H 1.347 0.030 1 232 23 23 LYS C C 176.549 0.300 1 233 23 23 LYS CA C 58.306 0.300 1 234 23 23 LYS CB C 34.207 0.300 1 235 23 23 LYS CD C 29.866 0.300 1 236 23 23 LYS CE C 42.090 0.300 1 237 23 23 LYS CG C 26.086 0.300 1 238 23 23 LYS N N 124.162 0.300 1 239 24 24 GLY H H 7.849 0.030 1 240 24 24 GLY HA2 H 3.925 0.030 2 241 24 24 GLY HA3 H 4.550 0.030 2 242 24 24 GLY C C 175.930 0.300 1 243 24 24 GLY CA C 44.593 0.300 1 244 24 24 GLY N N 111.112 0.300 1 245 25 25 SER H H 9.050 0.030 1 246 25 25 SER HA H 4.328 0.030 1 247 25 25 SER HB2 H 4.008 0.030 2 248 25 25 SER HB3 H 3.969 0.030 2 249 25 25 SER C C 175.946 0.300 1 250 25 25 SER CA C 60.840 0.300 1 251 25 25 SER CB C 63.033 0.300 1 252 26 26 THR H H 8.087 0.030 1 253 26 26 THR HA H 4.584 0.030 1 254 26 26 THR HB H 4.504 0.030 1 255 26 26 THR HG2 H 1.187 0.030 1 256 26 26 THR C C 174.846 0.300 1 257 26 26 THR CA C 60.705 0.300 1 258 26 26 THR CB C 69.142 0.300 1 259 26 26 THR CG2 C 21.560 0.300 1 260 26 26 THR N N 110.284 0.300 1 261 27 27 GLY H H 7.841 0.030 1 262 27 27 GLY HA2 H 4.490 0.030 2 263 27 27 GLY HA3 H 3.676 0.030 2 264 27 27 GLY C C 174.594 0.300 1 265 27 27 GLY CA C 45.138 0.300 1 266 27 27 GLY N N 109.463 0.300 1 267 28 28 LEU H H 8.968 0.030 1 268 28 28 LEU HA H 4.216 0.030 1 269 28 28 LEU HB2 H 1.610 0.030 2 270 28 28 LEU HB3 H 1.540 0.030 2 271 28 28 LEU HD1 H 0.905 0.030 1 272 28 28 LEU HD2 H 0.772 0.030 1 273 28 28 LEU HG H 1.625 0.030 1 274 28 28 LEU C C 177.534 0.300 1 275 28 28 LEU CA C 55.885 0.300 1 276 28 28 LEU CB C 43.545 0.300 1 277 28 28 LEU CD1 C 26.752 0.300 2 278 28 28 LEU CD2 C 23.436 0.300 2 279 28 28 LEU CG C 27.175 0.300 1 280 28 28 LEU N N 121.051 0.300 1 281 29 29 GLY H H 8.628 0.030 1 282 29 29 GLY HA2 H 4.209 0.030 2 283 29 29 GLY HA3 H 3.919 0.030 2 284 29 29 GLY C C 175.734 0.300 1 285 29 29 GLY CA C 46.663 0.300 1 286 29 29 GLY N N 104.570 0.300 1 287 30 30 PHE H H 7.399 0.030 1 288 30 30 PHE HA H 5.375 0.030 1 289 30 30 PHE HB2 H 3.355 0.030 2 290 30 30 PHE HB3 H 2.857 0.030 2 291 30 30 PHE HD1 H 6.861 0.030 1 292 30 30 PHE HD2 H 6.861 0.030 1 293 30 30 PHE HE1 H 6.851 0.030 1 294 30 30 PHE HE2 H 6.851 0.030 1 295 30 30 PHE HZ H 6.822 0.030 1 296 30 30 PHE C C 172.096 0.300 1 297 30 30 PHE CA C 56.604 0.300 1 298 30 30 PHE CB C 41.267 0.300 1 299 30 30 PHE CD1 C 132.499 0.300 1 300 30 30 PHE CD2 C 132.499 0.300 1 301 30 30 PHE CE1 C 130.412 0.300 1 302 30 30 PHE CE2 C 130.412 0.300 1 303 30 30 PHE CZ C 127.990 0.300 1 304 30 30 PHE N N 115.415 0.300 1 305 31 31 ASN H H 8.786 0.030 1 306 31 31 ASN HA H 5.277 0.030 1 307 31 31 ASN HB2 H 3.054 0.030 2 308 31 31 ASN HB3 H 2.753 0.030 2 309 31 31 ASN HD21 H 7.363 0.030 2 310 31 31 ASN HD22 H 6.858 0.030 2 311 31 31 ASN C C 174.784 0.300 1 312 31 31 ASN CA C 51.080 0.300 1 313 31 31 ASN CB C 41.505 0.300 1 314 31 31 ASN N N 119.072 0.300 1 315 31 31 ASN ND2 N 111.019 0.300 1 316 32 32 ILE H H 8.427 0.030 1 317 32 32 ILE HA H 5.885 0.030 1 318 32 32 ILE HB H 1.752 0.030 1 319 32 32 ILE HD1 H 0.467 0.030 1 320 32 32 ILE HG12 H 1.420 0.030 2 321 32 32 ILE HG13 H 0.978 0.030 2 322 32 32 ILE HG2 H 0.854 0.030 1 323 32 32 ILE C C 175.837 0.300 1 324 32 32 ILE CA C 58.701 0.300 1 325 32 32 ILE CB C 43.064 0.300 1 326 32 32 ILE CD1 C 14.299 0.300 1 327 32 32 ILE CG1 C 25.336 0.300 1 328 32 32 ILE CG2 C 19.404 0.300 1 329 32 32 ILE N N 111.900 0.300 1 330 33 33 VAL H H 9.210 0.030 1 331 33 33 VAL HA H 4.695 0.030 1 332 33 33 VAL HB H 2.153 0.030 1 333 33 33 VAL HG1 H 0.942 0.030 1 334 33 33 VAL HG2 H 0.736 0.030 1 335 33 33 VAL C C 173.731 0.300 1 336 33 33 VAL CA C 59.648 0.300 1 337 33 33 VAL CB C 36.448 0.300 1 338 33 33 VAL CG1 C 21.125 0.300 2 339 33 33 VAL CG2 C 19.807 0.300 2 340 33 33 VAL N N 116.391 0.300 1 341 34 34 GLY H H 8.501 0.030 1 342 34 34 GLY HA2 H 5.052 0.030 2 343 34 34 GLY HA3 H 4.182 0.030 2 344 34 34 GLY C C 175.300 0.300 1 345 34 34 GLY CA C 44.218 0.300 1 346 34 34 GLY N N 108.303 0.300 1 347 35 35 GLY H H 8.432 0.030 1 348 35 35 GLY HA2 H 4.253 0.030 2 349 35 35 GLY HA3 H 4.093 0.030 2 350 35 35 GLY C C 175.544 0.300 1 351 35 35 GLY CA C 45.683 0.300 1 352 35 35 GLY N N 107.211 0.300 1 353 36 36 GLU H H 9.065 0.030 1 354 36 36 GLU HA H 4.506 0.030 1 355 36 36 GLU HB2 H 2.140 0.030 2 356 36 36 GLU HB3 H 2.026 0.030 2 357 36 36 GLU HG2 H 2.368 0.030 2 358 36 36 GLU HG3 H 2.330 0.030 2 359 36 36 GLU C C 176.964 0.300 1 360 36 36 GLU CA C 56.970 0.300 1 361 36 36 GLU CB C 30.123 0.300 1 362 36 36 GLU CG C 36.331 0.300 1 363 36 36 GLU N N 122.320 0.300 1 364 37 37 ASP H H 9.177 0.030 1 365 37 37 ASP HA H 4.579 0.030 1 366 37 37 ASP HB2 H 2.842 0.030 2 367 37 37 ASP HB3 H 2.665 0.030 2 368 37 37 ASP C C 176.529 0.300 1 369 37 37 ASP CA C 54.575 0.300 1 370 37 37 ASP CB C 40.858 0.300 1 371 37 37 ASP N N 120.989 0.300 1 372 38 38 GLY H H 8.496 0.030 1 373 38 38 GLY HA2 H 4.037 0.030 2 374 38 38 GLY HA3 H 3.737 0.030 2 375 38 38 GLY C C 175.320 0.300 1 376 38 38 GLY CA C 46.335 0.300 1 377 38 38 GLY N N 107.335 0.300 1 378 39 39 GLU H H 8.617 0.030 1 379 39 39 GLU HA H 4.408 0.030 1 380 39 39 GLU HB2 H 2.340 0.030 2 381 39 39 GLU HB3 H 2.186 0.030 2 382 39 39 GLU HG2 H 2.505 0.030 1 383 39 39 GLU HG3 H 2.505 0.030 1 384 39 39 GLU C C 176.257 0.300 1 385 39 39 GLU CA C 57.078 0.300 1 386 39 39 GLU CB C 29.779 0.300 1 387 39 39 GLU CG C 35.927 0.300 1 388 39 39 GLU N N 118.870 0.300 1 389 40 40 GLY H H 8.417 0.030 1 390 40 40 GLY HA2 H 4.277 0.030 2 391 40 40 GLY HA3 H 3.596 0.030 2 392 40 40 GLY C C 171.511 0.300 1 393 40 40 GLY CA C 44.539 0.300 1 394 40 40 GLY N N 107.884 0.300 1 395 41 41 ILE H H 7.963 0.030 1 396 41 41 ILE HA H 4.714 0.030 1 397 41 41 ILE HB H 1.950 0.030 1 398 41 41 ILE HD1 H 0.471 0.030 1 399 41 41 ILE HG12 H 1.663 0.030 2 400 41 41 ILE HG13 H 1.078 0.030 2 401 41 41 ILE HG2 H 0.663 0.030 1 402 41 41 ILE C C 174.859 0.300 1 403 41 41 ILE CA C 56.903 0.300 1 404 41 41 ILE CB C 37.392 0.300 1 405 41 41 ILE CD1 C 9.114 0.300 1 406 41 41 ILE CG1 C 26.178 0.300 1 407 41 41 ILE CG2 C 17.966 0.300 1 408 41 41 ILE N N 119.252 0.300 1 409 42 42 PHE H H 9.044 0.030 1 410 42 42 PHE HA H 5.612 0.030 1 411 42 42 PHE HB2 H 2.669 0.030 2 412 42 42 PHE HB3 H 2.520 0.030 2 413 42 42 PHE HD1 H 6.964 0.030 1 414 42 42 PHE HD2 H 6.964 0.030 1 415 42 42 PHE HE1 H 7.488 0.030 1 416 42 42 PHE HE2 H 7.488 0.030 1 417 42 42 PHE HZ H 7.648 0.030 1 418 42 42 PHE C C 175.714 0.300 1 419 42 42 PHE CA C 55.367 0.300 1 420 42 42 PHE CB C 44.176 0.300 1 421 42 42 PHE CD1 C 132.226 0.300 1 422 42 42 PHE CD2 C 132.226 0.300 1 423 42 42 PHE CE1 C 131.282 0.300 1 424 42 42 PHE CE2 C 131.282 0.300 1 425 42 42 PHE CZ C 129.864 0.300 1 426 42 42 PHE N N 123.184 0.300 1 427 43 43 VAL H H 9.005 0.030 1 428 43 43 VAL HA H 4.359 0.030 1 429 43 43 VAL HB H 2.304 0.030 1 430 43 43 VAL HG1 H 0.688 0.030 1 431 43 43 VAL HG2 H 0.654 0.030 1 432 43 43 VAL C C 175.511 0.300 1 433 43 43 VAL CA C 62.990 0.300 1 434 43 43 VAL CB C 31.712 0.300 1 435 43 43 VAL CG1 C 21.767 0.300 2 436 43 43 VAL CG2 C 21.833 0.300 2 437 43 43 VAL N N 121.292 0.300 1 438 44 44 SER H H 8.896 0.030 1 439 44 44 SER HA H 4.955 0.030 1 440 44 44 SER HB2 H 4.107 0.030 2 441 44 44 SER HB3 H 3.711 0.030 2 442 44 44 SER C C 175.613 0.300 1 443 44 44 SER CA C 57.610 0.300 1 444 44 44 SER CB C 65.613 0.300 1 445 44 44 SER N N 122.095 0.300 1 446 45 45 PHE H H 7.298 0.030 1 447 45 45 PHE HA H 4.587 0.030 1 448 45 45 PHE HB2 H 3.431 0.030 2 449 45 45 PHE HB3 H 2.576 0.030 2 450 45 45 PHE HD1 H 7.151 0.030 1 451 45 45 PHE HD2 H 7.151 0.030 1 452 45 45 PHE HE1 H 7.332 0.030 1 453 45 45 PHE HE2 H 7.332 0.030 1 454 45 45 PHE HZ H 7.382 0.030 1 455 45 45 PHE C C 172.924 0.300 1 456 45 45 PHE CA C 58.521 0.300 1 457 45 45 PHE CB C 42.955 0.300 1 458 45 45 PHE CD1 C 131.486 0.300 1 459 45 45 PHE CD2 C 131.486 0.300 1 460 45 45 PHE CE1 C 131.392 0.300 1 461 45 45 PHE CE2 C 131.392 0.300 1 462 45 45 PHE CZ C 129.942 0.300 1 463 45 45 PHE N N 121.760 0.300 1 464 46 46 ILE H H 7.961 0.030 1 465 46 46 ILE HA H 4.163 0.030 1 466 46 46 ILE HB H 1.579 0.030 1 467 46 46 ILE HD1 H 0.442 0.030 1 468 46 46 ILE HG12 H 1.261 0.030 2 469 46 46 ILE HG13 H 0.813 0.030 2 470 46 46 ILE HG2 H 0.688 0.030 1 471 46 46 ILE C C 173.576 0.300 1 472 46 46 ILE CA C 59.325 0.300 1 473 46 46 ILE CB C 38.899 0.300 1 474 46 46 ILE CD1 C 12.529 0.300 1 475 46 46 ILE CG1 C 27.308 0.300 1 476 46 46 ILE CG2 C 17.475 0.300 1 477 46 46 ILE N N 127.820 0.300 1 478 47 47 LEU H H 7.598 0.030 1 479 47 47 LEU HA H 4.036 0.030 1 480 47 47 LEU HB2 H 1.664 0.030 2 481 47 47 LEU HB3 H 1.450 0.030 2 482 47 47 LEU HD1 H 0.961 0.030 1 483 47 47 LEU HD2 H 1.076 0.030 1 484 47 47 LEU HG H 1.594 0.030 1 485 47 47 LEU C C 177.167 0.300 1 486 47 47 LEU CA C 55.011 0.300 1 487 47 47 LEU CB C 43.035 0.300 1 488 47 47 LEU CD1 C 26.073 0.300 2 489 47 47 LEU CD2 C 23.601 0.300 2 490 47 47 LEU CG C 27.212 0.300 1 491 47 47 LEU N N 127.785 0.300 1 492 48 48 ALA H H 9.015 0.030 1 493 48 48 ALA HA H 4.105 0.030 1 494 48 48 ALA HB H 1.382 0.030 1 495 48 48 ALA C C 179.204 0.300 1 496 48 48 ALA CA C 53.637 0.300 1 497 48 48 ALA CB C 17.800 0.300 1 498 48 48 ALA N N 134.454 0.300 1 499 49 49 GLY H H 10.603 0.030 1 500 49 49 GLY HA2 H 4.213 0.030 2 501 49 49 GLY HA3 H 3.639 0.030 2 502 49 49 GLY C C 174.485 0.300 1 503 49 49 GLY CA C 45.424 0.300 1 504 49 49 GLY N N 114.074 0.300 1 505 50 50 GLY H H 7.690 0.030 1 506 50 50 GLY HA2 H 4.545 0.030 2 507 50 50 GLY HA3 H 3.813 0.030 2 508 50 50 GLY C C 171.584 0.300 1 509 50 50 GLY CA C 45.280 0.300 1 510 50 50 GLY N N 106.259 0.300 1 511 51 51 PRO HA H 4.240 0.030 1 512 51 51 PRO HB2 H 2.667 0.030 2 513 51 51 PRO HB3 H 2.055 0.030 2 514 51 51 PRO HD2 H 3.808 0.030 2 515 51 51 PRO HD3 H 3.211 0.030 2 516 51 51 PRO HG2 H 2.559 0.030 2 517 51 51 PRO HG3 H 2.137 0.030 2 518 51 51 PRO C C 179.542 0.300 1 519 51 51 PRO CA C 66.074 0.300 1 520 51 51 PRO CB C 32.228 0.300 1 521 51 51 PRO CD C 49.400 0.300 1 522 51 51 PRO CG C 28.455 0.300 1 523 52 52 ALA H H 7.623 0.030 1 524 52 52 ALA HA H 4.149 0.030 1 525 52 52 ALA HB H 1.454 0.030 1 526 52 52 ALA C C 180.134 0.300 1 527 52 52 ALA CA C 54.881 0.300 1 528 52 52 ALA CB C 18.645 0.300 1 529 52 52 ALA N N 118.194 0.300 1 530 53 53 ASP H H 9.052 0.030 1 531 53 53 ASP HA H 4.242 0.030 1 532 53 53 ASP HB2 H 2.844 0.030 1 533 53 53 ASP HB3 H 2.844 0.030 1 534 53 53 ASP C C 177.941 0.300 1 535 53 53 ASP CA C 57.110 0.300 1 536 53 53 ASP CB C 43.056 0.300 1 537 53 53 ASP N N 124.072 0.300 1 538 54 54 LEU H H 8.426 0.030 1 539 54 54 LEU HA H 3.957 0.030 1 540 54 54 LEU HB2 H 1.709 0.030 2 541 54 54 LEU HB3 H 1.485 0.030 2 542 54 54 LEU HD1 H 0.814 0.030 1 543 54 54 LEU HD2 H 0.839 0.030 1 544 54 54 LEU HG H 1.682 0.030 1 545 54 54 LEU C C 179.510 0.300 1 546 54 54 LEU CA C 57.352 0.300 1 547 54 54 LEU CB C 41.341 0.300 1 548 54 54 LEU CD1 C 25.299 0.300 2 549 54 54 LEU CD2 C 22.389 0.300 2 550 54 54 LEU CG C 26.852 0.300 1 551 54 54 LEU N N 117.081 0.300 1 552 55 55 SER H H 7.702 0.030 1 553 55 55 SER HA H 4.360 0.030 1 554 55 55 SER HB2 H 4.143 0.030 2 555 55 55 SER HB3 H 3.919 0.030 2 556 55 55 SER C C 176.230 0.300 1 557 55 55 SER CA C 60.103 0.300 1 558 55 55 SER CB C 63.483 0.300 1 559 55 55 SER N N 112.552 0.300 1 560 56 56 GLY H H 7.503 0.030 1 561 56 56 GLY HA2 H 4.011 0.030 1 562 56 56 GLY HA3 H 4.011 0.030 1 563 56 56 GLY C C 174.805 0.300 1 564 56 56 GLY CA C 46.656 0.300 1 565 56 56 GLY N N 107.924 0.300 1 566 57 57 GLU H H 7.843 0.030 1 567 57 57 GLU HA H 4.259 0.030 1 568 57 57 GLU HB2 H 2.120 0.030 2 569 57 57 GLU HB3 H 1.622 0.030 2 570 57 57 GLU HG2 H 2.258 0.030 2 571 57 57 GLU HG3 H 2.137 0.030 2 572 57 57 GLU C C 175.727 0.300 1 573 57 57 GLU CA C 57.508 0.300 1 574 57 57 GLU CB C 32.721 0.300 1 575 57 57 GLU CG C 36.558 0.300 1 576 57 57 GLU N N 117.875 0.300 1 577 58 58 LEU H H 7.849 0.030 1 578 58 58 LEU HA H 4.183 0.030 1 579 58 58 LEU HB2 H 1.167 0.030 2 580 58 58 LEU HB3 H 1.018 0.030 2 581 58 58 LEU HD1 H 0.017 0.030 1 582 58 58 LEU HD2 H 0.380 0.030 1 583 58 58 LEU HG H 1.284 0.030 1 584 58 58 LEU C C 174.777 0.300 1 585 58 58 LEU CA C 54.071 0.300 1 586 58 58 LEU CB C 45.583 0.300 1 587 58 58 LEU CD1 C 25.093 0.300 2 588 58 58 LEU CD2 C 24.373 0.300 2 589 58 58 LEU CG C 26.718 0.300 1 590 58 58 LEU N N 120.637 0.300 1 591 59 59 ARG H H 9.346 0.030 1 592 59 59 ARG HA H 4.376 0.030 1 593 59 59 ARG HB2 H 1.509 0.030 2 594 59 59 ARG HB3 H 1.404 0.030 2 595 59 59 ARG HD2 H 2.407 0.030 2 596 59 59 ARG HD3 H 2.527 0.030 2 597 59 59 ARG HE H 6.697 0.030 1 598 59 59 ARG HG2 H 1.203 0.030 2 599 59 59 ARG HG3 H 1.346 0.030 2 600 59 59 ARG C C 175.082 0.300 1 601 59 59 ARG CA C 54.062 0.300 1 602 59 59 ARG CB C 33.956 0.300 1 603 59 59 ARG CD C 43.393 0.300 1 604 59 59 ARG CG C 25.505 0.300 1 605 59 59 ARG N N 123.193 0.300 1 606 59 59 ARG NE N 84.873 0.300 1 607 60 60 ARG H H 8.345 0.030 1 608 60 60 ARG HA H 3.717 0.030 1 609 60 60 ARG HB2 H 1.605 0.030 2 610 60 60 ARG HB3 H 1.511 0.030 2 611 60 60 ARG HD2 H 3.328 0.030 2 612 60 60 ARG HD3 H 3.272 0.030 2 613 60 60 ARG HE H 7.189 0.030 1 614 60 60 ARG HG2 H 1.183 0.030 2 615 60 60 ARG HG3 H 1.517 0.030 2 616 60 60 ARG C C 177.120 0.300 1 617 60 60 ARG CA C 57.485 0.300 1 618 60 60 ARG CB C 30.018 0.300 1 619 60 60 ARG CD C 43.953 0.300 1 620 60 60 ARG CG C 27.491 0.300 1 621 60 60 ARG N N 120.960 0.300 1 622 60 60 ARG NE N 84.601 0.300 1 623 61 61 GLY H H 8.631 0.030 1 624 61 61 GLY HA2 H 4.013 0.030 2 625 61 61 GLY HA3 H 2.658 0.030 2 626 61 61 GLY C C 173.365 0.300 1 627 61 61 GLY CA C 45.038 0.300 1 628 61 61 GLY N N 114.701 0.300 1 629 62 62 ASP H H 7.941 0.030 1 630 62 62 ASP HA H 5.020 0.030 1 631 62 62 ASP HB2 H 2.809 0.030 2 632 62 62 ASP HB3 H 1.912 0.030 2 633 62 62 ASP C C 175.646 0.300 1 634 62 62 ASP CA C 55.864 0.300 1 635 62 62 ASP CB C 41.835 0.300 1 636 62 62 ASP N N 119.383 0.300 1 637 63 63 ARG H H 9.337 0.030 1 638 63 63 ARG HA H 4.588 0.030 1 639 63 63 ARG HB2 H 1.868 0.030 2 640 63 63 ARG HB3 H 1.499 0.030 2 641 63 63 ARG HD2 H 3.175 0.030 2 642 63 63 ARG HD3 H 2.868 0.030 2 643 63 63 ARG HE H 6.741 0.030 1 644 63 63 ARG HG2 H 1.000 0.030 2 645 63 63 ARG HG3 H 0.883 0.030 2 646 63 63 ARG C C 176.468 0.300 1 647 63 63 ARG CA C 54.097 0.300 1 648 63 63 ARG CB C 32.347 0.300 1 649 63 63 ARG CD C 44.541 0.300 1 650 63 63 ARG CG C 27.181 0.300 1 651 63 63 ARG N N 124.037 0.300 1 652 63 63 ARG NE N 82.850 0.300 1 653 64 64 ILE H H 8.693 0.030 1 654 64 64 ILE HA H 3.928 0.030 1 655 64 64 ILE HB H 1.577 0.030 1 656 64 64 ILE HD1 H 0.558 0.030 1 657 64 64 ILE HG12 H 1.299 0.030 2 658 64 64 ILE HG13 H 0.907 0.030 2 659 64 64 ILE HG2 H 0.669 0.030 1 660 64 64 ILE C C 174.567 0.300 1 661 64 64 ILE CA C 60.532 0.300 1 662 64 64 ILE CB C 37.089 0.300 1 663 64 64 ILE CD1 C 11.728 0.300 1 664 64 64 ILE CG1 C 27.052 0.300 1 665 64 64 ILE CG2 C 18.478 0.300 1 666 64 64 ILE N N 126.285 0.300 1 667 65 65 LEU H H 9.263 0.030 1 668 65 65 LEU HA H 4.238 0.030 1 669 65 65 LEU HB2 H 1.526 0.030 2 670 65 65 LEU HB3 H 1.367 0.030 2 671 65 65 LEU HD1 H 0.786 0.030 1 672 65 65 LEU HD2 H 0.668 0.030 1 673 65 65 LEU HG H 1.536 0.030 1 674 65 65 LEU C C 177.791 0.300 1 675 65 65 LEU CA C 55.605 0.300 1 676 65 65 LEU CB C 41.578 0.300 1 677 65 65 LEU CD1 C 25.093 0.300 2 678 65 65 LEU CD2 C 21.659 0.300 2 679 65 65 LEU CG C 26.932 0.300 1 680 65 65 LEU N N 127.511 0.300 1 681 66 66 SER H H 7.707 0.030 1 682 66 66 SER HA H 5.147 0.030 1 683 66 66 SER HB2 H 3.808 0.030 2 684 66 66 SER HB3 H 3.354 0.030 2 685 66 66 SER C C 173.012 0.300 1 686 66 66 SER CA C 57.511 0.300 1 687 66 66 SER CB C 65.098 0.300 1 688 66 66 SER N N 110.130 0.300 1 689 67 67 VAL H H 7.881 0.030 1 690 67 67 VAL HA H 4.633 0.030 1 691 67 67 VAL HB H 1.669 0.030 1 692 67 67 VAL HG1 H 0.778 0.030 1 693 67 67 VAL HG2 H 0.723 0.030 1 694 67 67 VAL C C 174.825 0.300 1 695 67 67 VAL CA C 60.796 0.300 1 696 67 67 VAL CB C 35.320 0.300 1 697 67 67 VAL CG1 C 22.628 0.300 2 698 67 67 VAL CG2 C 20.970 0.300 2 699 67 67 VAL N N 118.636 0.300 1 700 68 68 ASN H H 9.889 0.030 1 701 68 68 ASN HA H 4.455 0.030 1 702 68 68 ASN HB2 H 3.263 0.030 2 703 68 68 ASN HB3 H 2.912 0.030 2 704 68 68 ASN HD21 H 7.900 0.030 2 705 68 68 ASN HD22 H 6.961 0.030 2 706 68 68 ASN C C 174.845 0.300 1 707 68 68 ASN CA C 54.141 0.300 1 708 68 68 ASN CB C 36.413 0.300 1 709 68 68 ASN N N 128.746 0.300 1 710 68 68 ASN ND2 N 111.227 0.300 1 711 69 69 GLY H H 8.583 0.030 1 712 69 69 GLY HA2 H 4.138 0.030 2 713 69 69 GLY HA3 H 3.568 0.030 2 714 69 69 GLY C C 173.963 0.300 1 715 69 69 GLY CA C 45.277 0.300 1 716 69 69 GLY N N 103.098 0.300 1 717 70 70 VAL H H 8.210 0.030 1 718 70 70 VAL HA H 3.900 0.030 1 719 70 70 VAL HB H 2.191 0.030 1 720 70 70 VAL HG1 H 0.975 0.030 1 721 70 70 VAL HG2 H 0.812 0.030 1 722 70 70 VAL C C 175.456 0.300 1 723 70 70 VAL CA C 62.520 0.300 1 724 70 70 VAL CB C 31.831 0.300 1 725 70 70 VAL CG1 C 21.443 0.300 2 726 70 70 VAL CG2 C 20.842 0.300 2 727 70 70 VAL N N 124.121 0.300 1 728 71 71 ASN H H 8.752 0.030 1 729 71 71 ASN HA H 4.402 0.030 1 730 71 71 ASN HB2 H 2.959 0.030 1 731 71 71 ASN HB3 H 2.959 0.030 1 732 71 71 ASN HD21 H 7.664 0.030 2 733 71 71 ASN HD22 H 6.936 0.030 2 734 71 71 ASN C C 175.911 0.300 1 735 71 71 ASN CA C 54.217 0.300 1 736 71 71 ASN CB C 38.387 0.300 1 737 71 71 ASN N N 126.192 0.300 1 738 71 71 ASN ND2 N 112.204 0.300 1 739 72 72 LEU H H 8.839 0.030 1 740 72 72 LEU HA H 4.612 0.030 1 741 72 72 LEU HB2 H 1.697 0.030 2 742 72 72 LEU HB3 H 1.052 0.030 2 743 72 72 LEU HD1 H 0.685 0.030 1 744 72 72 LEU HD2 H 0.595 0.030 1 745 72 72 LEU HG H 1.664 0.030 1 746 72 72 LEU C C 177.954 0.300 1 747 72 72 LEU CA C 53.155 0.300 1 748 72 72 LEU CB C 43.064 0.300 1 749 72 72 LEU CD1 C 26.465 0.300 2 750 72 72 LEU CD2 C 23.111 0.300 2 751 72 72 LEU CG C 26.436 0.300 1 752 72 72 LEU N N 127.989 0.300 1 753 73 73 ARG H H 8.456 0.030 1 754 73 73 ARG HA H 3.923 0.030 1 755 73 73 ARG HB2 H 1.872 0.030 2 756 73 73 ARG HB3 H 1.786 0.030 2 757 73 73 ARG HD2 H 3.250 0.030 1 758 73 73 ARG HD3 H 3.250 0.030 1 759 73 73 ARG HE H 7.459 0.030 1 760 73 73 ARG HG2 H 1.797 0.030 2 761 73 73 ARG HG3 H 1.520 0.030 2 762 73 73 ARG C C 177.324 0.300 1 763 73 73 ARG CA C 61.207 0.300 1 764 73 73 ARG CB C 30.198 0.300 1 765 73 73 ARG CD C 43.157 0.300 1 766 73 73 ARG CG C 29.239 0.300 1 767 73 73 ARG N N 123.490 0.300 1 768 73 73 ARG NE N 84.511 0.300 1 769 74 74 ASN H H 8.541 0.030 1 770 74 74 ASN HA H 5.064 0.030 1 771 74 74 ASN HB2 H 3.034 0.030 2 772 74 74 ASN HB3 H 2.443 0.030 2 773 74 74 ASN HD21 H 7.681 0.030 2 774 74 74 ASN HD22 H 6.877 0.030 2 775 74 74 ASN C C 174.430 0.300 1 776 74 74 ASN CA C 51.679 0.300 1 777 74 74 ASN CB C 39.370 0.300 1 778 74 74 ASN N N 113.858 0.300 1 779 74 74 ASN ND2 N 111.665 0.300 1 780 75 75 ALA H H 6.678 0.030 1 781 75 75 ALA HA H 4.462 0.030 1 782 75 75 ALA HB H 1.440 0.030 1 783 75 75 ALA C C 177.459 0.300 1 784 75 75 ALA CA C 51.924 0.300 1 785 75 75 ALA CB C 21.416 0.300 1 786 75 75 ALA N N 121.823 0.300 1 787 76 76 THR H H 8.090 0.030 1 788 76 76 THR HA H 4.936 0.030 1 789 76 76 THR HB H 4.836 0.030 1 790 76 76 THR HG2 H 1.367 0.030 1 791 76 76 THR C C 176.149 0.300 1 792 76 76 THR CA C 60.288 0.300 1 793 76 76 THR CB C 71.125 0.300 1 794 76 76 THR CG2 C 21.976 0.300 1 795 76 76 THR N N 108.371 0.300 1 796 77 77 HIS H H 9.102 0.030 1 797 77 77 HIS HA H 3.852 0.030 1 798 77 77 HIS HB2 H 3.499 0.030 2 799 77 77 HIS HB3 H 3.229 0.030 2 800 77 77 HIS HD2 H 6.996 0.030 1 801 77 77 HIS HE1 H 8.206 0.030 1 802 77 77 HIS C C 177.133 0.300 1 803 77 77 HIS CA C 61.024 0.300 1 804 77 77 HIS CB C 28.913 0.300 1 805 77 77 HIS CD2 C 120.017 0.300 1 806 77 77 HIS CE1 C 136.913 0.300 1 807 77 77 HIS N N 120.973 0.300 1 808 78 78 GLU H H 8.855 0.030 1 809 78 78 GLU HA H 4.062 0.030 1 810 78 78 GLU HB2 H 2.104 0.030 2 811 78 78 GLU HB3 H 1.973 0.030 2 812 78 78 GLU HG2 H 2.343 0.030 1 813 78 78 GLU HG3 H 2.343 0.030 1 814 78 78 GLU C C 179.740 0.300 1 815 78 78 GLU CA C 59.793 0.300 1 816 78 78 GLU CB C 29.289 0.300 1 817 78 78 GLU CG C 36.362 0.300 1 818 78 78 GLU N N 117.542 0.300 1 819 79 79 GLN H H 7.760 0.030 1 820 79 79 GLN HA H 4.033 0.030 1 821 79 79 GLN HB2 H 2.359 0.030 2 822 79 79 GLN HB3 H 1.850 0.030 2 823 79 79 GLN HE21 H 7.463 0.030 2 824 79 79 GLN HE22 H 6.862 0.030 2 825 79 79 GLN HG2 H 2.479 0.030 2 826 79 79 GLN HG3 H 2.421 0.030 2 827 79 79 GLN C C 179.706 0.300 1 828 79 79 GLN CA C 58.332 0.300 1 829 79 79 GLN CB C 28.730 0.300 1 830 79 79 GLN CG C 34.302 0.300 1 831 79 79 GLN N N 119.598 0.300 1 832 79 79 GLN NE2 N 110.622 0.300 1 833 80 80 ALA H H 8.336 0.030 1 834 80 80 ALA HA H 3.970 0.030 1 835 80 80 ALA HB H 1.277 0.030 1 836 80 80 ALA C C 178.104 0.300 1 837 80 80 ALA CA C 54.893 0.300 1 838 80 80 ALA CB C 19.525 0.300 1 839 80 80 ALA N N 122.888 0.300 1 840 81 81 ALA H H 8.704 0.030 1 841 81 81 ALA HA H 3.914 0.030 1 842 81 81 ALA HB H 1.376 0.030 1 843 81 81 ALA C C 180.990 0.300 1 844 81 81 ALA CA C 55.126 0.300 1 845 81 81 ALA CB C 17.778 0.300 1 846 81 81 ALA N N 119.853 0.300 1 847 82 82 ALA H H 8.020 0.030 1 848 82 82 ALA HA H 4.104 0.030 1 849 82 82 ALA HB H 1.469 0.030 1 850 82 82 ALA C C 179.788 0.300 1 851 82 82 ALA CA C 55.012 0.300 1 852 82 82 ALA CB C 18.015 0.300 1 853 82 82 ALA N N 120.361 0.300 1 854 83 83 ALA H H 7.811 0.030 1 855 83 83 ALA HA H 4.048 0.030 1 856 83 83 ALA HB H 1.445 0.030 1 857 83 83 ALA C C 180.541 0.300 1 858 83 83 ALA CA C 54.946 0.300 1 859 83 83 ALA CB C 17.791 0.300 1 860 83 83 ALA N N 120.761 0.300 1 861 84 84 LEU H H 7.911 0.030 1 862 84 84 LEU HA H 3.855 0.030 1 863 84 84 LEU HB2 H 1.859 0.030 2 864 84 84 LEU HB3 H 1.333 0.030 2 865 84 84 LEU HD1 H 0.729 0.030 1 866 84 84 LEU HD2 H 0.783 0.030 1 867 84 84 LEU HG H 1.690 0.030 1 868 84 84 LEU C C 178.715 0.300 1 869 84 84 LEU CA C 57.904 0.300 1 870 84 84 LEU CB C 41.516 0.300 1 871 84 84 LEU CD1 C 25.390 0.300 2 872 84 84 LEU CD2 C 24.084 0.300 2 873 84 84 LEU CG C 27.395 0.300 1 874 84 84 LEU N N 116.963 0.300 1 875 85 85 LYS H H 7.871 0.030 1 876 85 85 LYS HA H 4.024 0.030 1 877 85 85 LYS HB2 H 1.913 0.030 1 878 85 85 LYS HB3 H 1.913 0.030 1 879 85 85 LYS HD2 H 1.672 0.030 1 880 85 85 LYS HD3 H 1.672 0.030 1 881 85 85 LYS HE2 H 2.957 0.030 1 882 85 85 LYS HE3 H 2.957 0.030 1 883 85 85 LYS HG2 H 1.511 0.030 2 884 85 85 LYS HG3 H 1.425 0.030 2 885 85 85 LYS C C 178.315 0.300 1 886 85 85 LYS CA C 59.053 0.300 1 887 85 85 LYS CB C 32.730 0.300 1 888 85 85 LYS CD C 29.287 0.300 1 889 85 85 LYS CE C 42.125 0.300 1 890 85 85 LYS CG C 25.098 0.300 1 891 85 85 LYS N N 119.932 0.300 1 892 86 86 ARG H H 7.867 0.030 1 893 86 86 ARG HA H 4.208 0.030 1 894 86 86 ARG HB2 H 1.917 0.030 2 895 86 86 ARG HB3 H 1.846 0.030 2 896 86 86 ARG HD2 H 3.179 0.030 1 897 86 86 ARG HD3 H 3.179 0.030 1 898 86 86 ARG HG2 H 1.739 0.030 1 899 86 86 ARG HG3 H 1.739 0.030 1 900 86 86 ARG C C 176.508 0.300 1 901 86 86 ARG CA C 56.734 0.300 1 902 86 86 ARG CB C 30.453 0.300 1 903 86 86 ARG CD C 43.561 0.300 1 904 86 86 ARG CG C 27.613 0.300 1 905 86 86 ARG N N 116.510 0.300 1 906 87 87 ALA H H 7.116 0.030 1 907 87 87 ALA HA H 4.112 0.030 1 908 87 87 ALA HB H 1.457 0.030 1 909 87 87 ALA C C 177.140 0.300 1 910 87 87 ALA CA C 53.324 0.300 1 911 87 87 ALA CB C 19.955 0.300 1 912 87 87 ALA N N 121.324 0.300 1 913 88 88 GLY H H 7.942 0.030 1 914 88 88 GLY HA2 H 3.962 0.030 1 915 88 88 GLY HA3 H 3.962 0.030 1 916 88 88 GLY C C 172.910 0.300 1 917 88 88 GLY CA C 44.536 0.300 1 918 88 88 GLY N N 106.398 0.300 1 919 89 89 GLN H H 8.257 0.030 1 920 89 89 GLN HA H 4.021 0.030 1 921 89 89 GLN HB2 H 2.146 0.030 2 922 89 89 GLN HB3 H 2.070 0.030 2 923 89 89 GLN HE21 H 7.578 0.030 2 924 89 89 GLN HE22 H 6.953 0.030 2 925 89 89 GLN HG2 H 2.505 0.030 2 926 89 89 GLN HG3 H 2.424 0.030 2 927 89 89 GLN C C 176.325 0.300 1 928 89 89 GLN CA C 58.374 0.300 1 929 89 89 GLN CB C 29.565 0.300 1 930 89 89 GLN CG C 34.271 0.300 1 931 89 89 GLN N N 116.560 0.300 1 932 89 89 GLN NE2 N 112.233 0.300 1 933 90 90 SER H H 7.787 0.030 1 934 90 90 SER HA H 4.915 0.030 1 935 90 90 SER HB2 H 3.687 0.030 2 936 90 90 SER HB3 H 3.602 0.030 2 937 90 90 SER C C 173.623 0.300 1 938 90 90 SER CA C 56.844 0.300 1 939 90 90 SER CB C 63.741 0.300 1 940 90 90 SER N N 112.166 0.300 1 941 91 91 VAL H H 9.033 0.030 1 942 91 91 VAL HA H 4.545 0.030 1 943 91 91 VAL HB H 1.935 0.030 1 944 91 91 VAL HG1 H 0.866 0.030 1 945 91 91 VAL HG2 H 0.824 0.030 1 946 91 91 VAL C C 174.044 0.300 1 947 91 91 VAL CA C 61.151 0.300 1 948 91 91 VAL CB C 34.222 0.300 1 949 91 91 VAL CG1 C 22.425 0.300 2 950 91 91 VAL CG2 C 21.951 0.300 2 951 91 91 VAL N N 126.666 0.300 1 952 92 92 THR H H 8.978 0.030 1 953 92 92 THR HA H 4.845 0.030 1 954 92 92 THR HB H 4.062 0.030 1 955 92 92 THR HG2 H 1.000 0.030 1 956 92 92 THR C C 174.574 0.300 1 957 92 92 THR CA C 62.030 0.300 1 958 92 92 THR CB C 68.909 0.300 1 959 92 92 THR CG2 C 21.392 0.300 1 960 92 92 THR N N 123.076 0.300 1 961 93 93 ILE H H 9.887 0.030 1 962 93 93 ILE HA H 4.734 0.030 1 963 93 93 ILE HB H 1.707 0.030 1 964 93 93 ILE HD1 H 0.763 0.030 1 965 93 93 ILE HG12 H 1.613 0.030 2 966 93 93 ILE HG13 H 0.987 0.030 2 967 93 93 ILE HG2 H 0.779 0.030 1 968 93 93 ILE C C 174.505 0.300 1 969 93 93 ILE CA C 59.502 0.300 1 970 93 93 ILE CB C 41.768 0.300 1 971 93 93 ILE CD1 C 14.387 0.300 1 972 93 93 ILE CG1 C 28.782 0.300 1 973 93 93 ILE CG2 C 17.712 0.300 1 974 93 93 ILE N N 132.657 0.300 1 975 94 94 VAL H H 8.047 0.030 1 976 94 94 VAL HA H 5.110 0.030 1 977 94 94 VAL HB H 2.016 0.030 1 978 94 94 VAL HG1 H 0.738 0.030 1 979 94 94 VAL HG2 H 0.763 0.030 1 980 94 94 VAL C C 175.082 0.300 1 981 94 94 VAL CA C 61.512 0.300 1 982 94 94 VAL CB C 31.494 0.300 1 983 94 94 VAL CG1 C 21.093 0.300 2 984 94 94 VAL CG2 C 21.579 0.300 2 985 94 94 VAL N N 125.862 0.300 1 986 95 95 ALA H H 8.932 0.030 1 987 95 95 ALA HA H 5.512 0.030 1 988 95 95 ALA HB H 0.968 0.030 1 989 95 95 ALA C C 175.008 0.300 1 990 95 95 ALA CA C 49.556 0.300 1 991 95 95 ALA CB C 23.377 0.300 1 992 95 95 ALA N N 130.285 0.300 1 993 96 96 GLN H H 8.913 0.030 1 994 96 96 GLN HA H 4.559 0.030 1 995 96 96 GLN HB2 H 1.935 0.030 2 996 96 96 GLN HB3 H 1.589 0.030 2 997 96 96 GLN HE21 H 7.759 0.030 2 998 96 96 GLN HE22 H 7.029 0.030 2 999 96 96 GLN HG2 H 2.130 0.030 1 1000 96 96 GLN HG3 H 2.130 0.030 1 1001 96 96 GLN C C 173.521 0.300 1 1002 96 96 GLN CA C 54.407 0.300 1 1003 96 96 GLN CB C 33.129 0.300 1 1004 96 96 GLN CG C 33.252 0.300 1 1005 96 96 GLN N N 118.355 0.300 1 1006 96 96 GLN NE2 N 111.159 0.300 1 1007 97 97 TYR H H 9.157 0.030 1 1008 97 97 TYR HA H 5.044 0.030 1 1009 97 97 TYR HB2 H 3.148 0.030 2 1010 97 97 TYR HB3 H 2.936 0.030 2 1011 97 97 TYR HD1 H 6.947 0.030 1 1012 97 97 TYR HD2 H 6.947 0.030 1 1013 97 97 TYR HE1 H 6.905 0.030 1 1014 97 97 TYR HE2 H 6.905 0.030 1 1015 97 97 TYR C C 174.940 0.300 1 1016 97 97 TYR CA C 59.305 0.300 1 1017 97 97 TYR CB C 38.028 0.300 1 1018 97 97 TYR CD1 C 132.617 0.300 1 1019 97 97 TYR CD2 C 132.617 0.300 1 1020 97 97 TYR CE1 C 118.191 0.300 1 1021 97 97 TYR CE2 C 118.191 0.300 1 1022 97 97 TYR N N 130.785 0.300 1 1023 98 98 ARG H H 7.957 0.030 1 1024 98 98 ARG HA H 4.887 0.030 1 1025 98 98 ARG HB2 H 2.091 0.030 2 1026 98 98 ARG HB3 H 2.002 0.030 2 1027 98 98 ARG HD2 H 3.224 0.030 1 1028 98 98 ARG HD3 H 3.224 0.030 1 1029 98 98 ARG HE H 7.339 0.030 1 1030 98 98 ARG HG2 H 1.601 0.030 2 1031 98 98 ARG HG3 H 1.579 0.030 2 1032 98 98 ARG C C 173.520 0.300 1 1033 98 98 ARG CA C 52.723 0.300 1 1034 98 98 ARG CB C 31.900 0.300 1 1035 98 98 ARG CD C 43.526 0.300 1 1036 98 98 ARG CG C 26.374 0.300 1 1037 98 98 ARG N N 127.843 0.300 1 1038 98 98 ARG NE N 84.200 0.300 1 1039 99 99 PRO HA H 4.054 0.030 1 1040 99 99 PRO HB2 H 1.981 0.030 2 1041 99 99 PRO HB3 H 1.938 0.030 2 1042 99 99 PRO HD2 H 3.270 0.030 2 1043 99 99 PRO HD3 H 1.508 0.030 2 1044 99 99 PRO HG2 H 1.858 0.030 2 1045 99 99 PRO HG3 H 1.635 0.030 2 1046 99 99 PRO C C 178.766 0.300 1 1047 99 99 PRO CA C 65.125 0.300 1 1048 99 99 PRO CB C 31.094 0.300 1 1049 99 99 PRO CD C 49.459 0.300 1 1050 99 99 PRO CG C 27.498 0.300 1 1051 100 100 GLU H H 9.422 0.030 1 1052 100 100 GLU HA H 4.186 0.030 1 1053 100 100 GLU HB2 H 2.038 0.030 1 1054 100 100 GLU HB3 H 2.038 0.030 1 1055 100 100 GLU HG2 H 2.356 0.030 1 1056 100 100 GLU HG3 H 2.356 0.030 1 1057 100 100 GLU C C 179.034 0.300 1 1058 100 100 GLU CA C 59.453 0.300 1 1059 100 100 GLU CB C 27.447 0.300 1 1060 100 100 GLU CG C 36.217 0.300 1 1061 100 100 GLU N N 120.128 0.300 1 1062 101 101 GLU H H 7.655 0.030 1 1063 101 101 GLU HA H 4.129 0.030 1 1064 101 101 GLU HB2 H 2.381 0.030 1 1065 101 101 GLU HB3 H 2.381 0.030 1 1066 101 101 GLU HG2 H 2.415 0.030 1 1067 101 101 GLU HG3 H 2.415 0.030 1 1068 101 101 GLU C C 177.812 0.300 1 1069 101 101 GLU CA C 58.464 0.300 1 1070 101 101 GLU CB C 30.514 0.300 1 1071 101 101 GLU CG C 37.177 0.300 1 1072 101 101 GLU N N 120.774 0.300 1 1073 102 102 TYR H H 7.845 0.030 1 1074 102 102 TYR HA H 3.471 0.030 1 1075 102 102 TYR HB2 H 2.907 0.030 2 1076 102 102 TYR HB3 H 2.782 0.030 2 1077 102 102 TYR HD1 H 6.712 0.030 1 1078 102 102 TYR HD2 H 6.712 0.030 1 1079 102 102 TYR HE1 H 6.511 0.030 1 1080 102 102 TYR HE2 H 6.511 0.030 1 1081 102 102 TYR C C 176.074 0.300 1 1082 102 102 TYR CA C 58.805 0.300 1 1083 102 102 TYR CB C 38.929 0.300 1 1084 102 102 TYR CD1 C 132.797 0.300 1 1085 102 102 TYR CD2 C 132.797 0.300 1 1086 102 102 TYR CE1 C 118.185 0.300 1 1087 102 102 TYR CE2 C 118.185 0.300 1 1088 102 102 TYR N N 118.952 0.300 1 1089 103 103 SER H H 7.605 0.030 1 1090 103 103 SER HA H 4.003 0.030 1 1091 103 103 SER HB2 H 3.860 0.030 1 1092 103 103 SER HB3 H 3.860 0.030 1 1093 103 103 SER C C 175.694 0.300 1 1094 103 103 SER CA C 61.231 0.300 1 1095 103 103 SER CB C 62.992 0.300 1 1096 103 103 SER N N 112.698 0.300 1 1097 104 104 ARG H H 7.142 0.030 1 1098 104 104 ARG HA H 3.960 0.030 1 1099 104 104 ARG HB2 H 1.515 0.030 2 1100 104 104 ARG HB3 H 1.412 0.030 2 1101 104 104 ARG HD2 H 2.922 0.030 1 1102 104 104 ARG HD3 H 2.922 0.030 1 1103 104 104 ARG HE H 7.137 0.030 1 1104 104 104 ARG HG2 H 1.146 0.030 2 1105 104 104 ARG HG3 H 0.882 0.030 2 1106 104 104 ARG C C 176.957 0.300 1 1107 104 104 ARG CA C 57.840 0.300 1 1108 104 104 ARG CB C 29.507 0.300 1 1109 104 104 ARG CD C 43.385 0.300 1 1110 104 104 ARG CG C 26.306 0.300 1 1111 104 104 ARG N N 119.764 0.300 1 1112 104 104 ARG NE N 84.745 0.300 1 1113 105 105 PHE H H 7.766 0.030 1 1114 105 105 PHE HA H 4.349 0.030 1 1115 105 105 PHE HB2 H 3.079 0.030 2 1116 105 105 PHE HB3 H 2.349 0.030 2 1117 105 105 PHE HD1 H 7.030 0.030 1 1118 105 105 PHE HD2 H 7.030 0.030 1 1119 105 105 PHE HE1 H 7.138 0.030 1 1120 105 105 PHE HE2 H 7.138 0.030 1 1121 105 105 PHE HZ H 7.301 0.030 1 1122 105 105 PHE C C 176.447 0.300 1 1123 105 105 PHE CA C 58.798 0.300 1 1124 105 105 PHE CB C 38.768 0.300 1 1125 105 105 PHE CD1 C 131.570 0.300 1 1126 105 105 PHE CD2 C 131.570 0.300 1 1127 105 105 PHE CE1 C 131.369 0.300 1 1128 105 105 PHE CE2 C 131.369 0.300 1 1129 105 105 PHE CZ C 129.052 0.300 1 1130 105 105 PHE N N 117.965 0.300 1 1131 106 106 GLU H H 7.497 0.030 1 1132 106 106 GLU HA H 4.143 0.030 1 1133 106 106 GLU HB2 H 1.927 0.030 2 1134 106 106 GLU HB3 H 1.805 0.030 2 1135 106 106 GLU HG2 H 2.099 0.030 1 1136 106 106 GLU HG3 H 2.099 0.030 1 1137 106 106 GLU C C 176.400 0.300 1 1138 106 106 GLU CA C 57.072 0.300 1 1139 106 106 GLU CB C 30.433 0.300 1 1140 106 106 GLU CG C 36.430 0.300 1 1141 106 106 GLU N N 120.258 0.300 1 1142 107 107 SER H H 8.122 0.030 1 1143 107 107 SER HA H 4.463 0.030 1 1144 107 107 SER HB2 H 3.891 0.030 2 1145 107 107 SER HB3 H 3.858 0.030 2 1146 107 107 SER C C 174.648 0.300 1 1147 107 107 SER CA C 58.462 0.300 1 1148 107 107 SER CB C 63.848 0.300 1 1149 107 107 SER N N 115.683 0.300 1 1150 108 108 SER H H 8.220 0.030 1 1151 108 108 SER HA H 4.505 0.030 1 1152 108 108 SER HB2 H 3.891 0.030 1 1153 108 108 SER HB3 H 3.891 0.030 1 1154 108 108 SER C C 174.547 0.300 1 1155 108 108 SER CA C 58.486 0.300 1 1156 108 108 SER CB C 63.960 0.300 1 1157 108 108 SER N N 117.628 0.300 1 1158 109 109 GLY H H 8.181 0.030 1 1159 109 109 GLY HA2 H 4.142 0.030 2 1160 109 109 GLY HA3 H 4.085 0.030 2 1161 109 109 GLY C C 171.773 0.300 1 1162 109 109 GLY CA C 44.739 0.300 1 1163 109 109 GLY N N 110.553 0.300 1 1164 110 110 PRO HA H 4.477 0.030 1 1165 110 110 PRO HB2 H 2.270 0.030 2 1166 110 110 PRO HB3 H 1.953 0.030 2 1167 110 110 PRO HD2 H 3.623 0.030 1 1168 110 110 PRO HD3 H 3.623 0.030 1 1169 110 110 PRO HG2 H 1.994 0.030 1 1170 110 110 PRO HG3 H 1.994 0.030 1 1171 110 110 PRO C C 177.417 0.300 1 1172 110 110 PRO CA C 63.250 0.300 1 1173 110 110 PRO CB C 32.188 0.300 1 1174 110 110 PRO CD C 49.749 0.300 1 1175 110 110 PRO CG C 27.163 0.300 1 1176 111 111 SER H H 8.517 0.030 1 1177 111 111 SER HA H 4.492 0.030 1 1178 111 111 SER HB2 H 3.897 0.030 1 1179 111 111 SER HB3 H 3.897 0.030 1 1180 111 111 SER C C 174.642 0.300 1 1181 111 111 SER CA C 58.345 0.300 1 1182 111 111 SER CB C 63.809 0.300 1 1183 111 111 SER N N 116.350 0.300 1 1184 112 112 SER H H 8.324 0.030 1 1185 112 112 SER HA H 4.483 0.030 1 1186 112 112 SER HB2 H 3.899 0.030 1 1187 112 112 SER HB3 H 3.899 0.030 1 1188 112 112 SER C C 173.908 0.300 1 1189 112 112 SER CA C 58.361 0.300 1 1190 112 112 SER CB C 64.026 0.300 1 1191 112 112 SER N N 117.840 0.300 1 1192 113 113 GLY H H 8.031 0.030 1 1193 113 113 GLY HA2 H 3.776 0.030 1 1194 113 113 GLY HA3 H 3.776 0.030 1 1195 113 113 GLY C C 178.949 0.300 1 1196 113 113 GLY CA C 46.216 0.300 1 1197 113 113 GLY N N 116.840 0.300 1 stop_ save_