data_11389 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Solution structure of the ARID domain of JARID1D protein ; _BMRB_accession_number 11389 _BMRB_flat_file_name bmr11389.str _Entry_type original _Submission_date 2010-09-08 _Accession_date 2010-09-08 _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 Tanabe W. . . 2 Suzuki S. . . 3 Muto Y. . . 4 Inoue M. . . 5 Kigawa T. . . 6 Terada T. . . 7 Shirouzu M. . . 8 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" 596 "13C chemical shifts" 445 "15N chemical shifts" 95 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2011-09-07 original author . stop_ save_ ############################# # Citation for this entry # ############################# save_citation_1 _Saveframe_category entry_citation _Citation_full . _Citation_title 'Solution structure of the ARID domain of JARID1D protein' _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 Tanabe W. . . 2 Suzuki S. . . 3 Muto Y. . . 4 Inoue M. . . 5 Kigawa T. . . 6 Terada T. . . 7 Shirouzu M. . . 8 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 'Jumonji/ARID domain-containing protein 1D' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label 'ARID domain' $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 'ARID domain' _Molecular_mass . _Mol_thiol_state 'all free' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 100 _Mol_residue_sequence ; GSSGSSGTRVKLNYLDQIAK FWEIQGSSLKIPNVERKILD LYSLSKIVIEEGGYEAICKD RRWARVAQRLHYPPGKNIGS LLRSHYERIIYPYEMFQSGA ; loop_ _Residue_seq_code _Residue_label 1 GLY 2 SER 3 SER 4 GLY 5 SER 6 SER 7 GLY 8 THR 9 ARG 10 VAL 11 LYS 12 LEU 13 ASN 14 TYR 15 LEU 16 ASP 17 GLN 18 ILE 19 ALA 20 LYS 21 PHE 22 TRP 23 GLU 24 ILE 25 GLN 26 GLY 27 SER 28 SER 29 LEU 30 LYS 31 ILE 32 PRO 33 ASN 34 VAL 35 GLU 36 ARG 37 LYS 38 ILE 39 LEU 40 ASP 41 LEU 42 TYR 43 SER 44 LEU 45 SER 46 LYS 47 ILE 48 VAL 49 ILE 50 GLU 51 GLU 52 GLY 53 GLY 54 TYR 55 GLU 56 ALA 57 ILE 58 CYS 59 LYS 60 ASP 61 ARG 62 ARG 63 TRP 64 ALA 65 ARG 66 VAL 67 ALA 68 GLN 69 ARG 70 LEU 71 HIS 72 TYR 73 PRO 74 PRO 75 GLY 76 LYS 77 ASN 78 ILE 79 GLY 80 SER 81 LEU 82 LEU 83 ARG 84 SER 85 HIS 86 TYR 87 GLU 88 ARG 89 ILE 90 ILE 91 TYR 92 PRO 93 TYR 94 GLU 95 MET 96 PHE 97 GLN 98 SER 99 GLY 100 ALA stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2015-03-22 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 2YQE "Solution Structure Of The Arid Domain Of Jarid1d Protein" 100.00 100 100.00 100.00 1.22e-65 DBJ BAG64942 "unnamed protein product [Homo sapiens]" 93.00 888 100.00 100.00 6.80e-58 EMBL CAH90475 "hypothetical protein [Pongo abelii]" 93.00 1088 100.00 100.00 3.28e-57 GB AAC48699 "SMCY, partial [Equus caballus]" 93.00 345 97.85 100.00 3.04e-57 GB AAC50806 "SMCY [Homo sapiens]" 93.00 1539 100.00 100.00 1.02e-56 GB AAC51135 "SMCY, partial [Homo sapiens]" 93.00 457 100.00 100.00 1.06e-57 GB AAG00951 "SMCY [Homo sapiens]" 93.00 1539 100.00 100.00 9.40e-57 GB AAI32722 "Jumonji, AT rich interactive domain 1D [Homo sapiens]" 93.00 1539 100.00 100.00 9.40e-57 REF NP_001008975 "lysine-specific demethylase 5D [Pan troglodytes]" 93.00 1535 100.00 100.00 1.07e-56 REF NP_001140177 "lysine-specific demethylase 5D isoform 1 [Homo sapiens]" 93.00 1570 100.00 100.00 1.11e-56 REF NP_004644 "lysine-specific demethylase 5D isoform 2 [Homo sapiens]" 93.00 1539 100.00 100.00 9.40e-57 REF XP_005262617 "PREDICTED: lysine-specific demethylase 5D isoform X2 [Homo sapiens]" 93.00 1494 100.00 100.00 7.88e-57 REF XP_005262618 "PREDICTED: lysine-specific demethylase 5D isoform X3 [Homo sapiens]" 93.00 1462 100.00 100.00 7.59e-57 SP Q5XUN4 "RecName: Full=Lysine-specific demethylase 5D; AltName: Full=Histone demethylase JARID1D; AltName: Full=Jumonji/ARID domain-cont" 93.00 1535 100.00 100.00 1.07e-56 SP Q9BY66 "RecName: Full=Lysine-specific demethylase 5D; AltName: Full=Histocompatibility Y antigen; Short=H-Y; AltName: Full=Histone deme" 93.00 1539 100.00 100.00 9.40e-57 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 'recombinant technology' . . . . plasmid P060731-15 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Saveframe_category sample _Sample_type solution _Details ; 20mM {d-Tris-HCl(pH7.0);} 100mM {NaCl;} 1mM {d-DTT;} 0.02% {NaN3;} 90% H2O, 10% D2O ; loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $entity_1 . mM . d-Tris-HCl 20 mM 'natural abundance' NaCl 100 mM 'natural abundance' d-DTT 1 mM 'natural abundance' NaN3 0.02 % 'natural abundance' H2O 90 % . D2O 10 % . stop_ save_ ############################ # Computer software used # ############################ save_XWINNMR _Saveframe_category software _Name XWINNMR _Version 3.5 loop_ _Vendor _Address _Electronic_address Bruker . . stop_ loop_ _Task collection stop_ _Details . save_ save_NMRPipe _Saveframe_category software _Name NMRPipe _Version 20060702 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 0.9820 loop_ _Vendor _Address _Electronic_address 'Kobayashi, N.' . . stop_ loop_ _Task 'data analysis' stop_ _Details . save_ save_CYANA _Saveframe_category software _Name CYANA _Version 2.1 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 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 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_ _Software_label $XWINNMR $NMRPipe $NMRView $Kujira $CYANA stop_ loop_ _Experiment_label '3D 15N-separated NOESY' '3D 13C-separated NOESY' stop_ loop_ _Sample_label $sample_1 stop_ _Sample_conditions_label $condition_1 _Chem_shift_reference_set_label $reference_1 _Mol_system_component_name 'ARID domain' _Text_data_format . _Text_data . loop_ _Atom_shift_assign_ID _Residue_author_seq_code _Residue_seq_code _Residue_label _Atom_name _Atom_type _Chem_shift_value _Chem_shift_value_error _Chem_shift_ambiguity_code 1 8 8 THR HA H 4.200 0.030 1 2 8 8 THR HB H 4.265 0.030 1 3 8 8 THR HG2 H 1.242 0.030 1 4 8 8 THR CA C 63.321 0.300 1 5 8 8 THR CB C 69.512 0.300 1 6 8 8 THR CG2 C 21.959 0.300 1 7 9 9 ARG HA H 4.185 0.030 1 8 9 9 ARG HB2 H 1.863 0.030 2 9 9 9 ARG HB3 H 1.929 0.030 2 10 9 9 ARG HD2 H 3.219 0.030 1 11 9 9 ARG HD3 H 3.219 0.030 1 12 9 9 ARG HG2 H 1.689 0.030 1 13 9 9 ARG HG3 H 1.689 0.030 1 14 9 9 ARG C C 177.304 0.300 1 15 9 9 ARG CA C 57.800 0.300 1 16 9 9 ARG CB C 30.023 0.300 1 17 9 9 ARG CD C 43.148 0.300 1 18 9 9 ARG CG C 27.243 0.300 1 19 10 10 VAL H H 7.832 0.030 1 20 10 10 VAL HA H 3.834 0.030 1 21 10 10 VAL HB H 2.011 0.030 1 22 10 10 VAL HG1 H 0.984 0.030 1 23 10 10 VAL HG2 H 0.918 0.030 1 24 10 10 VAL C C 177.459 0.300 1 25 10 10 VAL CA C 65.081 0.300 1 26 10 10 VAL CB C 31.919 0.300 1 27 10 10 VAL CG1 C 21.384 0.300 2 28 10 10 VAL CG2 C 21.096 0.300 2 29 10 10 VAL N N 118.928 0.300 1 30 11 11 LYS H H 7.627 0.030 1 31 11 11 LYS HA H 3.447 0.030 1 32 11 11 LYS HB2 H 1.722 0.030 2 33 11 11 LYS HB3 H 1.514 0.030 2 34 11 11 LYS HD2 H 1.696 0.030 1 35 11 11 LYS HD3 H 1.696 0.030 1 36 11 11 LYS HE2 H 3.067 0.030 2 37 11 11 LYS HE3 H 2.997 0.030 2 38 11 11 LYS HG2 H 1.040 0.030 2 39 11 11 LYS HG3 H 1.258 0.030 2 40 11 11 LYS C C 177.498 0.300 1 41 11 11 LYS CA C 58.886 0.300 1 42 11 11 LYS CB C 32.337 0.300 1 43 11 11 LYS CD C 29.801 0.300 1 44 11 11 LYS CE C 42.378 0.300 1 45 11 11 LYS CG C 25.036 0.300 1 46 11 11 LYS N N 122.628 0.300 1 47 12 12 LEU H H 7.976 0.030 1 48 12 12 LEU HA H 4.104 0.030 1 49 12 12 LEU HB2 H 1.725 0.030 2 50 12 12 LEU HB3 H 1.563 0.030 2 51 12 12 LEU HD1 H 0.885 0.030 1 52 12 12 LEU HD2 H 0.866 0.030 1 53 12 12 LEU HG H 1.736 0.030 1 54 12 12 LEU C C 179.233 0.300 1 55 12 12 LEU CA C 57.297 0.300 1 56 12 12 LEU CB C 41.534 0.300 1 57 12 12 LEU CD1 C 25.233 0.300 2 58 12 12 LEU CD2 C 23.020 0.300 2 59 12 12 LEU CG C 27.052 0.300 1 60 12 12 LEU N N 119.392 0.300 1 61 13 13 ASN H H 8.467 0.030 1 62 13 13 ASN HA H 4.559 0.030 1 63 13 13 ASN HB2 H 2.920 0.030 2 64 13 13 ASN HB3 H 2.880 0.030 2 65 13 13 ASN HD21 H 7.759 0.030 2 66 13 13 ASN HD22 H 6.953 0.030 2 67 13 13 ASN C C 176.702 0.300 1 68 13 13 ASN CA C 55.355 0.300 1 69 13 13 ASN CB C 38.395 0.300 1 70 13 13 ASN N N 118.367 0.300 1 71 13 13 ASN ND2 N 112.169 0.300 1 72 14 14 TYR H H 7.959 0.030 1 73 14 14 TYR HA H 4.170 0.030 1 74 14 14 TYR HB2 H 3.261 0.030 2 75 14 14 TYR HB3 H 3.173 0.030 2 76 14 14 TYR HD1 H 7.123 0.030 1 77 14 14 TYR HD2 H 7.123 0.030 1 78 14 14 TYR HE1 H 6.798 0.030 1 79 14 14 TYR HE2 H 6.798 0.030 1 80 14 14 TYR C C 177.008 0.300 1 81 14 14 TYR CA C 62.448 0.300 1 82 14 14 TYR CB C 39.502 0.300 1 83 14 14 TYR CD1 C 132.671 0.300 1 84 14 14 TYR CD2 C 132.671 0.300 1 85 14 14 TYR CE1 C 118.245 0.300 1 86 14 14 TYR CE2 C 118.245 0.300 1 87 14 14 TYR N N 122.145 0.300 1 88 15 15 LEU H H 8.181 0.030 1 89 15 15 LEU HA H 4.028 0.030 1 90 15 15 LEU HB2 H 1.958 0.030 2 91 15 15 LEU HB3 H 1.596 0.030 2 92 15 15 LEU HD1 H 1.046 0.030 1 93 15 15 LEU HD2 H 1.098 0.030 1 94 15 15 LEU HG H 2.051 0.030 1 95 15 15 LEU C C 179.541 0.300 1 96 15 15 LEU CA C 57.394 0.300 1 97 15 15 LEU CB C 41.273 0.300 1 98 15 15 LEU CD1 C 25.442 0.300 2 99 15 15 LEU CD2 C 23.337 0.300 2 100 15 15 LEU CG C 27.332 0.300 1 101 15 15 LEU N N 117.343 0.300 1 102 16 16 ASP H H 8.049 0.030 1 103 16 16 ASP HA H 4.428 0.030 1 104 16 16 ASP HB2 H 2.723 0.030 2 105 16 16 ASP HB3 H 2.849 0.030 2 106 16 16 ASP C C 178.827 0.300 1 107 16 16 ASP CA C 57.378 0.300 1 108 16 16 ASP CB C 41.265 0.300 1 109 16 16 ASP N N 119.304 0.300 1 110 17 17 GLN H H 8.046 0.030 1 111 17 17 GLN HA H 3.956 0.030 1 112 17 17 GLN HB2 H 2.141 0.030 1 113 17 17 GLN HB3 H 2.141 0.030 1 114 17 17 GLN HE21 H 7.385 0.030 2 115 17 17 GLN HE22 H 6.965 0.030 2 116 17 17 GLN HG2 H 2.557 0.030 2 117 17 17 GLN HG3 H 2.510 0.030 2 118 17 17 GLN C C 179.382 0.300 1 119 17 17 GLN CA C 59.037 0.300 1 120 17 17 GLN CB C 28.567 0.300 1 121 17 17 GLN CG C 34.610 0.300 1 122 17 17 GLN N N 118.846 0.300 1 123 17 17 GLN NE2 N 112.379 0.300 1 124 18 18 ILE H H 8.340 0.030 1 125 18 18 ILE HA H 3.269 0.030 1 126 18 18 ILE HB H 1.051 0.030 1 127 18 18 ILE HD1 H 0.778 0.030 1 128 18 18 ILE HG12 H 0.923 0.030 1 129 18 18 ILE HG13 H 0.923 0.030 1 130 18 18 ILE HG2 H 0.914 0.030 1 131 18 18 ILE C C 177.167 0.300 1 132 18 18 ILE CA C 64.438 0.300 1 133 18 18 ILE CB C 37.120 0.300 1 134 18 18 ILE CD1 C 13.913 0.300 1 135 18 18 ILE CG1 C 29.761 0.300 1 136 18 18 ILE CG2 C 17.613 0.300 1 137 18 18 ILE N N 121.416 0.300 1 138 19 19 ALA H H 7.997 0.030 1 139 19 19 ALA HA H 4.217 0.030 1 140 19 19 ALA HB H 1.624 0.030 1 141 19 19 ALA C C 180.813 0.300 1 142 19 19 ALA CA C 55.983 0.300 1 143 19 19 ALA CB C 18.130 0.300 1 144 19 19 ALA N N 124.373 0.300 1 145 20 20 LYS H H 8.031 0.030 1 146 20 20 LYS HA H 4.072 0.030 1 147 20 20 LYS HB2 H 1.930 0.030 1 148 20 20 LYS HB3 H 1.930 0.030 1 149 20 20 LYS HD2 H 1.675 0.030 1 150 20 20 LYS HD3 H 1.675 0.030 1 151 20 20 LYS HE2 H 2.960 0.030 1 152 20 20 LYS HE3 H 2.960 0.030 1 153 20 20 LYS HG2 H 1.588 0.030 2 154 20 20 LYS HG3 H 1.509 0.030 2 155 20 20 LYS C C 178.178 0.300 1 156 20 20 LYS CA C 58.990 0.300 1 157 20 20 LYS CB C 31.883 0.300 1 158 20 20 LYS CD C 28.592 0.300 1 159 20 20 LYS CE C 42.028 0.300 1 160 20 20 LYS CG C 25.176 0.300 1 161 20 20 LYS N N 119.728 0.300 1 162 21 21 PHE H H 7.812 0.030 1 163 21 21 PHE HA H 3.951 0.030 1 164 21 21 PHE HB2 H 2.976 0.030 2 165 21 21 PHE HB3 H 3.073 0.030 2 166 21 21 PHE HD1 H 6.082 0.030 1 167 21 21 PHE HD2 H 6.082 0.030 1 168 21 21 PHE HE1 H 5.880 0.030 1 169 21 21 PHE HE2 H 5.880 0.030 1 170 21 21 PHE HZ H 6.482 0.030 1 171 21 21 PHE C C 177.233 0.300 1 172 21 21 PHE CA C 61.103 0.300 1 173 21 21 PHE CB C 38.896 0.300 1 174 21 21 PHE CD1 C 131.602 0.300 1 175 21 21 PHE CD2 C 131.602 0.300 1 176 21 21 PHE CE1 C 130.830 0.300 1 177 21 21 PHE CE2 C 130.830 0.300 1 178 21 21 PHE CZ C 129.254 0.300 1 179 21 21 PHE N N 119.517 0.300 1 180 22 22 TRP H H 7.801 0.030 1 181 22 22 TRP HA H 4.127 0.030 1 182 22 22 TRP HB2 H 3.546 0.030 2 183 22 22 TRP HB3 H 2.941 0.030 2 184 22 22 TRP HD1 H 7.354 0.030 1 185 22 22 TRP HE1 H 10.355 0.030 1 186 22 22 TRP HE3 H 7.588 0.030 1 187 22 22 TRP HH2 H 7.411 0.030 1 188 22 22 TRP HZ2 H 7.756 0.030 1 189 22 22 TRP HZ3 H 7.181 0.030 1 190 22 22 TRP C C 178.114 0.300 1 191 22 22 TRP CA C 60.507 0.300 1 192 22 22 TRP CB C 28.637 0.300 1 193 22 22 TRP CD1 C 126.773 0.300 1 194 22 22 TRP CE3 C 120.795 0.300 1 195 22 22 TRP CH2 C 124.642 0.300 1 196 22 22 TRP CZ2 C 115.508 0.300 1 197 22 22 TRP CZ3 C 122.318 0.300 1 198 22 22 TRP N N 119.341 0.300 1 199 22 22 TRP NE1 N 125.312 0.300 1 200 23 23 GLU H H 8.225 0.030 1 201 23 23 GLU HA H 4.129 0.030 1 202 23 23 GLU HB2 H 2.196 0.030 1 203 23 23 GLU HB3 H 2.196 0.030 1 204 23 23 GLU HG2 H 2.398 0.030 2 205 23 23 GLU HG3 H 2.231 0.030 2 206 23 23 GLU C C 181.204 0.300 1 207 23 23 GLU CA C 59.410 0.300 1 208 23 23 GLU CB C 29.649 0.300 1 209 23 23 GLU CG C 36.175 0.300 1 210 23 23 GLU N N 121.243 0.300 1 211 24 24 ILE H H 8.060 0.030 1 212 24 24 ILE HA H 3.763 0.030 1 213 24 24 ILE HB H 1.854 0.030 1 214 24 24 ILE HD1 H 0.790 0.030 1 215 24 24 ILE HG12 H 1.581 0.030 2 216 24 24 ILE HG13 H 1.186 0.030 2 217 24 24 ILE HG2 H 0.773 0.030 1 218 24 24 ILE C C 178.029 0.300 1 219 24 24 ILE CA C 64.279 0.300 1 220 24 24 ILE CB C 37.370 0.300 1 221 24 24 ILE CD1 C 13.307 0.300 1 222 24 24 ILE CG1 C 29.055 0.300 1 223 24 24 ILE CG2 C 17.296 0.300 1 224 24 24 ILE N N 121.643 0.300 1 225 25 25 GLN H H 7.357 0.030 1 226 25 25 GLN HA H 3.994 0.030 1 227 25 25 GLN HB2 H 2.223 0.030 2 228 25 25 GLN HB3 H 1.839 0.030 2 229 25 25 GLN HE21 H 5.832 0.030 2 230 25 25 GLN HE22 H 6.221 0.030 2 231 25 25 GLN HG2 H 1.461 0.030 2 232 25 25 GLN HG3 H 1.278 0.030 2 233 25 25 GLN C C 176.512 0.300 1 234 25 25 GLN CA C 55.600 0.300 1 235 25 25 GLN CB C 28.422 0.300 1 236 25 25 GLN CG C 32.846 0.300 1 237 25 25 GLN N N 116.630 0.300 1 238 25 25 GLN NE2 N 113.317 0.300 1 239 26 26 GLY H H 7.820 0.030 1 240 26 26 GLY HA2 H 4.272 0.030 2 241 26 26 GLY HA3 H 3.795 0.030 2 242 26 26 GLY C C 174.240 0.300 1 243 26 26 GLY CA C 45.433 0.300 1 244 26 26 GLY N N 106.710 0.300 1 245 27 27 SER H H 8.025 0.030 1 246 27 27 SER HA H 4.742 0.030 1 247 27 27 SER HB2 H 3.854 0.030 2 248 27 27 SER HB3 H 3.762 0.030 2 249 27 27 SER C C 172.782 0.300 1 250 27 27 SER CA C 55.806 0.300 1 251 27 27 SER CB C 64.517 0.300 1 252 27 27 SER N N 116.059 0.300 1 253 28 28 SER H H 8.354 0.030 1 254 28 28 SER HA H 4.317 0.030 1 255 28 28 SER HB2 H 3.813 0.030 2 256 28 28 SER HB3 H 3.693 0.030 2 257 28 28 SER C C 173.791 0.300 1 258 28 28 SER CA C 58.409 0.300 1 259 28 28 SER CB C 63.862 0.300 1 260 28 28 SER N N 116.635 0.300 1 261 29 29 LEU H H 9.023 0.030 1 262 29 29 LEU HA H 3.994 0.030 1 263 29 29 LEU HB2 H 1.946 0.030 2 264 29 29 LEU HB3 H 1.315 0.030 2 265 29 29 LEU HD1 H 0.846 0.030 1 266 29 29 LEU HD2 H 0.667 0.030 1 267 29 29 LEU HG H 1.287 0.030 1 268 29 29 LEU C C 175.403 0.300 1 269 29 29 LEU CA C 55.426 0.300 1 270 29 29 LEU CB C 42.833 0.300 1 271 29 29 LEU CD1 C 26.608 0.300 2 272 29 29 LEU CD2 C 23.846 0.300 2 273 29 29 LEU CG C 27.187 0.300 1 274 29 29 LEU N N 125.858 0.300 1 275 30 30 LYS H H 8.329 0.030 1 276 30 30 LYS HA H 4.479 0.030 1 277 30 30 LYS HB2 H 1.559 0.030 2 278 30 30 LYS HB3 H 1.594 0.030 2 279 30 30 LYS HD2 H 1.566 0.030 1 280 30 30 LYS HD3 H 1.566 0.030 1 281 30 30 LYS HE2 H 2.898 0.030 1 282 30 30 LYS HE3 H 2.898 0.030 1 283 30 30 LYS HG2 H 1.196 0.030 2 284 30 30 LYS HG3 H 1.283 0.030 2 285 30 30 LYS C C 175.156 0.300 1 286 30 30 LYS CA C 54.337 0.300 1 287 30 30 LYS CB C 32.617 0.300 1 288 30 30 LYS CD C 28.802 0.300 1 289 30 30 LYS CE C 42.168 0.300 1 290 30 30 LYS CG C 24.393 0.300 1 291 30 30 LYS N N 130.242 0.300 1 292 31 31 ILE H H 8.738 0.030 1 293 31 31 ILE HA H 3.959 0.030 1 294 31 31 ILE HB H 1.819 0.030 1 295 31 31 ILE HD1 H 0.993 0.030 1 296 31 31 ILE HG12 H 1.724 0.030 2 297 31 31 ILE HG13 H 0.930 0.030 2 298 31 31 ILE HG2 H 1.166 0.030 1 299 31 31 ILE C C 174.604 0.300 1 300 31 31 ILE CA C 60.090 0.300 1 301 31 31 ILE CB C 38.222 0.300 1 302 31 31 ILE CD1 C 13.188 0.300 1 303 31 31 ILE CG1 C 28.634 0.300 1 304 31 31 ILE CG2 C 18.852 0.300 1 305 31 31 ILE N N 127.148 0.300 1 306 32 32 PRO HA H 4.396 0.030 1 307 32 32 PRO HB2 H 1.895 0.030 2 308 32 32 PRO HB3 H 1.308 0.030 2 309 32 32 PRO HD2 H 3.254 0.030 2 310 32 32 PRO HD3 H 3.872 0.030 2 311 32 32 PRO HG2 H 1.024 0.030 1 312 32 32 PRO HG3 H 1.024 0.030 1 313 32 32 PRO C C 174.262 0.300 1 314 32 32 PRO CA C 62.522 0.300 1 315 32 32 PRO CB C 32.752 0.300 1 316 32 32 PRO CD C 50.467 0.300 1 317 32 32 PRO CG C 26.093 0.300 1 318 33 33 ASN H H 8.272 0.030 1 319 33 33 ASN HA H 5.113 0.030 1 320 33 33 ASN HB2 H 2.535 0.030 2 321 33 33 ASN HB3 H 2.202 0.030 2 322 33 33 ASN HD21 H 7.223 0.030 2 323 33 33 ASN HD22 H 6.562 0.030 2 324 33 33 ASN C C 175.712 0.300 1 325 33 33 ASN CA C 52.093 0.300 1 326 33 33 ASN CB C 40.401 0.300 1 327 33 33 ASN N N 116.107 0.300 1 328 33 33 ASN ND2 N 111.057 0.300 1 329 34 34 VAL H H 8.928 0.030 1 330 34 34 VAL HA H 4.139 0.030 1 331 34 34 VAL HB H 1.977 0.030 1 332 34 34 VAL HG1 H 0.841 0.030 1 333 34 34 VAL HG2 H 0.562 0.030 1 334 34 34 VAL C C 175.563 0.300 1 335 34 34 VAL CA C 62.029 0.300 1 336 34 34 VAL CB C 34.781 0.300 1 337 34 34 VAL CG1 C 22.378 0.300 2 338 34 34 VAL CG2 C 21.778 0.300 2 339 34 34 VAL N N 122.065 0.300 1 340 35 35 GLU H H 9.631 0.030 1 341 35 35 GLU HA H 3.793 0.030 1 342 35 35 GLU HB2 H 2.479 0.030 2 343 35 35 GLU HB3 H 2.145 0.030 2 344 35 35 GLU HG2 H 2.365 0.030 2 345 35 35 GLU HG3 H 2.138 0.030 2 346 35 35 GLU C C 175.346 0.300 1 347 35 35 GLU CA C 57.249 0.300 1 348 35 35 GLU CB C 27.416 0.300 1 349 35 35 GLU CG C 36.895 0.300 1 350 35 35 GLU N N 127.107 0.300 1 351 36 36 ARG H H 8.601 0.030 1 352 36 36 ARG HA H 3.755 0.030 1 353 36 36 ARG HB2 H 2.052 0.030 2 354 36 36 ARG HB3 H 2.188 0.030 2 355 36 36 ARG HD2 H 3.239 0.030 2 356 36 36 ARG HD3 H 3.176 0.030 2 357 36 36 ARG HG2 H 1.539 0.030 1 358 36 36 ARG HG3 H 1.539 0.030 1 359 36 36 ARG C C 174.927 0.300 1 360 36 36 ARG CA C 57.958 0.300 1 361 36 36 ARG CB C 27.494 0.300 1 362 36 36 ARG CD C 43.288 0.300 1 363 36 36 ARG CG C 27.730 0.300 1 364 36 36 ARG N N 137.497 0.300 1 365 37 37 LYS H H 7.581 0.030 1 366 37 37 LYS HA H 4.702 0.030 1 367 37 37 LYS HB2 H 1.923 0.030 2 368 37 37 LYS HB3 H 1.802 0.030 2 369 37 37 LYS HD2 H 1.738 0.030 1 370 37 37 LYS HD3 H 1.738 0.030 1 371 37 37 LYS HE2 H 3.028 0.030 1 372 37 37 LYS HE3 H 3.028 0.030 1 373 37 37 LYS HG2 H 1.527 0.030 1 374 37 37 LYS HG3 H 1.527 0.030 1 375 37 37 LYS C C 175.377 0.300 1 376 37 37 LYS CA C 54.583 0.300 1 377 37 37 LYS CB C 36.386 0.300 1 378 37 37 LYS CD C 29.222 0.300 1 379 37 37 LYS CE C 42.267 0.300 1 380 37 37 LYS CG C 24.771 0.300 1 381 37 37 LYS N N 118.976 0.300 1 382 38 38 ILE H H 8.451 0.030 1 383 38 38 ILE HA H 4.204 0.030 1 384 38 38 ILE HB H 1.752 0.030 1 385 38 38 ILE HD1 H 0.870 0.030 1 386 38 38 ILE HG12 H 1.507 0.030 2 387 38 38 ILE HG13 H 1.288 0.030 2 388 38 38 ILE HG2 H 0.880 0.030 1 389 38 38 ILE C C 176.828 0.300 1 390 38 38 ILE CA C 62.078 0.300 1 391 38 38 ILE CB C 39.052 0.300 1 392 38 38 ILE CD1 C 13.836 0.300 1 393 38 38 ILE CG1 C 28.426 0.300 1 394 38 38 ILE CG2 C 17.535 0.300 1 395 38 38 ILE N N 123.597 0.300 1 396 39 39 LEU H H 8.237 0.030 1 397 39 39 LEU HA H 4.240 0.030 1 398 39 39 LEU HB2 H 1.728 0.030 2 399 39 39 LEU HB3 H 1.115 0.030 2 400 39 39 LEU HD1 H 1.024 0.030 1 401 39 39 LEU HD2 H 0.684 0.030 1 402 39 39 LEU HG H 1.291 0.030 1 403 39 39 LEU C C 174.636 0.300 1 404 39 39 LEU CA C 55.155 0.300 1 405 39 39 LEU CB C 43.299 0.300 1 406 39 39 LEU CD1 C 23.363 0.300 2 407 39 39 LEU CD2 C 26.459 0.300 2 408 39 39 LEU CG C 27.183 0.300 1 409 39 39 LEU N N 129.479 0.300 1 410 40 40 ASP H H 9.091 0.030 1 411 40 40 ASP HA H 4.758 0.030 1 412 40 40 ASP HB2 H 3.206 0.030 2 413 40 40 ASP HB3 H 2.729 0.030 2 414 40 40 ASP C C 175.192 0.300 1 415 40 40 ASP CA C 52.227 0.300 1 416 40 40 ASP CB C 39.284 0.300 1 417 40 40 ASP N N 127.032 0.300 1 418 41 41 LEU H H 7.871 0.030 1 419 41 41 LEU HA H 3.958 0.030 1 420 41 41 LEU HB2 H 1.971 0.030 2 421 41 41 LEU HB3 H 1.663 0.030 2 422 41 41 LEU HD1 H 0.890 0.030 1 423 41 41 LEU HD2 H 1.099 0.030 1 424 41 41 LEU HG H 1.072 0.030 1 425 41 41 LEU C C 177.815 0.300 1 426 41 41 LEU CA C 57.925 0.300 1 427 41 41 LEU CB C 42.926 0.300 1 428 41 41 LEU CD1 C 23.203 0.300 2 429 41 41 LEU CD2 C 23.351 0.300 2 430 41 41 LEU CG C 27.043 0.300 1 431 41 41 LEU N N 124.944 0.300 1 432 42 42 TYR H H 8.600 0.030 1 433 42 42 TYR HA H 3.725 0.030 1 434 42 42 TYR HB2 H 3.061 0.030 1 435 42 42 TYR HB3 H 3.061 0.030 1 436 42 42 TYR HD1 H 6.818 0.030 1 437 42 42 TYR HD2 H 6.818 0.030 1 438 42 42 TYR HE1 H 6.682 0.030 1 439 42 42 TYR HE2 H 6.682 0.030 1 440 42 42 TYR C C 177.351 0.300 1 441 42 42 TYR CA C 61.186 0.300 1 442 42 42 TYR CB C 38.201 0.300 1 443 42 42 TYR CD1 C 133.058 0.300 1 444 42 42 TYR CD2 C 133.058 0.300 1 445 42 42 TYR CE1 C 117.983 0.300 1 446 42 42 TYR CE2 C 117.983 0.300 1 447 42 42 TYR N N 117.447 0.300 1 448 43 43 SER H H 8.029 0.030 1 449 43 43 SER HA H 3.823 0.030 1 450 43 43 SER HB2 H 3.703 0.030 2 451 43 43 SER HB3 H 3.628 0.030 2 452 43 43 SER C C 175.649 0.300 1 453 43 43 SER CA C 62.266 0.300 1 454 43 43 SER CB C 61.992 0.300 1 455 43 43 SER N N 116.315 0.300 1 456 44 44 LEU H H 8.300 0.030 1 457 44 44 LEU HA H 4.106 0.030 1 458 44 44 LEU HB2 H 2.217 0.030 2 459 44 44 LEU HB3 H 1.559 0.030 2 460 44 44 LEU HD1 H 1.216 0.030 1 461 44 44 LEU HD2 H 1.175 0.030 1 462 44 44 LEU HG H 1.882 0.030 1 463 44 44 LEU C C 176.694 0.300 1 464 44 44 LEU CA C 58.874 0.300 1 465 44 44 LEU CB C 41.194 0.300 1 466 44 44 LEU CD1 C 26.858 0.300 2 467 44 44 LEU CD2 C 24.393 0.300 2 468 44 44 LEU CG C 27.890 0.300 1 469 44 44 LEU N N 120.724 0.300 1 470 45 45 SER H H 8.078 0.030 1 471 45 45 SER HA H 4.350 0.030 1 472 45 45 SER HB2 H 4.030 0.030 2 473 45 45 SER HB3 H 4.203 0.030 2 474 45 45 SER C C 176.660 0.300 1 475 45 45 SER CA C 61.854 0.300 1 476 45 45 SER CB C 62.476 0.300 1 477 45 45 SER N N 112.808 0.300 1 478 46 46 LYS H H 7.751 0.030 1 479 46 46 LYS HA H 3.856 0.030 1 480 46 46 LYS HB2 H 1.622 0.030 2 481 46 46 LYS HB3 H 1.451 0.030 2 482 46 46 LYS HD2 H 1.414 0.030 2 483 46 46 LYS HD3 H 1.468 0.030 2 484 46 46 LYS HE2 H 2.875 0.030 2 485 46 46 LYS HE3 H 2.719 0.030 2 486 46 46 LYS HG2 H 1.160 0.030 2 487 46 46 LYS HG3 H 1.070 0.030 2 488 46 46 LYS C C 179.173 0.300 1 489 46 46 LYS CA C 58.721 0.300 1 490 46 46 LYS CB C 32.442 0.300 1 491 46 46 LYS CD C 28.815 0.300 1 492 46 46 LYS CE C 41.949 0.300 1 493 46 46 LYS CG C 24.028 0.300 1 494 46 46 LYS N N 120.148 0.300 1 495 47 47 ILE H H 8.653 0.030 1 496 47 47 ILE HA H 3.618 0.030 1 497 47 47 ILE HB H 1.910 0.030 1 498 47 47 ILE HD1 H 0.679 0.030 1 499 47 47 ILE HG12 H 1.511 0.030 2 500 47 47 ILE HG13 H 1.161 0.030 2 501 47 47 ILE HG2 H 0.865 0.030 1 502 47 47 ILE C C 177.410 0.300 1 503 47 47 ILE CA C 64.021 0.300 1 504 47 47 ILE CB C 37.072 0.300 1 505 47 47 ILE CD1 C 12.703 0.300 1 506 47 47 ILE CG1 C 29.877 0.300 1 507 47 47 ILE CG2 C 19.718 0.300 1 508 47 47 ILE N N 120.627 0.300 1 509 48 48 VAL H H 8.012 0.030 1 510 48 48 VAL HA H 3.166 0.030 1 511 48 48 VAL HB H 2.138 0.030 1 512 48 48 VAL HG1 H 0.762 0.030 1 513 48 48 VAL HG2 H 0.545 0.030 1 514 48 48 VAL C C 178.151 0.300 1 515 48 48 VAL CA C 66.801 0.300 1 516 48 48 VAL CB C 30.827 0.300 1 517 48 48 VAL CG1 C 24.757 0.300 2 518 48 48 VAL CG2 C 19.843 0.300 2 519 48 48 VAL N N 119.498 0.300 1 520 49 49 ILE H H 7.443 0.030 1 521 49 49 ILE HA H 3.551 0.030 1 522 49 49 ILE HB H 2.007 0.030 1 523 49 49 ILE HD1 H 0.886 0.030 1 524 49 49 ILE HG12 H 1.803 0.030 2 525 49 49 ILE HG13 H 1.348 0.030 2 526 49 49 ILE HG2 H 0.905 0.030 1 527 49 49 ILE C C 180.485 0.300 1 528 49 49 ILE CA C 65.107 0.300 1 529 49 49 ILE CB C 37.553 0.300 1 530 49 49 ILE CD1 C 12.587 0.300 1 531 49 49 ILE CG1 C 29.008 0.300 1 532 49 49 ILE CG2 C 17.254 0.300 1 533 49 49 ILE N N 118.990 0.300 1 534 50 50 GLU H H 8.349 0.030 1 535 50 50 GLU HA H 3.927 0.030 1 536 50 50 GLU HB2 H 2.059 0.030 2 537 50 50 GLU HB3 H 2.153 0.030 2 538 50 50 GLU HG2 H 2.534 0.030 2 539 50 50 GLU HG3 H 2.227 0.030 2 540 50 50 GLU C C 178.877 0.300 1 541 50 50 GLU CA C 59.650 0.300 1 542 50 50 GLU CB C 30.208 0.300 1 543 50 50 GLU CG C 36.634 0.300 1 544 50 50 GLU N N 122.241 0.300 1 545 51 51 GLU H H 8.050 0.030 1 546 51 51 GLU HA H 4.194 0.030 1 547 51 51 GLU HB2 H 2.084 0.030 2 548 51 51 GLU HB3 H 1.604 0.030 2 549 51 51 GLU HG2 H 2.327 0.030 2 550 51 51 GLU HG3 H 1.736 0.030 2 551 51 51 GLU C C 175.066 0.300 1 552 51 51 GLU CA C 55.611 0.300 1 553 51 51 GLU CB C 28.686 0.300 1 554 51 51 GLU CG C 35.991 0.300 1 555 51 51 GLU N N 115.083 0.300 1 556 52 52 GLY H H 7.432 0.030 1 557 52 52 GLY HA2 H 4.450 0.030 2 558 52 52 GLY HA3 H 3.613 0.030 2 559 52 52 GLY C C 174.844 0.300 1 560 52 52 GLY CA C 44.790 0.300 1 561 52 52 GLY N N 104.871 0.300 1 562 53 53 GLY H H 8.550 0.030 1 563 53 53 GLY HA2 H 4.500 0.030 2 564 53 53 GLY HA3 H 3.502 0.030 2 565 53 53 GLY C C 171.438 0.300 1 566 53 53 GLY CA C 43.810 0.300 1 567 53 53 GLY N N 110.594 0.300 1 568 54 54 TYR H H 8.756 0.030 1 569 54 54 TYR HA H 3.542 0.030 1 570 54 54 TYR HB2 H 3.112 0.030 2 571 54 54 TYR HB3 H 2.916 0.030 2 572 54 54 TYR HD1 H 6.966 0.030 1 573 54 54 TYR HD2 H 6.966 0.030 1 574 54 54 TYR HE1 H 6.702 0.030 1 575 54 54 TYR HE2 H 6.702 0.030 1 576 54 54 TYR C C 176.448 0.300 1 577 54 54 TYR CA C 62.612 0.300 1 578 54 54 TYR CB C 39.596 0.300 1 579 54 54 TYR CD1 C 133.392 0.300 1 580 54 54 TYR CD2 C 133.392 0.300 1 581 54 54 TYR CE1 C 118.067 0.300 1 582 54 54 TYR CE2 C 118.067 0.300 1 583 54 54 TYR N N 119.275 0.300 1 584 55 55 GLU H H 8.990 0.030 1 585 55 55 GLU HA H 3.632 0.030 1 586 55 55 GLU HB2 H 2.008 0.030 2 587 55 55 GLU HB3 H 2.077 0.030 2 588 55 55 GLU HG2 H 2.524 0.030 2 589 55 55 GLU HG3 H 2.434 0.030 2 590 55 55 GLU C C 179.064 0.300 1 591 55 55 GLU CA C 60.462 0.300 1 592 55 55 GLU CB C 29.020 0.300 1 593 55 55 GLU CG C 36.916 0.300 1 594 55 55 GLU N N 118.959 0.300 1 595 56 56 ALA H H 8.248 0.030 1 596 56 56 ALA HA H 3.949 0.030 1 597 56 56 ALA HB H 1.256 0.030 1 598 56 56 ALA C C 179.189 0.300 1 599 56 56 ALA CA C 55.048 0.300 1 600 56 56 ALA CB C 18.221 0.300 1 601 56 56 ALA N N 122.925 0.300 1 602 57 57 ILE H H 7.790 0.030 1 603 57 57 ILE HA H 3.149 0.030 1 604 57 57 ILE HB H 0.803 0.030 1 605 57 57 ILE HD1 H -1.007 0.030 1 606 57 57 ILE HG12 H 1.359 0.030 2 607 57 57 ILE HG13 H 0.234 0.030 2 608 57 57 ILE HG2 H 0.102 0.030 1 609 57 57 ILE C C 179.392 0.300 1 610 57 57 ILE CA C 65.064 0.300 1 611 57 57 ILE CB C 38.212 0.300 1 612 57 57 ILE CD1 C 14.861 0.300 1 613 57 57 ILE CG1 C 28.514 0.300 1 614 57 57 ILE CG2 C 16.256 0.300 1 615 57 57 ILE N N 117.467 0.300 1 616 58 58 CYS H H 7.753 0.030 1 617 58 58 CYS HA H 4.178 0.030 1 618 58 58 CYS HB2 H 2.931 0.030 2 619 58 58 CYS HB3 H 2.702 0.030 2 620 58 58 CYS C C 177.900 0.300 1 621 58 58 CYS CA C 63.842 0.300 1 622 58 58 CYS CB C 27.276 0.300 1 623 58 58 CYS N N 115.280 0.300 1 624 59 59 LYS H H 8.317 0.030 1 625 59 59 LYS HA H 3.941 0.030 1 626 59 59 LYS HB2 H 1.843 0.030 1 627 59 59 LYS HB3 H 1.843 0.030 1 628 59 59 LYS HD2 H 1.649 0.030 1 629 59 59 LYS HD3 H 1.649 0.030 1 630 59 59 LYS HE2 H 2.960 0.030 1 631 59 59 LYS HE3 H 2.960 0.030 1 632 59 59 LYS HG2 H 1.422 0.030 2 633 59 59 LYS HG3 H 1.492 0.030 2 634 59 59 LYS C C 177.992 0.300 1 635 59 59 LYS CA C 59.647 0.300 1 636 59 59 LYS CB C 32.296 0.300 1 637 59 59 LYS CD C 29.223 0.300 1 638 59 59 LYS CE C 41.958 0.300 1 639 59 59 LYS CG C 24.777 0.300 1 640 59 59 LYS N N 122.316 0.300 1 641 60 60 ASP H H 8.146 0.030 1 642 60 60 ASP HA H 4.593 0.030 1 643 60 60 ASP HB2 H 2.723 0.030 2 644 60 60 ASP HB3 H 2.451 0.030 2 645 60 60 ASP C C 174.803 0.300 1 646 60 60 ASP CA C 54.216 0.300 1 647 60 60 ASP CB C 41.026 0.300 1 648 60 60 ASP N N 116.117 0.300 1 649 61 61 ARG H H 7.634 0.030 1 650 61 61 ARG HA H 4.152 0.030 1 651 61 61 ARG HB2 H 2.197 0.030 2 652 61 61 ARG HB3 H 1.959 0.030 2 653 61 61 ARG HD2 H 3.284 0.030 1 654 61 61 ARG HD3 H 3.284 0.030 1 655 61 61 ARG HG2 H 1.652 0.030 2 656 61 61 ARG HG3 H 1.693 0.030 2 657 61 61 ARG C C 177.412 0.300 1 658 61 61 ARG CA C 57.374 0.300 1 659 61 61 ARG CB C 26.505 0.300 1 660 61 61 ARG CD C 43.847 0.300 1 661 61 61 ARG CG C 27.489 0.300 1 662 61 61 ARG N N 117.231 0.300 1 663 62 62 ARG H H 8.229 0.030 1 664 62 62 ARG HA H 4.834 0.030 1 665 62 62 ARG HB2 H 2.103 0.030 2 666 62 62 ARG HB3 H 1.282 0.030 2 667 62 62 ARG HD2 H 3.183 0.030 1 668 62 62 ARG HD3 H 3.183 0.030 1 669 62 62 ARG HG2 H 1.542 0.030 2 670 62 62 ARG HG3 H 1.447 0.030 2 671 62 62 ARG C C 177.376 0.300 1 672 62 62 ARG CA C 55.588 0.300 1 673 62 62 ARG CB C 31.408 0.300 1 674 62 62 ARG CD C 43.428 0.300 1 675 62 62 ARG CG C 29.239 0.300 1 676 62 62 ARG N N 116.143 0.300 1 677 63 63 TRP H H 8.177 0.030 1 678 63 63 TRP HA H 3.799 0.030 1 679 63 63 TRP HB2 H 3.165 0.030 2 680 63 63 TRP HB3 H 3.254 0.030 2 681 63 63 TRP HD1 H 7.462 0.030 1 682 63 63 TRP HE1 H 9.419 0.030 1 683 63 63 TRP HE3 H 7.387 0.030 1 684 63 63 TRP HH2 H 6.535 0.030 1 685 63 63 TRP HZ2 H 7.217 0.030 1 686 63 63 TRP HZ3 H 6.632 0.030 1 687 63 63 TRP C C 178.490 0.300 1 688 63 63 TRP CA C 62.134 0.300 1 689 63 63 TRP CB C 26.845 0.300 1 690 63 63 TRP CD1 C 125.949 0.300 1 691 63 63 TRP CE3 C 120.333 0.300 1 692 63 63 TRP CH2 C 123.532 0.300 1 693 63 63 TRP CZ2 C 113.425 0.300 1 694 63 63 TRP CZ3 C 120.867 0.300 1 695 63 63 TRP N N 121.497 0.300 1 696 63 63 TRP NE1 N 128.823 0.300 1 697 64 64 ALA H H 8.968 0.030 1 698 64 64 ALA HA H 4.303 0.030 1 699 64 64 ALA HB H 1.515 0.030 1 700 64 64 ALA C C 180.719 0.300 1 701 64 64 ALA CA C 55.294 0.300 1 702 64 64 ALA CB C 18.130 0.300 1 703 64 64 ALA N N 121.605 0.300 1 704 65 65 ARG H H 7.449 0.030 1 705 65 65 ARG HA H 4.164 0.030 1 706 65 65 ARG HB2 H 1.925 0.030 2 707 65 65 ARG HB3 H 2.007 0.030 2 708 65 65 ARG HD2 H 3.063 0.030 2 709 65 65 ARG HD3 H 3.333 0.030 2 710 65 65 ARG HG2 H 1.656 0.030 2 711 65 65 ARG HG3 H 1.398 0.030 2 712 65 65 ARG C C 178.214 0.300 1 713 65 65 ARG CA C 57.668 0.300 1 714 65 65 ARG CB C 28.931 0.300 1 715 65 65 ARG CD C 42.868 0.300 1 716 65 65 ARG CG C 26.702 0.300 1 717 65 65 ARG N N 119.983 0.300 1 718 66 66 VAL H H 7.097 0.030 1 719 66 66 VAL HA H 3.246 0.030 1 720 66 66 VAL HB H 2.540 0.030 1 721 66 66 VAL HG1 H 0.933 0.030 1 722 66 66 VAL HG2 H 0.497 0.030 1 723 66 66 VAL C C 176.904 0.300 1 724 66 66 VAL CA C 66.744 0.300 1 725 66 66 VAL CB C 31.137 0.300 1 726 66 66 VAL CG1 C 21.209 0.300 2 727 66 66 VAL CG2 C 22.366 0.300 2 728 66 66 VAL N N 119.975 0.300 1 729 67 67 ALA H H 7.751 0.030 1 730 67 67 ALA HA H 4.054 0.030 1 731 67 67 ALA HB H 1.420 0.030 1 732 67 67 ALA C C 178.909 0.300 1 733 67 67 ALA CA C 55.597 0.300 1 734 67 67 ALA CB C 18.055 0.300 1 735 67 67 ALA N N 118.119 0.300 1 736 68 68 GLN H H 7.952 0.030 1 737 68 68 GLN HA H 4.198 0.030 1 738 68 68 GLN HB2 H 2.290 0.030 2 739 68 68 GLN HB3 H 2.187 0.030 2 740 68 68 GLN HE21 H 6.825 0.030 2 741 68 68 GLN HE22 H 7.597 0.030 2 742 68 68 GLN HG2 H 2.540 0.030 2 743 68 68 GLN HG3 H 2.271 0.030 2 744 68 68 GLN C C 180.990 0.300 1 745 68 68 GLN CA C 59.155 0.300 1 746 68 68 GLN CB C 29.125 0.300 1 747 68 68 GLN CG C 33.770 0.300 1 748 68 68 GLN N N 118.353 0.300 1 749 68 68 GLN NE2 N 112.259 0.300 1 750 69 69 ARG H H 8.324 0.030 1 751 69 69 ARG HA H 3.935 0.030 1 752 69 69 ARG HB2 H 1.890 0.030 1 753 69 69 ARG HB3 H 1.890 0.030 1 754 69 69 ARG HD2 H 3.201 0.030 2 755 69 69 ARG HD3 H 2.926 0.030 2 756 69 69 ARG HG2 H 1.530 0.030 2 757 69 69 ARG HG3 H 1.964 0.030 2 758 69 69 ARG C C 177.088 0.300 1 759 69 69 ARG CA C 58.662 0.300 1 760 69 69 ARG CB C 29.789 0.300 1 761 69 69 ARG CD C 42.833 0.300 1 762 69 69 ARG CG C 27.767 0.300 1 763 69 69 ARG N N 120.486 0.300 1 764 70 70 LEU H H 7.218 0.030 1 765 70 70 LEU HA H 4.093 0.030 1 766 70 70 LEU HB2 H 1.816 0.030 2 767 70 70 LEU HB3 H 1.750 0.030 2 768 70 70 LEU HD1 H 1.016 0.030 1 769 70 70 LEU HD2 H 0.869 0.030 1 770 70 70 LEU HG H 1.669 0.030 1 771 70 70 LEU C C 174.696 0.300 1 772 70 70 LEU CA C 54.712 0.300 1 773 70 70 LEU CB C 42.739 0.300 1 774 70 70 LEU CD1 C 27.369 0.300 2 775 70 70 LEU CD2 C 23.807 0.300 2 776 70 70 LEU CG C 27.392 0.300 1 777 70 70 LEU N N 118.288 0.300 1 778 71 71 HIS H H 7.662 0.030 1 779 71 71 HIS HA H 4.204 0.030 1 780 71 71 HIS HB2 H 3.333 0.030 2 781 71 71 HIS HB3 H 3.233 0.030 2 782 71 71 HIS HD2 H 6.897 0.030 1 783 71 71 HIS HE1 H 7.982 0.030 1 784 71 71 HIS C C 174.815 0.300 1 785 71 71 HIS CA C 57.081 0.300 1 786 71 71 HIS CB C 26.123 0.300 1 787 71 71 HIS CD2 C 119.901 0.300 1 788 71 71 HIS CE1 C 137.782 0.300 1 789 71 71 HIS N N 111.170 0.300 1 790 72 72 TYR H H 7.848 0.030 1 791 72 72 TYR HA H 4.836 0.030 1 792 72 72 TYR HB2 H 3.047 0.030 2 793 72 72 TYR HB3 H 2.522 0.030 2 794 72 72 TYR HD1 H 7.216 0.030 1 795 72 72 TYR HD2 H 7.216 0.030 1 796 72 72 TYR HE1 H 6.750 0.030 1 797 72 72 TYR HE2 H 6.750 0.030 1 798 72 72 TYR C C 173.809 0.300 1 799 72 72 TYR CA C 57.173 0.300 1 800 72 72 TYR CB C 37.535 0.300 1 801 72 72 TYR CD1 C 132.687 0.300 1 802 72 72 TYR CD2 C 132.687 0.300 1 803 72 72 TYR CE1 C 118.503 0.300 1 804 72 72 TYR CE2 C 118.503 0.300 1 805 72 72 TYR N N 118.340 0.300 1 806 73 73 PRO HA H 4.813 0.030 1 807 73 73 PRO HB2 H 1.956 0.030 2 808 73 73 PRO HB3 H 2.434 0.030 2 809 73 73 PRO HD2 H 4.110 0.030 2 810 73 73 PRO HD3 H 3.710 0.030 2 811 73 73 PRO HG2 H 2.194 0.030 2 812 73 73 PRO HG3 H 2.066 0.030 2 813 73 73 PRO CA C 61.130 0.300 1 814 73 73 PRO CB C 31.162 0.300 1 815 73 73 PRO CD C 50.661 0.300 1 816 73 73 PRO CG C 27.424 0.300 1 817 74 74 PRO HA H 4.626 0.030 1 818 74 74 PRO HB2 H 2.241 0.030 2 819 74 74 PRO HB3 H 2.053 0.030 2 820 74 74 PRO HD2 H 3.739 0.030 1 821 74 74 PRO HD3 H 3.739 0.030 1 822 74 74 PRO HG2 H 1.960 0.030 2 823 74 74 PRO HG3 H 2.085 0.030 2 824 74 74 PRO C C 177.381 0.300 1 825 74 74 PRO CA C 62.372 0.300 1 826 74 74 PRO CB C 32.348 0.300 1 827 74 74 PRO CD C 50.244 0.300 1 828 74 74 PRO CG C 26.706 0.300 1 829 75 75 GLY H H 8.407 0.030 1 830 75 75 GLY HA2 H 4.061 0.030 2 831 75 75 GLY HA3 H 3.922 0.030 2 832 75 75 GLY C C 175.022 0.300 1 833 75 75 GLY CA C 46.287 0.300 1 834 75 75 GLY N N 105.751 0.300 1 835 76 76 LYS H H 8.647 0.030 1 836 76 76 LYS HA H 4.484 0.030 1 837 76 76 LYS HB2 H 2.012 0.030 2 838 76 76 LYS HB3 H 1.477 0.030 2 839 76 76 LYS HD2 H 1.636 0.030 1 840 76 76 LYS HD3 H 1.636 0.030 1 841 76 76 LYS HE2 H 2.964 0.030 1 842 76 76 LYS HE3 H 2.964 0.030 1 843 76 76 LYS HG2 H 1.297 0.030 2 844 76 76 LYS HG3 H 1.417 0.030 2 845 76 76 LYS C C 176.243 0.300 1 846 76 76 LYS CA C 55.750 0.300 1 847 76 76 LYS CB C 33.333 0.300 1 848 76 76 LYS CD C 29.299 0.300 1 849 76 76 LYS CE C 42.064 0.300 1 850 76 76 LYS CG C 24.793 0.300 1 851 76 76 LYS N N 119.386 0.300 1 852 77 77 ASN HA H 4.618 0.030 1 853 77 77 ASN HB2 H 3.074 0.030 2 854 77 77 ASN HB3 H 2.710 0.030 2 855 77 77 ASN HD21 H 7.603 0.030 2 856 77 77 ASN HD22 H 6.943 0.030 2 857 77 77 ASN C C 176.290 0.300 1 858 77 77 ASN CA C 54.154 0.300 1 859 77 77 ASN CB C 37.722 0.300 1 860 77 77 ASN ND2 N 113.314 0.300 1 861 78 78 ILE H H 8.045 0.030 1 862 78 78 ILE HA H 3.651 0.030 1 863 78 78 ILE HB H 1.693 0.030 1 864 78 78 ILE HD1 H 0.784 0.030 1 865 78 78 ILE HG12 H 1.416 0.030 2 866 78 78 ILE HG13 H 1.011 0.030 2 867 78 78 ILE HG2 H 0.443 0.030 1 868 78 78 ILE C C 177.605 0.300 1 869 78 78 ILE CA C 63.888 0.300 1 870 78 78 ILE CB C 37.225 0.300 1 871 78 78 ILE CD1 C 13.306 0.300 1 872 78 78 ILE CG1 C 30.231 0.300 1 873 78 78 ILE CG2 C 17.955 0.300 1 874 78 78 ILE N N 119.592 0.300 1 875 79 79 GLY H H 9.133 0.030 1 876 79 79 GLY HA2 H 3.714 0.030 2 877 79 79 GLY HA3 H 3.558 0.030 2 878 79 79 GLY C C 174.742 0.300 1 879 79 79 GLY CA C 48.261 0.300 1 880 79 79 GLY N N 110.849 0.300 1 881 80 80 SER H H 7.371 0.030 1 882 80 80 SER HA H 3.875 0.030 1 883 80 80 SER HB2 H 3.768 0.030 1 884 80 80 SER HB3 H 3.768 0.030 1 885 80 80 SER C C 176.562 0.300 1 886 80 80 SER CA C 61.266 0.300 1 887 80 80 SER CB C 62.609 0.300 1 888 80 80 SER N N 115.208 0.300 1 889 81 81 LEU H H 7.259 0.030 1 890 81 81 LEU HA H 3.924 0.030 1 891 81 81 LEU HB2 H 1.764 0.030 2 892 81 81 LEU HB3 H 1.611 0.030 2 893 81 81 LEU HD1 H 0.927 0.030 1 894 81 81 LEU HD2 H 0.855 0.030 1 895 81 81 LEU HG H 1.504 0.030 1 896 81 81 LEU C C 178.571 0.300 1 897 81 81 LEU CA C 57.390 0.300 1 898 81 81 LEU CB C 42.140 0.300 1 899 81 81 LEU CD1 C 24.727 0.300 2 900 81 81 LEU CD2 C 24.256 0.300 2 901 81 81 LEU CG C 26.765 0.300 1 902 81 81 LEU N N 124.325 0.300 1 903 82 82 LEU H H 8.386 0.030 1 904 82 82 LEU HA H 3.898 0.030 1 905 82 82 LEU HB2 H 2.190 0.030 2 906 82 82 LEU HB3 H 1.402 0.030 2 907 82 82 LEU HD1 H 0.996 0.030 1 908 82 82 LEU HD2 H 0.874 0.030 1 909 82 82 LEU HG H 1.975 0.030 1 910 82 82 LEU C C 177.899 0.300 1 911 82 82 LEU CA C 57.869 0.300 1 912 82 82 LEU CB C 40.948 0.300 1 913 82 82 LEU CD1 C 26.912 0.300 2 914 82 82 LEU CD2 C 22.854 0.300 2 915 82 82 LEU CG C 26.111 0.300 1 916 82 82 LEU N N 117.334 0.300 1 917 83 83 ARG H H 7.649 0.030 1 918 83 83 ARG HA H 2.212 0.030 1 919 83 83 ARG HB2 H 1.184 0.030 2 920 83 83 ARG HB3 H -0.336 0.030 2 921 83 83 ARG HD2 H 2.691 0.030 2 922 83 83 ARG HD3 H 2.630 0.030 2 923 83 83 ARG HG2 H 0.695 0.030 2 924 83 83 ARG HG3 H 1.037 0.030 2 925 83 83 ARG C C 177.481 0.300 1 926 83 83 ARG CA C 59.126 0.300 1 927 83 83 ARG CB C 28.396 0.300 1 928 83 83 ARG CD C 43.987 0.300 1 929 83 83 ARG CG C 26.836 0.300 1 930 83 83 ARG N N 119.667 0.300 1 931 84 84 SER H H 7.223 0.030 1 932 84 84 SER HA H 4.151 0.030 1 933 84 84 SER HB2 H 3.736 0.030 1 934 84 84 SER HB3 H 3.736 0.030 1 935 84 84 SER C C 177.280 0.300 1 936 84 84 SER CA C 61.513 0.300 1 937 84 84 SER CB C 62.570 0.300 1 938 84 84 SER N N 112.947 0.300 1 939 85 85 HIS H H 8.128 0.030 1 940 85 85 HIS HA H 4.740 0.030 1 941 85 85 HIS HB2 H 2.672 0.030 2 942 85 85 HIS HB3 H 2.898 0.030 2 943 85 85 HIS HD2 H 6.292 0.030 1 944 85 85 HIS HE1 H 7.711 0.030 1 945 85 85 HIS C C 178.261 0.300 1 946 85 85 HIS CA C 58.871 0.300 1 947 85 85 HIS CB C 31.081 0.300 1 948 85 85 HIS CD2 C 116.505 0.300 1 949 85 85 HIS CE1 C 139.468 0.300 1 950 85 85 HIS N N 119.521 0.300 1 951 86 86 TYR H H 9.198 0.030 1 952 86 86 TYR HA H 3.859 0.030 1 953 86 86 TYR HB2 H 3.481 0.030 2 954 86 86 TYR HB3 H 3.205 0.030 2 955 86 86 TYR HD1 H 6.932 0.030 1 956 86 86 TYR HD2 H 6.932 0.030 1 957 86 86 TYR C C 178.674 0.300 1 958 86 86 TYR CA C 63.495 0.300 1 959 86 86 TYR CB C 39.570 0.300 1 960 86 86 TYR CD1 C 133.143 0.300 1 961 86 86 TYR CD2 C 133.143 0.300 1 962 86 86 TYR N N 120.872 0.300 1 963 87 87 GLU H H 8.978 0.030 1 964 87 87 GLU HA H 3.679 0.030 1 965 87 87 GLU HB2 H 2.432 0.030 2 966 87 87 GLU HB3 H 1.972 0.030 2 967 87 87 GLU HG2 H 2.623 0.030 2 968 87 87 GLU HG3 H 2.261 0.030 2 969 87 87 GLU C C 177.452 0.300 1 970 87 87 GLU CA C 59.484 0.300 1 971 87 87 GLU CB C 29.646 0.300 1 972 87 87 GLU CG C 37.485 0.300 1 973 87 87 GLU N N 119.474 0.300 1 974 88 88 ARG H H 8.003 0.030 1 975 88 88 ARG HA H 4.267 0.030 1 976 88 88 ARG HB2 H 1.971 0.030 2 977 88 88 ARG HB3 H 1.890 0.030 2 978 88 88 ARG HD2 H 3.169 0.030 1 979 88 88 ARG HD3 H 3.169 0.030 1 980 88 88 ARG HG2 H 1.794 0.030 2 981 88 88 ARG HG3 H 1.596 0.030 2 982 88 88 ARG C C 177.679 0.300 1 983 88 88 ARG CA C 58.347 0.300 1 984 88 88 ARG CB C 31.801 0.300 1 985 88 88 ARG CD C 43.288 0.300 1 986 88 88 ARG CG C 28.101 0.300 1 987 88 88 ARG N N 115.022 0.300 1 988 89 89 ILE H H 8.161 0.030 1 989 89 89 ILE HA H 4.216 0.030 1 990 89 89 ILE HB H 1.784 0.030 1 991 89 89 ILE HD1 H 0.788 0.030 1 992 89 89 ILE HG12 H 0.751 0.030 2 993 89 89 ILE HG13 H 1.738 0.030 2 994 89 89 ILE HG2 H 0.893 0.030 1 995 89 89 ILE C C 176.077 0.300 1 996 89 89 ILE CA C 63.859 0.300 1 997 89 89 ILE CB C 40.680 0.300 1 998 89 89 ILE CD1 C 14.344 0.300 1 999 89 89 ILE CG1 C 27.591 0.300 1 1000 89 89 ILE CG2 C 18.910 0.300 1 1001 89 89 ILE N N 113.866 0.300 1 1002 90 90 ILE H H 7.299 0.030 1 1003 90 90 ILE HA H 4.154 0.030 1 1004 90 90 ILE HB H 1.086 0.030 1 1005 90 90 ILE HD1 H 1.116 0.030 1 1006 90 90 ILE HG12 H 1.599 0.030 2 1007 90 90 ILE HG13 H 1.244 0.030 2 1008 90 90 ILE HG2 H 0.911 0.030 1 1009 90 90 ILE C C 177.074 0.300 1 1010 90 90 ILE CA C 63.675 0.300 1 1011 90 90 ILE CB C 39.075 0.300 1 1012 90 90 ILE CD1 C 14.701 0.300 1 1013 90 90 ILE CG1 C 28.193 0.300 1 1014 90 90 ILE CG2 C 19.288 0.300 1 1015 90 90 ILE N N 117.619 0.300 1 1016 91 91 TYR H H 8.485 0.030 1 1017 91 91 TYR HA H 4.212 0.030 1 1018 91 91 TYR HB2 H 2.711 0.030 2 1019 91 91 TYR HB3 H 3.273 0.030 2 1020 91 91 TYR HD1 H 6.931 0.030 1 1021 91 91 TYR HD2 H 6.931 0.030 1 1022 91 91 TYR HE1 H 6.830 0.030 1 1023 91 91 TYR HE2 H 6.830 0.030 1 1024 91 91 TYR C C 172.941 0.300 1 1025 91 91 TYR CA C 61.864 0.300 1 1026 91 91 TYR CB C 36.910 0.300 1 1027 91 91 TYR CD1 C 132.000 0.300 1 1028 91 91 TYR CD2 C 132.000 0.300 1 1029 91 91 TYR CE1 C 118.619 0.300 1 1030 91 91 TYR CE2 C 118.619 0.300 1 1031 91 91 TYR N N 121.374 0.300 1 1032 92 92 PRO HA H 4.153 0.030 1 1033 92 92 PRO HB2 H 2.595 0.030 2 1034 92 92 PRO HB3 H 1.746 0.030 2 1035 92 92 PRO HD2 H 3.207 0.030 2 1036 92 92 PRO HD3 H 4.294 0.030 2 1037 92 92 PRO HG2 H 2.205 0.030 2 1038 92 92 PRO HG3 H 2.472 0.030 2 1039 92 92 PRO C C 178.670 0.300 1 1040 92 92 PRO CA C 65.854 0.300 1 1041 92 92 PRO CB C 31.505 0.300 1 1042 92 92 PRO CD C 50.821 0.300 1 1043 92 92 PRO CG C 29.370 0.300 1 1044 93 93 TYR H H 6.535 0.030 1 1045 93 93 TYR HA H 2.793 0.030 1 1046 93 93 TYR HB2 H 2.273 0.030 2 1047 93 93 TYR HB3 H 2.963 0.030 2 1048 93 93 TYR HD1 H 6.516 0.030 1 1049 93 93 TYR HD2 H 6.516 0.030 1 1050 93 93 TYR HE1 H 6.560 0.030 1 1051 93 93 TYR HE2 H 6.560 0.030 1 1052 93 93 TYR C C 176.662 0.300 1 1053 93 93 TYR CA C 59.020 0.300 1 1054 93 93 TYR CB C 37.839 0.300 1 1055 93 93 TYR CD1 C 132.878 0.300 1 1056 93 93 TYR CD2 C 132.878 0.300 1 1057 93 93 TYR CE1 C 117.479 0.300 1 1058 93 93 TYR CE2 C 117.479 0.300 1 1059 93 93 TYR N N 115.862 0.300 1 1060 94 94 GLU H H 8.191 0.030 1 1061 94 94 GLU HA H 3.605 0.030 1 1062 94 94 GLU HB2 H 2.055 0.030 2 1063 94 94 GLU HB3 H 1.897 0.030 2 1064 94 94 GLU HG2 H 2.500 0.030 2 1065 94 94 GLU HG3 H 2.271 0.030 2 1066 94 94 GLU C C 179.799 0.300 1 1067 94 94 GLU CA C 59.039 0.300 1 1068 94 94 GLU CB C 28.986 0.300 1 1069 94 94 GLU CG C 36.919 0.300 1 1070 94 94 GLU N N 119.549 0.300 1 1071 95 95 MET H H 8.131 0.030 1 1072 95 95 MET HA H 4.155 0.030 1 1073 95 95 MET HB2 H 1.933 0.030 2 1074 95 95 MET HB3 H 1.871 0.030 2 1075 95 95 MET HE H 1.861 0.030 1 1076 95 95 MET HG2 H 1.699 0.030 1 1077 95 95 MET HG3 H 1.699 0.030 1 1078 95 95 MET C C 178.214 0.300 1 1079 95 95 MET CA C 56.776 0.300 1 1080 95 95 MET CB C 31.743 0.300 1 1081 95 95 MET CE C 16.957 0.300 1 1082 95 95 MET CG C 31.671 0.300 1 1083 95 95 MET N N 117.054 0.300 1 1084 96 96 PHE H H 7.327 0.030 1 1085 96 96 PHE HA H 4.280 0.030 1 1086 96 96 PHE HB2 H 3.186 0.030 2 1087 96 96 PHE HB3 H 2.900 0.030 2 1088 96 96 PHE HD1 H 7.210 0.030 1 1089 96 96 PHE HD2 H 7.210 0.030 1 1090 96 96 PHE HE1 H 7.387 0.030 1 1091 96 96 PHE HE2 H 7.387 0.030 1 1092 96 96 PHE HZ H 7.322 0.030 1 1093 96 96 PHE C C 177.196 0.300 1 1094 96 96 PHE CA C 59.919 0.300 1 1095 96 96 PHE CB C 39.402 0.300 1 1096 96 96 PHE CD1 C 132.248 0.300 1 1097 96 96 PHE CD2 C 132.248 0.300 1 1098 96 96 PHE CE1 C 131.432 0.300 1 1099 96 96 PHE CE2 C 131.432 0.300 1 1100 96 96 PHE CZ C 129.998 0.300 1 1101 96 96 PHE N N 121.534 0.300 1 1102 97 97 GLN H H 7.937 0.030 1 1103 97 97 GLN HA H 3.865 0.030 1 1104 97 97 GLN HB2 H 1.768 0.030 2 1105 97 97 GLN HB3 H 1.867 0.030 2 1106 97 97 GLN HE21 H 6.789 0.030 2 1107 97 97 GLN HE22 H 6.703 0.030 2 1108 97 97 GLN HG2 H 1.964 0.030 1 1109 97 97 GLN HG3 H 1.964 0.030 1 1110 97 97 GLN C C 176.544 0.300 1 1111 97 97 GLN CA C 56.566 0.300 1 1112 97 97 GLN CB C 29.015 0.300 1 1113 97 97 GLN CG C 33.420 0.300 1 1114 97 97 GLN N N 119.107 0.300 1 1115 97 97 GLN NE2 N 111.823 0.300 1 1116 98 98 SER H H 7.789 0.030 1 1117 98 98 SER HA H 4.281 0.030 1 1118 98 98 SER HB2 H 3.923 0.030 2 1119 98 98 SER HB3 H 3.881 0.030 2 1120 98 98 SER C C 175.025 0.300 1 1121 98 98 SER CA C 59.200 0.300 1 1122 98 98 SER CB C 63.790 0.300 1 1123 98 98 SER N N 114.456 0.300 1 1124 99 99 GLY H H 7.909 0.030 1 1125 99 99 GLY HA2 H 3.893 0.030 1 1126 99 99 GLY HA3 H 3.893 0.030 1 1127 99 99 GLY C C 172.952 0.300 1 1128 99 99 GLY CA C 45.461 0.300 1 1129 99 99 GLY N N 110.672 0.300 1 1130 100 100 ALA H H 7.658 0.030 1 1131 100 100 ALA HA H 4.080 0.030 1 1132 100 100 ALA HB H 1.258 0.030 1 1133 100 100 ALA C C 182.449 0.300 1 1134 100 100 ALA CA C 53.703 0.300 1 1135 100 100 ALA CB C 20.123 0.300 1 1136 100 100 ALA N N 129.189 0.300 1 stop_ save_