data_11264 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Solution Structure of Ras-binding Domain in Mouse AF-6 Protein ; _BMRB_accession_number 11264 _BMRB_flat_file_name bmr11264.str _Entry_type original _Submission_date 2010-08-09 _Accession_date 2010-08-09 _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 Zhao C. . . 2 Tomizawa T. . . 3 Koshiba S. . . 4 Inoue M. . . 5 Kigawa T. . . 6 Yokoyama S. . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 628 "13C chemical shifts" 470 "15N chemical shifts" 100 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2011-08-18 original author . stop_ _Original_release_date 2011-08-18 save_ ############################# # Citation for this entry # ############################# save_citation_1 _Saveframe_category entry_citation _Citation_full . _Citation_title 'Solution Structure of Ras-binding Domain in Mouse AF-6 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 Zhao C. . . 2 Tomizawa T. . . 3 Koshiba S. . . 4 Inoue M. . . 5 Kigawa T. . . 6 Yokoyama S. . . stop_ _Journal_abbreviation . _Journal_volume . _Journal_issue . _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first . _Page_last . _Year . _Details . save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name Afadin _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label 'Ras-binding 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 'Ras-binding domain' _Molecular_mass . _Mol_thiol_state 'all free' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 116 _Mol_residue_sequence ; GSSGSSGSGGTLRIYADSLK PNIPYKTILLSTTDTADFAV AESLEKYGLEKENPKDYCIA RVMLPPGAQHSDERGAKEII LDDDECPLQIFREWPSDKGI LVFQLKRRPPSGPSSG ; loop_ _Residue_seq_code _Residue_label 1 GLY 2 SER 3 SER 4 GLY 5 SER 6 SER 7 GLY 8 SER 9 GLY 10 GLY 11 THR 12 LEU 13 ARG 14 ILE 15 TYR 16 ALA 17 ASP 18 SER 19 LEU 20 LYS 21 PRO 22 ASN 23 ILE 24 PRO 25 TYR 26 LYS 27 THR 28 ILE 29 LEU 30 LEU 31 SER 32 THR 33 THR 34 ASP 35 THR 36 ALA 37 ASP 38 PHE 39 ALA 40 VAL 41 ALA 42 GLU 43 SER 44 LEU 45 GLU 46 LYS 47 TYR 48 GLY 49 LEU 50 GLU 51 LYS 52 GLU 53 ASN 54 PRO 55 LYS 56 ASP 57 TYR 58 CYS 59 ILE 60 ALA 61 ARG 62 VAL 63 MET 64 LEU 65 PRO 66 PRO 67 GLY 68 ALA 69 GLN 70 HIS 71 SER 72 ASP 73 GLU 74 ARG 75 GLY 76 ALA 77 LYS 78 GLU 79 ILE 80 ILE 81 LEU 82 ASP 83 ASP 84 ASP 85 GLU 86 CYS 87 PRO 88 LEU 89 GLN 90 ILE 91 PHE 92 ARG 93 GLU 94 TRP 95 PRO 96 SER 97 ASP 98 LYS 99 GLY 100 ILE 101 LEU 102 VAL 103 PHE 104 GLN 105 LEU 106 LYS 107 ARG 108 ARG 109 PRO 110 PRO 111 SER 112 GLY 113 PRO 114 SER 115 SER 116 GLY stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2015-01-31 loop_ _Database_name _Database_accession_code _Database_entry_mol_name _Sequence_query_to_submitted_percentage _Sequence_subject_length _Sequence_identity _Sequence_positive _Sequence_homology_expectation_value PDB 1WXA "Solution Structure Of Ras-Binding Domain In Mouse Af-6 Protein" 100.00 116 100.00 100.00 1.02e-77 GB AAH14505 "MLLT4 protein, partial [Homo sapiens]" 52.59 388 98.36 100.00 3.75e-35 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 'house mouse' 10090 Eukaryota Metazoa Mus musculus stop_ save_ ######################### # Experimental source # ######################### save_experimental_source _Saveframe_category experimental_source loop_ _Mol_label _Production_method _Host_organism_name_common _Genus _Species _Strain _Vector_type _Vector_name $entity_1 'cell free synthesis' . Escherichia coli . plasmid P040719-08 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Saveframe_category sample _Sample_type solution _Details ; 1.28mM protein U-15N, {13C;} 20mM d-Tris-HCl {(pH7.0);} 100mM {NaCl;} 1mM {d-DTT;} 0.02% {NaN3;} 10% D2O ; loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $entity_1 1.28 mM '[U-13C; U-15N]' d-Tris-HCl 20 mM 'natural abundance' NaCl 100 mM 'natural abundance' d-DTT 1 mM 'natural abundance' NaN3 0.02 % 'natural abundance' H2O 90 % . D2O 10 % . stop_ save_ ############################ # Computer software used # ############################ save_XWINNMR _Saveframe_category software _Name xwinnmr _Version 2.6 loop_ _Vendor _Address _Electronic_address Bruker . . 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 0.921 loop_ _Vendor _Address _Electronic_address 'Kobayashi, N.' . . stop_ loop_ _Task 'data analysis' stop_ _Details . save_ save_CYANA _Saveframe_category software _Name CYANA _Version 1.0.8 loop_ _Vendor _Address _Electronic_address 'Guntert, P.' . . stop_ loop_ _Task refinement 'structure solution' stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model AVANCE _Field_strength 800 _Details . save_ ############################# # NMR applied experiments # ############################# save_3D_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' 100 0.1 mM pH 7.0 0.05 pH pressure 1 0.001 atm temperature 298.0 0.1 K stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_reference_1 _Saveframe_category chemical_shift_reference _Details ; Chemical shift reference of 1H was based on the proton of water (4.784ppm at 298K) and then those of 15N and 13C were calculated based on their gyromagnetic ratios. ; loop_ _Mol_common_name _Atom_type _Atom_isotope_number _Atom_group _Chem_shift_units _Chem_shift_value _Reference_method _Reference_type _External_reference_sample_geometry _External_reference_location _External_reference_axis _Indirect_shift_ratio DSS C 13 'methyl protons' ppm 0.0 . indirect . . . 0.251449530 DSS H 1 'methyl protons' ppm 0.0 . indirect . . . 1.0 DSS N 15 'methyl protons' ppm 0.0 . indirect . . . 0.101329118 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_chemical_shift_1 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Software_label $XWINNMR $NMRPipe $NMRview $Kujira $CYANA stop_ loop_ _Experiment_label '3D 15N-separated NOESY' '3D 13C-separated NOESY' stop_ loop_ _Sample_label $sample_1 stop_ _Sample_conditions_label $condition_1 _Chem_shift_reference_set_label $reference_1 _Mol_system_component_name 'Ras-binding 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 SER HA H 4.532 0.030 1 2 8 8 SER HB2 H 3.916 0.030 1 3 8 8 SER HB3 H 3.916 0.030 1 4 8 8 SER C C 174.468 0.300 1 5 8 8 SER CA C 58.313 0.300 1 6 8 8 SER CB C 64.149 0.300 1 7 9 9 GLY H H 8.292 0.030 1 8 9 9 GLY HA2 H 3.905 0.030 2 9 9 9 GLY HA3 H 4.327 0.030 2 10 9 9 GLY C C 173.482 0.300 1 11 9 9 GLY CA C 45.129 0.300 1 12 9 9 GLY N N 110.185 0.300 1 13 10 10 GLY H H 8.712 0.030 1 14 10 10 GLY HA2 H 3.905 0.030 2 15 10 10 GLY HA3 H 4.304 0.030 2 16 10 10 GLY C C 171.414 0.300 1 17 10 10 GLY CA C 45.359 0.300 1 18 10 10 GLY N N 108.680 0.300 1 19 11 11 THR H H 7.877 0.030 1 20 11 11 THR HA H 5.286 0.030 1 21 11 11 THR HB H 3.895 0.030 1 22 11 11 THR HG2 H 1.044 0.030 1 23 11 11 THR C C 174.102 0.300 1 24 11 11 THR CA C 59.654 0.300 1 25 11 11 THR CB C 71.470 0.300 1 26 11 11 THR CG2 C 21.872 0.300 1 27 11 11 THR N N 110.551 0.300 1 28 12 12 LEU H H 8.523 0.030 1 29 12 12 LEU HA H 4.270 0.030 1 30 12 12 LEU HB2 H 1.196 0.030 2 31 12 12 LEU HB3 H 0.924 0.030 2 32 12 12 LEU HD1 H 0.153 0.030 1 33 12 12 LEU HD2 H 0.217 0.030 1 34 12 12 LEU HG H 1.207 0.030 1 35 12 12 LEU C C 175.149 0.300 1 36 12 12 LEU CA C 53.371 0.300 1 37 12 12 LEU CB C 47.205 0.300 1 38 12 12 LEU CD1 C 25.010 0.300 2 39 12 12 LEU CD2 C 24.710 0.300 2 40 12 12 LEU CG C 26.215 0.300 1 41 12 12 LEU N N 121.487 0.300 1 42 13 13 ARG H H 8.204 0.030 1 43 13 13 ARG HA H 4.475 0.030 1 44 13 13 ARG HB2 H 1.599 0.030 2 45 13 13 ARG HB3 H 0.983 0.030 2 46 13 13 ARG HD2 H 1.642 0.030 2 47 13 13 ARG HD3 H 2.553 0.030 2 48 13 13 ARG HG2 H 1.381 0.030 2 49 13 13 ARG HG3 H 0.989 0.030 2 50 13 13 ARG C C 174.893 0.300 1 51 13 13 ARG CA C 56.054 0.300 1 52 13 13 ARG CB C 31.203 0.300 1 53 13 13 ARG CD C 43.668 0.300 1 54 13 13 ARG CG C 26.745 0.300 1 55 13 13 ARG N N 123.352 0.300 1 56 14 14 ILE H H 8.828 0.030 1 57 14 14 ILE HA H 4.635 0.030 1 58 14 14 ILE HB H 1.873 0.030 1 59 14 14 ILE HD1 H 0.515 0.030 1 60 14 14 ILE HG12 H 1.369 0.030 2 61 14 14 ILE HG13 H 1.471 0.030 2 62 14 14 ILE HG2 H 0.962 0.030 1 63 14 14 ILE C C 176.328 0.300 1 64 14 14 ILE CA C 58.277 0.300 1 65 14 14 ILE CB C 38.417 0.300 1 66 14 14 ILE CD1 C 9.888 0.300 1 67 14 14 ILE CG1 C 25.382 0.300 1 68 14 14 ILE CG2 C 17.019 0.300 1 69 14 14 ILE N N 123.999 0.300 1 70 15 15 TYR H H 9.047 0.030 1 71 15 15 TYR HA H 4.601 0.030 1 72 15 15 TYR HB2 H 2.819 0.030 2 73 15 15 TYR HB3 H 3.139 0.030 2 74 15 15 TYR HD1 H 7.475 0.030 1 75 15 15 TYR HD2 H 7.475 0.030 1 76 15 15 TYR HE1 H 6.709 0.030 1 77 15 15 TYR HE2 H 6.709 0.030 1 78 15 15 TYR C C 174.176 0.300 1 79 15 15 TYR CA C 59.124 0.300 1 80 15 15 TYR CB C 40.954 0.300 1 81 15 15 TYR CD1 C 134.502 0.300 1 82 15 15 TYR CD2 C 134.502 0.300 1 83 15 15 TYR CE1 C 117.771 0.300 1 84 15 15 TYR CE2 C 117.771 0.300 1 85 15 15 TYR N N 130.751 0.300 1 86 16 16 ALA H H 8.885 0.030 1 87 16 16 ALA HA H 5.035 0.030 1 88 16 16 ALA HB H 0.623 0.030 1 89 16 16 ALA C C 178.324 0.300 1 90 16 16 ALA CA C 50.793 0.300 1 91 16 16 ALA CB C 18.500 0.300 1 92 16 16 ALA N N 124.305 0.300 1 93 17 17 ASP H H 8.523 0.030 1 94 17 17 ASP HA H 4.338 0.030 1 95 17 17 ASP HB2 H 2.558 0.030 2 96 17 17 ASP HB3 H 2.706 0.030 2 97 17 17 ASP C C 177.411 0.300 1 98 17 17 ASP CA C 58.348 0.300 1 99 17 17 ASP CB C 41.653 0.300 1 100 17 17 ASP N N 121.363 0.300 1 101 18 18 SER H H 8.859 0.030 1 102 18 18 SER HA H 4.327 0.030 1 103 18 18 SER HB2 H 3.893 0.030 1 104 18 18 SER HB3 H 3.893 0.030 1 105 18 18 SER C C 174.553 0.300 1 106 18 18 SER CA C 59.866 0.300 1 107 18 18 SER CB C 63.491 0.300 1 108 18 18 SER N N 111.457 0.300 1 109 19 19 LEU H H 7.651 0.030 1 110 19 19 LEU HA H 4.487 0.030 1 111 19 19 LEU HB2 H 1.413 0.030 2 112 19 19 LEU HB3 H 1.565 0.030 2 113 19 19 LEU HD1 H 0.844 0.030 1 114 19 19 LEU HD2 H 0.673 0.030 1 115 19 19 LEU HG H 1.574 0.030 1 116 19 19 LEU C C 176.694 0.300 1 117 19 19 LEU CA C 55.842 0.300 1 118 19 19 LEU CB C 43.776 0.300 1 119 19 19 LEU CD1 C 23.568 0.300 2 120 19 19 LEU CD2 C 25.421 0.300 2 121 19 19 LEU CG C 26.745 0.300 1 122 19 19 LEU N N 121.302 0.300 1 123 20 20 LYS H H 8.111 0.030 1 124 20 20 LYS HA H 4.700 0.030 1 125 20 20 LYS HB2 H 1.731 0.030 2 126 20 20 LYS HB3 H 1.825 0.030 2 127 20 20 LYS HD2 H 1.725 0.030 2 128 20 20 LYS HD3 H 1.841 0.030 2 129 20 20 LYS HE2 H 3.047 0.030 2 130 20 20 LYS HE3 H 2.946 0.030 2 131 20 20 LYS HG2 H 1.271 0.030 2 132 20 20 LYS HG3 H 1.438 0.030 2 133 20 20 LYS C C 172.600 0.300 1 134 20 20 LYS CA C 53.230 0.300 1 135 20 20 LYS CB C 33.634 0.300 1 136 20 20 LYS CD C 29.392 0.300 1 137 20 20 LYS CE C 42.362 0.300 1 138 20 20 LYS CG C 24.362 0.300 1 139 20 20 LYS N N 118.148 0.300 1 140 21 21 PRO HA H 4.487 0.030 1 141 21 21 PRO HB2 H 2.399 0.030 2 142 21 21 PRO HB3 H 1.953 0.030 2 143 21 21 PRO HD2 H 3.414 0.030 2 144 21 21 PRO HD3 H 3.654 0.030 2 145 21 21 PRO HG2 H 1.999 0.030 1 146 21 21 PRO HG3 H 1.999 0.030 1 147 21 21 PRO C C 177.302 0.300 1 148 21 21 PRO CA C 63.925 0.300 1 149 21 21 PRO CB C 32.181 0.300 1 150 21 21 PRO CD C 50.331 0.300 1 151 21 21 PRO CG C 27.136 0.300 1 152 22 22 ASN H H 8.885 0.030 1 153 22 22 ASN HA H 4.521 0.030 1 154 22 22 ASN HB2 H 2.923 0.030 1 155 22 22 ASN HB3 H 2.923 0.030 1 156 22 22 ASN HD21 H 6.953 0.030 2 157 22 22 ASN HD22 H 7.599 0.030 2 158 22 22 ASN C C 174.468 0.300 1 159 22 22 ASN CA C 54.183 0.300 1 160 22 22 ASN CB C 37.788 0.300 1 161 22 22 ASN N N 114.759 0.300 1 162 22 22 ASN ND2 N 113.693 0.300 1 163 23 23 ILE H H 7.723 0.030 1 164 23 23 ILE HA H 4.628 0.030 1 165 23 23 ILE HB H 2.044 0.030 1 166 23 23 ILE HD1 H 0.881 0.030 1 167 23 23 ILE HG12 H 1.276 0.030 2 168 23 23 ILE HG13 H 1.502 0.030 2 169 23 23 ILE HG2 H 0.891 0.030 1 170 23 23 ILE C C 173.982 0.300 1 171 23 23 ILE CA C 57.889 0.300 1 172 23 23 ILE CB C 38.921 0.300 1 173 23 23 ILE CD1 C 13.003 0.300 1 174 23 23 ILE CG1 C 27.009 0.300 1 175 23 23 ILE CG2 C 17.634 0.300 1 176 23 23 ILE N N 120.973 0.300 1 177 24 24 PRO HA H 4.369 0.030 1 178 24 24 PRO HB2 H 2.267 0.030 2 179 24 24 PRO HB3 H 1.732 0.030 2 180 24 24 PRO HD2 H 3.619 0.030 2 181 24 24 PRO HD3 H 3.848 0.030 2 182 24 24 PRO HG2 H 1.896 0.030 1 183 24 24 PRO HG3 H 1.896 0.030 1 184 24 24 PRO C C 176.203 0.300 1 185 24 24 PRO CA C 64.207 0.300 1 186 24 24 PRO CB C 32.303 0.300 1 187 24 24 PRO CD C 50.975 0.300 1 188 24 24 PRO CG C 27.630 0.300 1 189 25 25 TYR H H 6.660 0.030 1 190 25 25 TYR HA H 4.772 0.030 1 191 25 25 TYR HB2 H 2.136 0.030 2 192 25 25 TYR HB3 H 2.341 0.030 2 193 25 25 TYR HD1 H 6.665 0.030 1 194 25 25 TYR HD2 H 6.665 0.030 1 195 25 25 TYR HE1 H 6.635 0.030 1 196 25 25 TYR HE2 H 6.635 0.030 1 197 25 25 TYR C C 174.382 0.300 1 198 25 25 TYR CA C 56.760 0.300 1 199 25 25 TYR CB C 37.376 0.300 1 200 25 25 TYR CD1 C 133.206 0.300 1 201 25 25 TYR CD2 C 133.206 0.300 1 202 25 25 TYR CE1 C 117.723 0.300 1 203 25 25 TYR CE2 C 117.723 0.300 1 204 25 25 TYR N N 111.898 0.300 1 205 26 26 LYS H H 7.588 0.030 1 206 26 26 LYS HA H 4.510 0.030 1 207 26 26 LYS HB2 H 1.122 0.030 2 208 26 26 LYS HB3 H 1.295 0.030 2 209 26 26 LYS HD2 H 1.012 0.030 2 210 26 26 LYS HD3 H 1.383 0.030 2 211 26 26 LYS HE2 H 2.410 0.030 2 212 26 26 LYS HE3 H 2.615 0.030 2 213 26 26 LYS HG2 H -0.011 0.030 2 214 26 26 LYS HG3 H 0.549 0.030 2 215 26 26 LYS C C 174.796 0.300 1 216 26 26 LYS CA C 52.541 0.300 1 217 26 26 LYS CB C 35.733 0.300 1 218 26 26 LYS CD C 27.803 0.300 1 219 26 26 LYS CE C 42.144 0.300 1 220 26 26 LYS CG C 22.941 0.300 1 221 26 26 LYS N N 117.377 0.300 1 222 27 27 THR H H 8.202 0.030 1 223 27 27 THR HA H 5.092 0.030 1 224 27 27 THR HB H 3.848 0.030 1 225 27 27 THR HG2 H 1.052 0.030 1 226 27 27 THR C C 174.370 0.300 1 227 27 27 THR CA C 60.924 0.300 1 228 27 27 THR CB C 70.235 0.300 1 229 27 27 THR CG2 C 21.872 0.300 1 230 27 27 THR N N 114.945 0.300 1 231 28 28 ILE H H 8.596 0.030 1 232 28 28 ILE HA H 4.672 0.030 1 233 28 28 ILE HB H 1.725 0.030 1 234 28 28 ILE HD1 H 0.675 0.030 1 235 28 28 ILE HG12 H 1.265 0.030 2 236 28 28 ILE HG13 H 1.019 0.030 2 237 28 28 ILE HG2 H 0.646 0.030 1 238 28 28 ILE C C 173.226 0.300 1 239 28 28 ILE CA C 58.931 0.300 1 240 28 28 ILE CB C 41.242 0.300 1 241 28 28 ILE CD1 C 14.510 0.300 1 242 28 28 ILE CG1 C 25.162 0.300 1 243 28 28 ILE CG2 C 17.266 0.300 1 244 28 28 ILE N N 117.733 0.300 1 245 29 29 LEU H H 8.279 0.030 1 246 29 29 LEU HA H 4.783 0.030 1 247 29 29 LEU HB2 H 1.440 0.030 2 248 29 29 LEU HB3 H 1.641 0.030 2 249 29 29 LEU HD1 H 0.768 0.030 1 250 29 29 LEU HD2 H 0.772 0.030 1 251 29 29 LEU HG H 1.447 0.030 1 252 29 29 LEU C C 175.928 0.300 1 253 29 29 LEU CA C 54.342 0.300 1 254 29 29 LEU CB C 43.175 0.300 1 255 29 29 LEU CD1 C 24.098 0.300 2 256 29 29 LEU CD2 C 25.157 0.300 2 257 29 29 LEU CG C 27.803 0.300 1 258 29 29 LEU N N 124.368 0.300 1 259 30 30 LEU H H 8.480 0.030 1 260 30 30 LEU HA H 4.989 0.030 1 261 30 30 LEU HB2 H 1.763 0.030 2 262 30 30 LEU HB3 H 1.859 0.030 2 263 30 30 LEU HD1 H 0.955 0.030 1 264 30 30 LEU HD2 H 0.731 0.030 1 265 30 30 LEU HG H 1.622 0.030 1 266 30 30 LEU C C 174.674 0.300 1 267 30 30 LEU CA C 53.742 0.300 1 268 30 30 LEU CB C 46.136 0.300 1 269 30 30 LEU CD1 C 24.247 0.300 2 270 30 30 LEU CD2 C 27.506 0.300 2 271 30 30 LEU CG C 27.218 0.300 1 272 30 30 LEU N N 124.129 0.300 1 273 31 31 SER H H 9.596 0.030 1 274 31 31 SER HA H 5.179 0.030 1 275 31 31 SER HB2 H 3.704 0.030 2 276 31 31 SER HB3 H 3.977 0.030 2 277 31 31 SER C C 177.837 0.300 1 278 31 31 SER CA C 56.474 0.300 1 279 31 31 SER CB C 65.446 0.300 1 280 31 31 SER N N 116.016 0.300 1 281 32 32 THR H H 8.863 0.030 1 282 32 32 THR HA H 3.832 0.030 1 283 32 32 THR HB H 4.448 0.030 1 284 32 32 THR HG2 H 1.240 0.030 1 285 32 32 THR C C 174.066 0.300 1 286 32 32 THR CA C 65.584 0.300 1 287 32 32 THR CB C 68.755 0.300 1 288 32 32 THR CG2 C 23.270 0.300 1 289 32 32 THR N N 114.296 0.300 1 290 33 33 THR H H 7.537 0.030 1 291 33 33 THR HA H 4.559 0.030 1 292 33 33 THR HB H 4.409 0.030 1 293 33 33 THR HG2 H 1.086 0.030 1 294 33 33 THR C C 175.526 0.300 1 295 33 33 THR CA C 61.207 0.300 1 296 33 33 THR CB C 68.918 0.300 1 297 33 33 THR CG2 C 21.715 0.300 1 298 33 33 THR N N 105.825 0.300 1 299 34 34 ASP H H 7.169 0.030 1 300 34 34 ASP HA H 4.738 0.030 1 301 34 34 ASP HB2 H 2.763 0.030 2 302 34 34 ASP HB3 H 2.512 0.030 2 303 34 34 ASP C C 176.937 0.300 1 304 34 34 ASP CA C 55.330 0.300 1 305 34 34 ASP CB C 42.599 0.300 1 306 34 34 ASP N N 124.202 0.300 1 307 35 35 THR H H 8.266 0.030 1 308 35 35 THR HA H 4.932 0.030 1 309 35 35 THR HB H 5.491 0.030 1 310 35 35 THR HG2 H 1.268 0.030 1 311 35 35 THR C C 176.572 0.300 1 312 35 35 THR CA C 60.872 0.300 1 313 35 35 THR CB C 70.276 0.300 1 314 35 35 THR CG2 C 22.914 0.300 1 315 35 35 THR N N 111.812 0.300 1 316 36 36 ALA H H 8.557 0.030 1 317 36 36 ALA HA H 3.760 0.030 1 318 36 36 ALA HB H 1.542 0.030 1 319 36 36 ALA C C 178.069 0.300 1 320 36 36 ALA CA C 55.772 0.300 1 321 36 36 ALA CB C 18.705 0.300 1 322 36 36 ALA N N 124.505 0.300 1 323 37 37 ASP H H 8.609 0.030 1 324 37 37 ASP HA H 4.281 0.030 1 325 37 37 ASP HB2 H 2.731 0.030 2 326 37 37 ASP HB3 H 2.604 0.030 2 327 37 37 ASP C C 179.188 0.300 1 328 37 37 ASP CA C 57.254 0.300 1 329 37 37 ASP CB C 39.451 0.300 1 330 37 37 ASP N N 116.384 0.300 1 331 38 38 PHE H H 7.720 0.030 1 332 38 38 PHE HA H 4.290 0.030 1 333 38 38 PHE HB2 H 3.274 0.030 2 334 38 38 PHE HB3 H 3.349 0.030 2 335 38 38 PHE HD1 H 7.041 0.030 1 336 38 38 PHE HD2 H 7.041 0.030 1 337 38 38 PHE HE1 H 7.283 0.030 1 338 38 38 PHE HE2 H 7.283 0.030 1 339 38 38 PHE HZ H 7.234 0.030 1 340 38 38 PHE C C 176.682 0.300 1 341 38 38 PHE CA C 61.119 0.300 1 342 38 38 PHE CB C 39.227 0.300 1 343 38 38 PHE CD1 C 131.352 0.300 1 344 38 38 PHE CD2 C 131.352 0.300 1 345 38 38 PHE CE1 C 131.623 0.300 1 346 38 38 PHE CE2 C 131.623 0.300 1 347 38 38 PHE CZ C 130.110 0.300 1 348 38 38 PHE N N 125.090 0.300 1 349 39 39 ALA H H 8.319 0.030 1 350 39 39 ALA HA H 3.654 0.030 1 351 39 39 ALA HB H 1.268 0.030 1 352 39 39 ALA C C 180.550 0.300 1 353 39 39 ALA CA C 54.959 0.300 1 354 39 39 ALA CB C 17.975 0.300 1 355 39 39 ALA N N 120.803 0.300 1 356 40 40 VAL H H 9.109 0.030 1 357 40 40 VAL HA H 3.195 0.030 1 358 40 40 VAL HB H 2.204 0.030 1 359 40 40 VAL HG1 H 0.870 0.030 1 360 40 40 VAL HG2 H 0.986 0.030 1 361 40 40 VAL C C 176.547 0.300 1 362 40 40 VAL CA C 67.471 0.300 1 363 40 40 VAL CB C 31.783 0.300 1 364 40 40 VAL CG1 C 23.302 0.300 2 365 40 40 VAL CG2 C 24.364 0.300 2 366 40 40 VAL N N 122.422 0.300 1 367 41 41 ALA H H 7.305 0.030 1 368 41 41 ALA HA H 3.802 0.030 1 369 41 41 ALA HB H 1.451 0.030 1 370 41 41 ALA C C 180.623 0.300 1 371 41 41 ALA CA C 56.142 0.300 1 372 41 41 ALA CB C 17.709 0.300 1 373 41 41 ALA N N 121.984 0.300 1 374 42 42 GLU H H 8.232 0.030 1 375 42 42 GLU HA H 3.837 0.030 1 376 42 42 GLU HB2 H 1.557 0.030 2 377 42 42 GLU HB3 H 1.693 0.030 2 378 42 42 GLU HG2 H 1.583 0.030 2 379 42 42 GLU HG3 H 1.655 0.030 2 380 42 42 GLU C C 179.224 0.300 1 381 42 42 GLU CA C 58.384 0.300 1 382 42 42 GLU CB C 30.262 0.300 1 383 42 42 GLU CG C 36.019 0.300 1 384 42 42 GLU N N 117.369 0.300 1 385 43 43 SER H H 8.161 0.030 1 386 43 43 SER HA H 3.807 0.030 1 387 43 43 SER HB2 H 3.636 0.030 2 388 43 43 SER HB3 H 4.025 0.030 2 389 43 43 SER C C 175.952 0.300 1 390 43 43 SER CA C 63.531 0.300 1 391 43 43 SER CB C 63.412 0.300 1 392 43 43 SER N N 116.337 0.300 1 393 44 44 LEU H H 8.569 0.030 1 394 44 44 LEU HA H 3.590 0.030 1 395 44 44 LEU HB2 H 1.634 0.030 2 396 44 44 LEU HB3 H 1.040 0.030 2 397 44 44 LEU HD1 H 0.390 0.030 1 398 44 44 LEU HD2 H -0.167 0.030 1 399 44 44 LEU HG H 1.463 0.030 1 400 44 44 LEU C C 179.260 0.300 1 401 44 44 LEU CA C 58.507 0.300 1 402 44 44 LEU CB C 40.808 0.300 1 403 44 44 LEU CD1 C 26.436 0.300 2 404 44 44 LEU CD2 C 22.193 0.300 2 405 44 44 LEU CG C 26.480 0.300 1 406 44 44 LEU N N 122.236 0.300 1 407 45 45 GLU H H 7.272 0.030 1 408 45 45 GLU HA H 3.791 0.030 1 409 45 45 GLU HB2 H 2.150 0.030 2 410 45 45 GLU HB3 H 2.055 0.030 2 411 45 45 GLU HG2 H 2.318 0.030 2 412 45 45 GLU HG3 H 2.059 0.030 2 413 45 45 GLU C C 180.513 0.300 1 414 45 45 GLU CA C 60.430 0.300 1 415 45 45 GLU CB C 28.862 0.300 1 416 45 45 GLU CG C 36.009 0.300 1 417 45 45 GLU N N 117.799 0.300 1 418 46 46 LYS H H 7.881 0.030 1 419 46 46 LYS HA H 3.973 0.030 1 420 46 46 LYS HB2 H 1.417 0.030 2 421 46 46 LYS HB3 H 1.771 0.030 2 422 46 46 LYS HD2 H 1.548 0.030 2 423 46 46 LYS HD3 H 1.624 0.030 2 424 46 46 LYS HE2 H 2.979 0.030 2 425 46 46 LYS HE3 H 3.107 0.030 2 426 46 46 LYS HG2 H 1.648 0.030 2 427 46 46 LYS HG3 H 1.397 0.030 2 428 46 46 LYS C C 178.567 0.300 1 429 46 46 LYS CA C 57.642 0.300 1 430 46 46 LYS CB C 31.372 0.300 1 431 46 46 LYS CD C 27.794 0.300 1 432 46 46 LYS CE C 42.435 0.300 1 433 46 46 LYS CG C 24.833 0.300 1 434 46 46 LYS N N 119.073 0.300 1 435 47 47 TYR H H 7.839 0.030 1 436 47 47 TYR HA H 4.110 0.030 1 437 47 47 TYR HB2 H 3.174 0.030 2 438 47 47 TYR HB3 H 2.490 0.030 2 439 47 47 TYR HD1 H 7.043 0.030 1 440 47 47 TYR HD2 H 7.043 0.030 1 441 47 47 TYR HE1 H 6.472 0.030 1 442 47 47 TYR HE2 H 6.472 0.030 1 443 47 47 TYR C C 175.197 0.300 1 444 47 47 TYR CA C 60.924 0.300 1 445 47 47 TYR CB C 38.240 0.300 1 446 47 47 TYR CD1 C 132.370 0.300 1 447 47 47 TYR CD2 C 132.370 0.300 1 448 47 47 TYR CE1 C 117.700 0.300 1 449 47 47 TYR CE2 C 117.700 0.300 1 450 47 47 TYR N N 115.296 0.300 1 451 48 48 GLY H H 7.762 0.030 1 452 48 48 GLY HA2 H 3.988 0.030 2 453 48 48 GLY HA3 H 4.062 0.030 2 454 48 48 GLY C C 175.319 0.300 1 455 48 48 GLY CA C 46.929 0.300 1 456 48 48 GLY N N 108.346 0.300 1 457 49 49 LEU H H 8.279 0.030 1 458 49 49 LEU HA H 4.727 0.030 1 459 49 49 LEU HB2 H 1.315 0.030 2 460 49 49 LEU HB3 H 1.417 0.030 2 461 49 49 LEU HD1 H 0.761 0.030 1 462 49 49 LEU HD2 H 0.560 0.030 1 463 49 49 LEU HG H 1.291 0.030 1 464 49 49 LEU C C 177.520 0.300 1 465 49 49 LEU CA C 53.053 0.300 1 466 49 49 LEU CB C 41.513 0.300 1 467 49 49 LEU CD1 C 22.774 0.300 2 468 49 49 LEU CD2 C 25.714 0.300 2 469 49 49 LEU CG C 26.215 0.300 1 470 49 49 LEU N N 122.914 0.300 1 471 50 50 GLU H H 8.853 0.030 1 472 50 50 GLU HA H 3.950 0.030 1 473 50 50 GLU HB2 H 2.000 0.030 2 474 50 50 GLU HB3 H 2.096 0.030 2 475 50 50 GLU HG2 H 2.097 0.030 2 476 50 50 GLU HG3 H 2.338 0.030 2 477 50 50 GLU C C 176.742 0.300 1 478 50 50 GLU CA C 58.965 0.300 1 479 50 50 GLU CB C 28.598 0.300 1 480 50 50 GLU CG C 35.526 0.300 1 481 50 50 GLU N N 119.463 0.300 1 482 51 51 LYS H H 8.544 0.030 1 483 51 51 LYS HA H 4.331 0.030 1 484 51 51 LYS HB2 H 1.751 0.030 2 485 51 51 LYS HB3 H 1.929 0.030 2 486 51 51 LYS HD2 H 1.598 0.030 2 487 51 51 LYS HD3 H 1.674 0.030 2 488 51 51 LYS HE2 H 2.969 0.030 1 489 51 51 LYS HE3 H 2.969 0.030 1 490 51 51 LYS HG2 H 1.460 0.030 2 491 51 51 LYS HG3 H 1.363 0.030 2 492 51 51 LYS C C 177.508 0.300 1 493 51 51 LYS CA C 56.283 0.300 1 494 51 51 LYS CB C 31.509 0.300 1 495 51 51 LYS CD C 28.812 0.300 1 496 51 51 LYS CE C 42.270 0.300 1 497 51 51 LYS CG C 25.157 0.300 1 498 51 51 LYS N N 118.688 0.300 1 499 52 52 GLU H H 7.476 0.030 1 500 52 52 GLU HA H 4.144 0.030 1 501 52 52 GLU HB2 H 1.953 0.030 2 502 52 52 GLU HB3 H 2.239 0.030 2 503 52 52 GLU HG2 H 2.109 0.030 2 504 52 52 GLU HG3 H 2.229 0.030 2 505 52 52 GLU C C 175.161 0.300 1 506 52 52 GLU CA C 55.119 0.300 1 507 52 52 GLU CB C 30.590 0.300 1 508 52 52 GLU CG C 37.598 0.300 1 509 52 52 GLU N N 118.437 0.300 1 510 53 53 ASN H H 9.215 0.030 1 511 53 53 ASN HA H 4.894 0.030 1 512 53 53 ASN HB2 H 2.809 0.030 2 513 53 53 ASN HB3 H 3.221 0.030 2 514 53 53 ASN HD21 H 6.911 0.030 2 515 53 53 ASN HD22 H 7.690 0.030 2 516 53 53 ASN C C 175.177 0.300 1 517 53 53 ASN CA C 50.159 0.300 1 518 53 53 ASN CB C 38.980 0.300 1 519 53 53 ASN N N 121.698 0.300 1 520 53 53 ASN ND2 N 112.404 0.300 1 521 54 54 PRO HA H 4.083 0.030 1 522 54 54 PRO HB2 H 2.067 0.030 2 523 54 54 PRO HB3 H 2.170 0.030 2 524 54 54 PRO HD2 H 3.919 0.030 2 525 54 54 PRO HD3 H 4.185 0.030 2 526 54 54 PRO HG2 H 1.913 0.030 2 527 54 54 PRO HG3 H 2.084 0.030 2 528 54 54 PRO C C 177.863 0.300 1 529 54 54 PRO CA C 65.097 0.300 1 530 54 54 PRO CB C 32.482 0.300 1 531 54 54 PRO CD C 51.109 0.300 1 532 54 54 PRO CG C 27.539 0.300 1 533 55 55 LYS H H 7.749 0.030 1 534 55 55 LYS HA H 4.201 0.030 1 535 55 55 LYS HB2 H 1.697 0.030 2 536 55 55 LYS HB3 H 1.852 0.030 2 537 55 55 LYS HD2 H 1.695 0.030 2 538 55 55 LYS HD3 H 1.135 0.030 2 539 55 55 LYS HE2 H 2.992 0.030 1 540 55 55 LYS HE3 H 2.992 0.030 1 541 55 55 LYS HG2 H 1.448 0.030 2 542 55 55 LYS HG3 H 1.546 0.030 2 543 55 55 LYS C C 177.995 0.300 1 544 55 55 LYS CA C 57.818 0.300 1 545 55 55 LYS CB C 31.536 0.300 1 546 55 55 LYS CD C 28.781 0.300 1 547 55 55 LYS CE C 42.106 0.300 1 548 55 55 LYS CG C 25.080 0.300 1 549 55 55 LYS N N 113.943 0.300 1 550 56 56 ASP H H 8.074 0.030 1 551 56 56 ASP HA H 4.635 0.030 1 552 56 56 ASP HB2 H 2.946 0.030 2 553 56 56 ASP HB3 H 2.512 0.030 2 554 56 56 ASP C C 175.051 0.300 1 555 56 56 ASP CA C 55.154 0.300 1 556 56 56 ASP CB C 41.077 0.300 1 557 56 56 ASP N N 117.647 0.300 1 558 57 57 TYR H H 8.115 0.030 1 559 57 57 TYR HA H 5.046 0.030 1 560 57 57 TYR HB2 H 2.706 0.030 2 561 57 57 TYR HB3 H 2.889 0.030 2 562 57 57 TYR HD1 H 6.891 0.030 1 563 57 57 TYR HD2 H 6.891 0.030 1 564 57 57 TYR HE1 H 6.737 0.030 1 565 57 57 TYR HE2 H 6.737 0.030 1 566 57 57 TYR C C 172.655 0.300 1 567 57 57 TYR CA C 57.553 0.300 1 568 57 57 TYR CB C 42.892 0.300 1 569 57 57 TYR CD1 C 133.253 0.300 1 570 57 57 TYR CD2 C 133.253 0.300 1 571 57 57 TYR CE1 C 117.810 0.300 1 572 57 57 TYR CE2 C 117.810 0.300 1 573 57 57 TYR N N 120.317 0.300 1 574 58 58 CYS H H 9.328 0.030 1 575 58 58 CYS HA H 4.932 0.030 1 576 58 58 CYS HB2 H 2.812 0.030 2 577 58 58 CYS HB3 H 3.002 0.030 2 578 58 58 CYS C C 171.159 0.300 1 579 58 58 CYS CA C 55.718 0.300 1 580 58 58 CYS CB C 31.774 0.300 1 581 58 58 CYS N N 113.511 0.300 1 582 59 59 ILE H H 9.546 0.030 1 583 59 59 ILE HA H 5.156 0.030 1 584 59 59 ILE HB H 1.656 0.030 1 585 59 59 ILE HD1 H 0.592 0.030 1 586 59 59 ILE HG12 H 1.249 0.030 2 587 59 59 ILE HG13 H 1.411 0.030 2 588 59 59 ILE HG2 H 0.872 0.030 1 589 59 59 ILE C C 174.029 0.300 1 590 59 59 ILE CA C 58.366 0.300 1 591 59 59 ILE CB C 39.720 0.300 1 592 59 59 ILE CD1 C 12.003 0.300 1 593 59 59 ILE CG1 C 28.452 0.300 1 594 59 59 ILE CG2 C 19.327 0.300 1 595 59 59 ILE N N 119.071 0.300 1 596 60 60 ALA H H 9.451 0.030 1 597 60 60 ALA HA H 5.178 0.030 1 598 60 60 ALA HB H 1.056 0.030 1 599 60 60 ALA C C 176.462 0.300 1 600 60 60 ALA CA C 49.224 0.300 1 601 60 60 ALA CB C 22.037 0.300 1 602 60 60 ALA N N 127.432 0.300 1 603 61 61 ARG H H 9.122 0.030 1 604 61 61 ARG HA H 4.863 0.030 1 605 61 61 ARG HB2 H 1.257 0.030 2 606 61 61 ARG HB3 H 1.383 0.030 2 607 61 61 ARG HD2 H 2.756 0.030 2 608 61 61 ARG HD3 H 2.840 0.030 2 609 61 61 ARG HG2 H 1.542 0.030 1 610 61 61 ARG HG3 H 1.542 0.030 1 611 61 61 ARG C C 173.957 0.300 1 612 61 61 ARG CA C 53.300 0.300 1 613 61 61 ARG CB C 32.153 0.300 1 614 61 61 ARG CD C 44.784 0.300 1 615 61 61 ARG CG C 27.054 0.300 1 616 61 61 ARG N N 119.868 0.300 1 617 62 62 VAL H H 9.115 0.030 1 618 62 62 VAL HA H 4.453 0.030 1 619 62 62 VAL HB H 1.783 0.030 1 620 62 62 VAL HG1 H 0.667 0.030 1 621 62 62 VAL HG2 H 0.682 0.030 1 622 62 62 VAL C C 174.248 0.300 1 623 62 62 VAL CA C 61.207 0.300 1 624 62 62 VAL CB C 33.387 0.300 1 625 62 62 VAL CG1 C 21.186 0.300 2 626 62 62 VAL CG2 C 20.657 0.300 2 627 62 62 VAL N N 126.620 0.300 1 628 63 63 MET H H 8.531 0.030 1 629 63 63 MET HA H 4.841 0.030 1 630 63 63 MET HB2 H 1.990 0.030 2 631 63 63 MET HB3 H 2.093 0.030 2 632 63 63 MET HE H 1.865 0.030 1 633 63 63 MET HG2 H 2.242 0.030 2 634 63 63 MET HG3 H 1.818 0.030 2 635 63 63 MET C C 175.440 0.300 1 636 63 63 MET CA C 54.324 0.300 1 637 63 63 MET CB C 32.441 0.300 1 638 63 63 MET CE C 16.497 0.300 1 639 63 63 MET CG C 32.318 0.300 1 640 63 63 MET N N 125.713 0.300 1 641 64 64 LEU H H 8.968 0.030 1 642 64 64 LEU HA H 4.693 0.030 1 643 64 64 LEU HB2 H 1.350 0.030 2 644 64 64 LEU HB3 H 1.624 0.030 2 645 64 64 LEU HD1 H 0.640 0.030 1 646 64 64 LEU HD2 H 0.610 0.030 1 647 64 64 LEU HG H 1.425 0.030 1 648 64 64 LEU C C 174.321 0.300 1 649 64 64 LEU CA C 51.995 0.300 1 650 64 64 LEU CB C 42.352 0.300 1 651 64 64 LEU CD1 C 23.833 0.300 2 652 64 64 LEU CD2 C 25.421 0.300 2 653 64 64 LEU CG C 27.009 0.300 1 654 64 64 LEU N N 126.766 0.300 1 655 65 65 PRO HA H 4.604 0.030 1 656 65 65 PRO HB2 H 2.276 0.030 2 657 65 65 PRO HB3 H 1.826 0.030 2 658 65 65 PRO HD2 H 3.470 0.030 2 659 65 65 PRO HD3 H 3.670 0.030 2 660 65 65 PRO HG2 H 1.965 0.030 1 661 65 65 PRO HG3 H 1.965 0.030 1 662 65 65 PRO CA C 61.416 0.300 1 663 65 65 PRO CB C 30.715 0.300 1 664 65 65 PRO CD C 50.307 0.300 1 665 65 65 PRO CG C 27.274 0.300 1 666 66 66 PRO HA H 4.259 0.030 1 667 66 66 PRO HB2 H 1.856 0.030 2 668 66 66 PRO HB3 H 2.226 0.030 2 669 66 66 PRO HD2 H 3.569 0.030 2 670 66 66 PRO HD3 H 3.779 0.030 2 671 66 66 PRO HG2 H 1.841 0.030 2 672 66 66 PRO HG3 H 2.081 0.030 2 673 66 66 PRO C C 177.863 0.300 1 674 66 66 PRO CA C 63.889 0.300 1 675 66 66 PRO CB C 31.509 0.300 1 676 66 66 PRO CD C 50.166 0.300 1 677 66 66 PRO CG C 27.803 0.300 1 678 67 67 GLY H H 8.606 0.030 1 679 67 67 GLY HA2 H 3.688 0.030 2 680 67 67 GLY HA3 H 4.087 0.030 2 681 67 67 GLY C C 174.029 0.300 1 682 67 67 GLY CA C 45.394 0.300 1 683 67 67 GLY N N 111.508 0.300 1 684 68 68 ALA H H 7.788 0.030 1 685 68 68 ALA HA H 4.338 0.030 1 686 68 68 ALA HB H 1.394 0.030 1 687 68 68 ALA C C 177.472 0.300 1 688 68 68 ALA CA C 52.383 0.300 1 689 68 68 ALA CB C 20.283 0.300 1 690 68 68 ALA N N 123.113 0.300 1 691 69 69 GLN H H 8.654 0.030 1 692 69 69 GLN HA H 4.334 0.030 1 693 69 69 GLN HB2 H 1.816 0.030 2 694 69 69 GLN HB3 H 2.045 0.030 2 695 69 69 GLN HE21 H 6.808 0.030 2 696 69 69 GLN HE22 H 7.476 0.030 2 697 69 69 GLN HG2 H 2.259 0.030 2 698 69 69 GLN HG3 H 2.315 0.030 2 699 69 69 GLN C C 176.086 0.300 1 700 69 69 GLN CA C 55.256 0.300 1 701 69 69 GLN CB C 30.344 0.300 1 702 69 69 GLN CG C 33.716 0.300 1 703 69 69 GLN N N 118.585 0.300 1 704 69 69 GLN NE2 N 112.824 0.300 1 705 70 70 HIS H H 8.249 0.030 1 706 70 70 HIS HA H 4.373 0.030 1 707 70 70 HIS HB2 H 2.865 0.030 2 708 70 70 HIS HB3 H 3.012 0.030 2 709 70 70 HIS HD2 H 6.960 0.030 1 710 70 70 HIS HE1 H 7.759 0.030 1 711 70 70 HIS C C 174.893 0.300 1 712 70 70 HIS CA C 56.901 0.300 1 713 70 70 HIS CB C 30.837 0.300 1 714 70 70 HIS CD2 C 120.182 0.300 1 715 70 70 HIS CE1 C 138.184 0.300 1 716 70 70 HIS N N 118.737 0.300 1 717 71 71 SER H H 7.835 0.030 1 718 71 71 SER HA H 4.131 0.030 1 719 71 71 SER HB2 H 3.540 0.030 2 720 71 71 SER HB3 H 3.813 0.030 2 721 71 71 SER C C 173.932 0.300 1 722 71 71 SER CA C 58.631 0.300 1 723 71 71 SER CB C 63.408 0.300 1 724 71 71 SER N N 113.804 0.300 1 725 72 72 ASP H H 8.164 0.030 1 726 72 72 ASP HA H 4.544 0.030 1 727 72 72 ASP HB2 H 2.718 0.030 1 728 72 72 ASP HB3 H 2.718 0.030 1 729 72 72 ASP C C 176.098 0.300 1 730 72 72 ASP CA C 54.166 0.300 1 731 72 72 ASP CB C 41.077 0.300 1 732 72 72 ASP N N 121.964 0.300 1 733 73 73 GLU H H 8.121 0.030 1 734 73 73 GLU HA H 4.133 0.030 1 735 73 73 GLU HB2 H 1.910 0.030 2 736 73 73 GLU HB3 H 2.016 0.030 2 737 73 73 GLU HG2 H 2.149 0.030 2 738 73 73 GLU HG3 H 2.228 0.030 2 739 73 73 GLU C C 176.912 0.300 1 740 73 73 GLU CA C 57.024 0.300 1 741 73 73 GLU CB C 30.186 0.300 1 742 73 73 GLU CG C 36.513 0.300 1 743 73 73 GLU N N 120.857 0.300 1 744 74 74 ARG H H 8.311 0.030 1 745 74 74 ARG HA H 4.139 0.030 1 746 74 74 ARG HB2 H 1.790 0.030 1 747 74 74 ARG HB3 H 1.790 0.030 1 748 74 74 ARG HD2 H 3.180 0.030 2 749 74 74 ARG HD3 H 3.125 0.030 2 750 74 74 ARG HG2 H 1.588 0.030 2 751 74 74 ARG HG3 H 1.638 0.030 2 752 74 74 ARG C C 177.058 0.300 1 753 74 74 ARG CA C 57.077 0.300 1 754 74 74 ARG CB C 30.262 0.300 1 755 74 74 ARG CD C 43.421 0.300 1 756 74 74 ARG CG C 27.009 0.300 1 757 74 74 ARG N N 121.482 0.300 1 758 75 75 GLY H H 8.516 0.030 1 759 75 75 GLY HA2 H 3.909 0.030 2 760 75 75 GLY HA3 H 3.833 0.030 2 761 75 75 GLY C C 173.863 0.300 1 762 75 75 GLY CA C 45.236 0.300 1 763 75 75 GLY N N 109.926 0.300 1 764 76 76 ALA H H 7.729 0.030 1 765 76 76 ALA HA H 4.407 0.030 1 766 76 76 ALA HB H 1.246 0.030 1 767 76 76 ALA C C 177.205 0.300 1 768 76 76 ALA CA C 52.295 0.300 1 769 76 76 ALA CB C 20.309 0.300 1 770 76 76 ALA N N 122.766 0.300 1 771 77 77 LYS H H 8.242 0.030 1 772 77 77 LYS HA H 4.455 0.030 1 773 77 77 LYS HB2 H 1.743 0.030 2 774 77 77 LYS HB3 H 1.788 0.030 2 775 77 77 LYS HD2 H 1.676 0.030 1 776 77 77 LYS HD3 H 1.676 0.030 1 777 77 77 LYS HE2 H 2.969 0.030 1 778 77 77 LYS HE3 H 2.969 0.030 1 779 77 77 LYS HG2 H 1.427 0.030 2 780 77 77 LYS HG3 H 1.370 0.030 2 781 77 77 LYS C C 174.419 0.300 1 782 77 77 LYS CA C 55.506 0.300 1 783 77 77 LYS CB C 34.210 0.300 1 784 77 77 LYS CD C 28.862 0.300 1 785 77 77 LYS CE C 42.270 0.300 1 786 77 77 LYS CG C 24.892 0.300 1 787 77 77 LYS N N 121.671 0.300 1 788 78 78 GLU H H 8.497 0.030 1 789 78 78 GLU HA H 5.103 0.030 1 790 78 78 GLU HB2 H 1.748 0.030 1 791 78 78 GLU HB3 H 1.748 0.030 1 792 78 78 GLU HG2 H 1.837 0.030 2 793 78 78 GLU HG3 H 1.918 0.030 2 794 78 78 GLU C C 175.575 0.300 1 795 78 78 GLU CA C 54.554 0.300 1 796 78 78 GLU CB C 32.811 0.300 1 797 78 78 GLU CG C 36.513 0.300 1 798 78 78 GLU N N 124.104 0.300 1 799 79 79 ILE H H 8.761 0.030 1 800 79 79 ILE HA H 4.321 0.030 1 801 79 79 ILE HB H 1.549 0.030 1 802 79 79 ILE HD1 H 0.817 0.030 1 803 79 79 ILE HG12 H 1.077 0.030 2 804 79 79 ILE HG13 H 1.354 0.030 2 805 79 79 ILE HG2 H 0.873 0.030 1 806 79 79 ILE C C 174.991 0.300 1 807 79 79 ILE CA C 60.183 0.300 1 808 79 79 ILE CB C 41.694 0.300 1 809 79 79 ILE CD1 C 13.236 0.300 1 810 79 79 ILE CG1 C 27.461 0.300 1 811 79 79 ILE CG2 C 17.513 0.300 1 812 79 79 ILE N N 125.413 0.300 1 813 80 80 ILE H H 8.824 0.030 1 814 80 80 ILE HA H 4.063 0.030 1 815 80 80 ILE HB H 1.736 0.030 1 816 80 80 ILE HD1 H 0.796 0.030 1 817 80 80 ILE HG12 H 1.565 0.030 2 818 80 80 ILE HG13 H 1.133 0.030 2 819 80 80 ILE HG2 H 0.843 0.030 1 820 80 80 ILE C C 177.022 0.300 1 821 80 80 ILE CA C 61.860 0.300 1 822 80 80 ILE CB C 37.747 0.300 1 823 80 80 ILE CD1 C 12.547 0.300 1 824 80 80 ILE CG1 C 28.599 0.300 1 825 80 80 ILE CG2 C 17.760 0.300 1 826 80 80 ILE N N 128.583 0.300 1 827 81 81 LEU H H 9.134 0.030 1 828 81 81 LEU HA H 4.327 0.030 1 829 81 81 LEU HB2 H 1.561 0.030 2 830 81 81 LEU HB3 H 1.819 0.030 2 831 81 81 LEU HD1 H 0.879 0.030 1 832 81 81 LEU HD2 H 0.804 0.030 1 833 81 81 LEU HG H 1.804 0.030 1 834 81 81 LEU C C 178.093 0.300 1 835 81 81 LEU CA C 56.089 0.300 1 836 81 81 LEU CB C 40.625 0.300 1 837 81 81 LEU CD1 C 25.949 0.300 2 838 81 81 LEU CD2 C 25.421 0.300 2 839 81 81 LEU CG C 29.127 0.300 1 840 81 81 LEU N N 130.608 0.300 1 841 82 82 ASP H H 9.814 0.030 1 842 82 82 ASP HA H 4.647 0.030 1 843 82 82 ASP HB2 H 2.753 0.030 2 844 82 82 ASP HB3 H 2.896 0.030 2 845 82 82 ASP C C 177.082 0.300 1 846 82 82 ASP CA C 54.553 0.300 1 847 82 82 ASP CB C 41.568 0.300 1 848 82 82 ASP N N 125.448 0.300 1 849 83 83 ASP H H 8.576 0.030 1 850 83 83 ASP HA H 4.270 0.030 1 851 83 83 ASP HB2 H 2.603 0.030 2 852 83 83 ASP HB3 H 2.781 0.030 2 853 83 83 ASP C C 175.514 0.300 1 854 83 83 ASP CA C 57.836 0.300 1 855 83 83 ASP CB C 41.036 0.300 1 856 83 83 ASP N N 119.231 0.300 1 857 84 84 ASP H H 8.118 0.030 1 858 84 84 ASP HA H 4.681 0.030 1 859 84 84 ASP HB2 H 2.662 0.030 2 860 84 84 ASP HB3 H 2.847 0.030 2 861 84 84 ASP C C 177.010 0.300 1 862 84 84 ASP CA C 53.283 0.300 1 863 84 84 ASP CB C 40.502 0.300 1 864 84 84 ASP N N 110.496 0.300 1 865 85 85 GLU H H 7.707 0.030 1 866 85 85 GLU HA H 4.381 0.030 1 867 85 85 GLU HB2 H 2.056 0.030 2 868 85 85 GLU HB3 H 2.159 0.030 2 869 85 85 GLU HG2 H 2.429 0.030 2 870 85 85 GLU HG3 H 2.244 0.030 2 871 85 85 GLU C C 176.304 0.300 1 872 85 85 GLU CA C 57.607 0.300 1 873 85 85 GLU CB C 31.783 0.300 1 874 85 85 GLU CG C 39.695 0.300 1 875 85 85 GLU N N 120.184 0.300 1 876 86 86 CYS H H 8.904 0.030 1 877 86 86 CYS HA H 5.374 0.030 1 878 86 86 CYS HB2 H 2.845 0.030 2 879 86 86 CYS HB3 H 3.147 0.030 2 880 86 86 CYS C C 175.193 0.300 1 881 86 86 CYS CA C 56.407 0.300 1 882 86 86 CYS CB C 28.946 0.300 1 883 86 86 CYS N N 119.398 0.300 1 884 87 87 PRO HA H 3.870 0.030 1 885 87 87 PRO HB2 H 1.203 0.030 2 886 87 87 PRO HB3 H 1.409 0.030 2 887 87 87 PRO HD2 H 4.045 0.030 2 888 87 87 PRO HD3 H 3.700 0.030 2 889 87 87 PRO HG2 H 1.379 0.030 2 890 87 87 PRO HG3 H 1.491 0.030 2 891 87 87 PRO C C 176.520 0.300 1 892 87 87 PRO CA C 65.513 0.300 1 893 87 87 PRO CB C 32.039 0.300 1 894 87 87 PRO CD C 50.166 0.300 1 895 87 87 PRO CG C 26.745 0.300 1 896 88 88 LEU H H 9.088 0.030 1 897 88 88 LEU HA H 4.144 0.030 1 898 88 88 LEU HB2 H 1.086 0.030 2 899 88 88 LEU HB3 H 1.474 0.030 2 900 88 88 LEU HD1 H 0.858 0.030 1 901 88 88 LEU HD2 H 0.675 0.030 1 902 88 88 LEU HG H 1.542 0.030 1 903 88 88 LEU C C 178.433 0.300 1 904 88 88 LEU CA C 57.395 0.300 1 905 88 88 LEU CB C 42.394 0.300 1 906 88 88 LEU CD1 C 23.040 0.300 2 907 88 88 LEU CD2 C 26.161 0.300 2 908 88 88 LEU CG C 26.396 0.300 1 909 88 88 LEU N N 115.335 0.300 1 910 89 89 GLN H H 6.763 0.030 1 911 89 89 GLN HA H 4.099 0.030 1 912 89 89 GLN HB2 H 2.287 0.030 2 913 89 89 GLN HB3 H 2.337 0.030 2 914 89 89 GLN HE21 H 7.765 0.030 2 915 89 89 GLN HE22 H 6.730 0.030 2 916 89 89 GLN HG2 H 2.393 0.030 2 917 89 89 GLN HG3 H 2.466 0.030 2 918 89 89 GLN C C 177.727 0.300 1 919 89 89 GLN CA C 58.931 0.300 1 920 89 89 GLN CB C 28.123 0.300 1 921 89 89 GLN CG C 32.739 0.300 1 922 89 89 GLN N N 117.985 0.300 1 923 89 89 GLN NE2 N 111.834 0.300 1 924 90 90 ILE H H 7.683 0.030 1 925 90 90 ILE HA H 3.792 0.030 1 926 90 90 ILE HB H 2.033 0.030 1 927 90 90 ILE HD1 H 0.912 0.030 1 928 90 90 ILE HG12 H 1.844 0.030 2 929 90 90 ILE HG13 H 1.166 0.030 2 930 90 90 ILE HG2 H 1.014 0.030 1 931 90 90 ILE C C 178.786 0.300 1 932 90 90 ILE CA C 64.860 0.300 1 933 90 90 ILE CB C 38.692 0.300 1 934 90 90 ILE CD1 C 15.098 0.300 1 935 90 90 ILE CG1 C 28.862 0.300 1 936 90 90 ILE CG2 C 16.937 0.300 1 937 90 90 ILE N N 118.072 0.300 1 938 91 91 PHE H H 8.322 0.030 1 939 91 91 PHE HA H 4.245 0.030 1 940 91 91 PHE HB2 H 3.332 0.030 2 941 91 91 PHE HB3 H 3.380 0.030 2 942 91 91 PHE HD1 H 7.204 0.030 1 943 91 91 PHE HD2 H 7.204 0.030 1 944 91 91 PHE HE1 H 7.537 0.030 1 945 91 91 PHE HE2 H 7.537 0.030 1 946 91 91 PHE HZ H 7.450 0.030 1 947 91 91 PHE C C 177.777 0.300 1 948 91 91 PHE CA C 61.789 0.300 1 949 91 91 PHE CB C 40.245 0.300 1 950 91 91 PHE CD1 C 131.704 0.300 1 951 91 91 PHE CD2 C 131.704 0.300 1 952 91 91 PHE CE1 C 131.867 0.300 1 953 91 91 PHE CE2 C 131.867 0.300 1 954 91 91 PHE CZ C 130.483 0.300 1 955 91 91 PHE N N 118.278 0.300 1 956 92 92 ARG H H 8.497 0.030 1 957 92 92 ARG HA H 3.962 0.030 1 958 92 92 ARG HB2 H 1.911 0.030 2 959 92 92 ARG HB3 H 2.032 0.030 2 960 92 92 ARG HD2 H 3.049 0.030 2 961 92 92 ARG HD3 H 3.219 0.030 2 962 92 92 ARG HG2 H 1.821 0.030 2 963 92 92 ARG HG3 H 2.093 0.030 2 964 92 92 ARG C C 178.457 0.300 1 965 92 92 ARG CA C 59.195 0.300 1 966 92 92 ARG CB C 30.186 0.300 1 967 92 92 ARG CD C 43.997 0.300 1 968 92 92 ARG CG C 28.862 0.300 1 969 92 92 ARG N N 117.787 0.300 1 970 93 93 GLU H H 7.837 0.030 1 971 93 93 GLU HA H 4.224 0.030 1 972 93 93 GLU HB2 H 2.010 0.030 2 973 93 93 GLU HB3 H 2.192 0.030 2 974 93 93 GLU HG2 H 2.282 0.030 2 975 93 93 GLU HG3 H 2.540 0.030 2 976 93 93 GLU C C 176.074 0.300 1 977 93 93 GLU CA C 56.195 0.300 1 978 93 93 GLU CB C 30.221 0.300 1 979 93 93 GLU CG C 36.924 0.300 1 980 93 93 GLU N N 116.554 0.300 1 981 94 94 TRP H H 7.395 0.030 1 982 94 94 TRP HA H 4.821 0.030 1 983 94 94 TRP HB2 H 3.137 0.030 2 984 94 94 TRP HB3 H 3.330 0.030 2 985 94 94 TRP HD1 H 6.901 0.030 1 986 94 94 TRP HE1 H 9.459 0.030 1 987 94 94 TRP HE3 H 6.980 0.030 1 988 94 94 TRP HH2 H 7.004 0.030 1 989 94 94 TRP HZ2 H 6.999 0.030 1 990 94 94 TRP HZ3 H 7.633 0.030 1 991 94 94 TRP C C 174.394 0.300 1 992 94 94 TRP CA C 55.065 0.300 1 993 94 94 TRP CB C 29.686 0.300 1 994 94 94 TRP CD1 C 127.731 0.300 1 995 94 94 TRP CE3 C 120.932 0.300 1 996 94 94 TRP CH2 C 123.694 0.300 1 997 94 94 TRP CZ2 C 114.302 0.300 1 998 94 94 TRP CZ3 C 120.932 0.300 1 999 94 94 TRP N N 125.126 0.300 1 1000 94 94 TRP NE1 N 128.745 0.300 1 1001 95 95 PRO HA H 4.418 0.030 1 1002 95 95 PRO HB2 H 2.022 0.030 2 1003 95 95 PRO HB3 H 1.771 0.030 2 1004 95 95 PRO HD2 H 2.251 0.030 2 1005 95 95 PRO HD3 H 3.726 0.030 2 1006 95 95 PRO HG2 H 1.480 0.030 2 1007 95 95 PRO HG3 H 1.643 0.030 2 1008 95 95 PRO C C 177.204 0.300 1 1009 95 95 PRO CA C 61.913 0.300 1 1010 95 95 PRO CB C 31.578 0.300 1 1011 95 95 PRO CD C 50.742 0.300 1 1012 95 95 PRO CG C 27.136 0.300 1 1013 96 96 SER H H 8.458 0.030 1 1014 96 96 SER HA H 4.257 0.030 1 1015 96 96 SER HB2 H 3.950 0.030 1 1016 96 96 SER HB3 H 3.950 0.030 1 1017 96 96 SER C C 175.671 0.300 1 1018 96 96 SER CA C 60.836 0.300 1 1019 96 96 SER CB C 63.285 0.300 1 1020 96 96 SER N N 118.838 0.300 1 1021 97 97 ASP H H 8.430 0.030 1 1022 97 97 ASP HA H 4.430 0.030 1 1023 97 97 ASP HB2 H 2.541 0.030 2 1024 97 97 ASP HB3 H 2.646 0.030 2 1025 97 97 ASP C C 176.949 0.300 1 1026 97 97 ASP CA C 54.642 0.300 1 1027 97 97 ASP CB C 39.926 0.300 1 1028 97 97 ASP N N 118.110 0.300 1 1029 98 98 LYS H H 7.641 0.030 1 1030 98 98 LYS HA H 4.223 0.030 1 1031 98 98 LYS HB2 H 1.161 0.030 2 1032 98 98 LYS HB3 H 1.645 0.030 2 1033 98 98 LYS HD2 H 1.134 0.030 1 1034 98 98 LYS HD3 H 1.134 0.030 1 1035 98 98 LYS HE2 H 2.729 0.030 1 1036 98 98 LYS HE3 H 2.729 0.030 1 1037 98 98 LYS HG2 H 1.108 0.030 1 1038 98 98 LYS HG3 H 1.108 0.030 1 1039 98 98 LYS C C 176.353 0.300 1 1040 98 98 LYS CA C 56.195 0.300 1 1041 98 98 LYS CB C 32.812 0.300 1 1042 98 98 LYS CD C 28.598 0.300 1 1043 98 98 LYS CE C 41.941 0.300 1 1044 98 98 LYS CG C 25.421 0.300 1 1045 98 98 LYS N N 118.530 0.300 1 1046 99 99 GLY H H 7.647 0.030 1 1047 99 99 GLY HA2 H 4.783 0.030 2 1048 99 99 GLY HA3 H 3.654 0.030 2 1049 99 99 GLY C C 172.813 0.300 1 1050 99 99 GLY CA C 44.230 0.300 1 1051 99 99 GLY N N 106.638 0.300 1 1052 100 100 ILE H H 8.469 0.030 1 1053 100 100 ILE HA H 4.265 0.030 1 1054 100 100 ILE HB H 1.702 0.030 1 1055 100 100 ILE HD1 H 0.835 0.030 1 1056 100 100 ILE HG12 H 1.168 0.030 2 1057 100 100 ILE HG13 H 1.489 0.030 2 1058 100 100 ILE HG2 H 0.805 0.030 1 1059 100 100 ILE C C 173.798 0.300 1 1060 100 100 ILE CA C 60.765 0.300 1 1061 100 100 ILE CB C 40.049 0.300 1 1062 100 100 ILE CD1 C 13.154 0.300 1 1063 100 100 ILE CG1 C 27.712 0.300 1 1064 100 100 ILE CG2 C 17.513 0.300 1 1065 100 100 ILE N N 122.111 0.300 1 1066 101 101 LEU H H 7.915 0.030 1 1067 101 101 LEU HA H 4.556 0.030 1 1068 101 101 LEU HB2 H -0.044 0.030 2 1069 101 101 LEU HB3 H 0.869 0.030 2 1070 101 101 LEU HD1 H -0.124 0.030 1 1071 101 101 LEU HD2 H 0.059 0.030 1 1072 101 101 LEU HG H 0.492 0.030 1 1073 101 101 LEU C C 175.708 0.300 1 1074 101 101 LEU CA C 53.424 0.300 1 1075 101 101 LEU CB C 43.144 0.300 1 1076 101 101 LEU CD1 C 24.542 0.300 2 1077 101 101 LEU CD2 C 25.369 0.300 2 1078 101 101 LEU CG C 26.215 0.300 1 1079 101 101 LEU N N 127.321 0.300 1 1080 102 102 VAL H H 8.626 0.030 1 1081 102 102 VAL HA H 4.316 0.030 1 1082 102 102 VAL HB H 1.839 0.030 1 1083 102 102 VAL HG1 H 0.646 0.030 1 1084 102 102 VAL HG2 H 0.589 0.030 1 1085 102 102 VAL C C 173.834 0.300 1 1086 102 102 VAL CA C 60.077 0.300 1 1087 102 102 VAL CB C 35.361 0.300 1 1088 102 102 VAL CG1 C 21.708 0.300 2 1089 102 102 VAL CG2 C 20.430 0.300 2 1090 102 102 VAL N N 123.708 0.300 1 1091 103 103 PHE H H 9.298 0.030 1 1092 103 103 PHE HA H 5.457 0.030 1 1093 103 103 PHE HB2 H 3.179 0.030 2 1094 103 103 PHE HB3 H 2.696 0.030 2 1095 103 103 PHE HD1 H 7.167 0.030 1 1096 103 103 PHE HD2 H 7.167 0.030 1 1097 103 103 PHE HE1 H 7.071 0.030 1 1098 103 103 PHE HE2 H 7.071 0.030 1 1099 103 103 PHE HZ H 7.191 0.030 1 1100 103 103 PHE C C 175.344 0.300 1 1101 103 103 PHE CA C 56.901 0.300 1 1102 103 103 PHE CB C 41.242 0.300 1 1103 103 103 PHE CD1 C 131.832 0.300 1 1104 103 103 PHE CD2 C 131.832 0.300 1 1105 103 103 PHE CE1 C 130.227 0.300 1 1106 103 103 PHE CE2 C 130.227 0.300 1 1107 103 103 PHE CZ C 128.703 0.300 1 1108 103 103 PHE N N 122.425 0.300 1 1109 104 104 GLN H H 9.141 0.030 1 1110 104 104 GLN HA H 5.035 0.030 1 1111 104 104 GLN HB2 H 1.497 0.030 2 1112 104 104 GLN HB3 H 1.942 0.030 2 1113 104 104 GLN HE21 H 6.674 0.030 2 1114 104 104 GLN HE22 H 7.498 0.030 2 1115 104 104 GLN HG2 H 2.011 0.030 2 1116 104 104 GLN HG3 H 2.403 0.030 2 1117 104 104 GLN C C 174.723 0.300 1 1118 104 104 GLN CA C 53.424 0.300 1 1119 104 104 GLN CB C 31.125 0.300 1 1120 104 104 GLN CG C 31.509 0.300 1 1121 104 104 GLN N N 120.639 0.300 1 1122 104 104 GLN NE2 N 110.331 0.300 1 1123 105 105 LEU H H 9.234 0.030 1 1124 105 105 LEU HA H 4.966 0.030 1 1125 105 105 LEU HB2 H 1.721 0.030 2 1126 105 105 LEU HB3 H 1.135 0.030 2 1127 105 105 LEU HD1 H 0.915 0.030 1 1128 105 105 LEU HD2 H 0.401 0.030 1 1129 105 105 LEU HG H 1.298 0.030 1 1130 105 105 LEU C C 175.501 0.300 1 1131 105 105 LEU CA C 54.342 0.300 1 1132 105 105 LEU CB C 43.463 0.300 1 1133 105 105 LEU CD1 C 23.764 0.300 2 1134 105 105 LEU CD2 C 25.573 0.300 2 1135 105 105 LEU CG C 27.301 0.300 1 1136 105 105 LEU N N 125.663 0.300 1 1137 106 106 LYS H H 9.070 0.030 1 1138 106 106 LYS HA H 4.692 0.030 1 1139 106 106 LYS HB2 H 1.497 0.030 2 1140 106 106 LYS HB3 H 1.736 0.030 2 1141 106 106 LYS HD2 H 1.333 0.030 2 1142 106 106 LYS HD3 H 1.395 0.030 2 1143 106 106 LYS HE2 H 2.695 0.030 1 1144 106 106 LYS HE3 H 2.695 0.030 1 1145 106 106 LYS HG2 H 1.166 0.030 1 1146 106 106 LYS HG3 H 1.166 0.030 1 1147 106 106 LYS C C 175.494 0.300 1 1148 106 106 LYS CA C 54.571 0.300 1 1149 106 106 LYS CB C 36.225 0.300 1 1150 106 106 LYS CD C 29.357 0.300 1 1151 106 106 LYS CE C 41.201 0.300 1 1152 106 106 LYS CG C 23.833 0.300 1 1153 106 106 LYS N N 124.328 0.300 1 1154 107 107 ARG H H 8.692 0.030 1 1155 107 107 ARG HA H 3.855 0.030 1 1156 107 107 ARG HB2 H 1.383 0.030 2 1157 107 107 ARG HB3 H 1.554 0.030 2 1158 107 107 ARG HD2 H 2.770 0.030 2 1159 107 107 ARG HD3 H 2.870 0.030 2 1160 107 107 ARG HG2 H 1.369 0.030 2 1161 107 107 ARG HG3 H 1.263 0.030 2 1162 107 107 ARG C C 176.535 0.300 1 1163 107 107 ARG CA C 56.195 0.300 1 1164 107 107 ARG CB C 30.138 0.300 1 1165 107 107 ARG CD C 42.435 0.300 1 1166 107 107 ARG CG C 27.803 0.300 1 1167 107 107 ARG N N 121.396 0.300 1 1168 108 108 ARG H H 8.344 0.030 1 1169 108 108 ARG HA H 4.317 0.030 1 1170 108 108 ARG HB2 H 1.279 0.030 2 1171 108 108 ARG HB3 H 1.579 0.030 2 1172 108 108 ARG HD2 H 3.126 0.030 2 1173 108 108 ARG HD3 H 3.314 0.030 2 1174 108 108 ARG HE H 6.508 0.030 1 1175 108 108 ARG HG2 H 1.199 0.030 2 1176 108 108 ARG HG3 H 1.533 0.030 2 1177 108 108 ARG C C 174.200 0.300 1 1178 108 108 ARG CA C 55.171 0.300 1 1179 108 108 ARG CB C 30.042 0.300 1 1180 108 108 ARG CD C 43.157 0.300 1 1181 108 108 ARG CG C 28.598 0.300 1 1182 108 108 ARG N N 126.195 0.300 1 1183 108 108 ARG NE N 84.699 0.300 1 1184 109 109 PRO HA H 4.447 0.030 1 1185 109 109 PRO HB2 H 1.954 0.030 2 1186 109 109 PRO HB3 H 2.277 0.030 2 1187 109 109 PRO HD2 H 3.771 0.030 2 1188 109 109 PRO HD3 H 3.541 0.030 2 1189 109 109 PRO CA C 63.275 0.300 1 1190 109 109 PRO CD C 50.534 0.300 1 1191 110 110 PRO HA H 4.393 0.030 1 1192 110 110 PRO HB2 H 1.888 0.030 2 1193 110 110 PRO HB3 H 2.254 0.030 2 1194 110 110 PRO HD2 H 3.742 0.030 2 1195 110 110 PRO HD3 H 3.564 0.030 2 1196 110 110 PRO CA C 62.722 0.300 1 1197 110 110 PRO CB C 32.039 0.300 1 1198 110 110 PRO CD C 50.040 0.300 1 stop_ save_