data_18096 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; NMR structures of the transmembrane domains of the AChR b2 subunit ; _BMRB_accession_number 18096 _BMRB_flat_file_name bmr18096.str _Entry_type original _Submission_date 2011-11-18 _Accession_date 2011-11-18 _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 Bondarenko Vasyl . . 2 Mowrey David . . 3 Tillman Tommy . . 4 Cui Tanxing . . 5 Liu Lu T. . 6 Xu Yan . . 7 Tang Pei . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 630 "13C chemical shifts" 552 "15N chemical shifts" 127 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2013-02-15 update BMRB 'update entry citation' 2013-03-02 original author 'original release' stop_ save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title 'NMR structures of the transmembrane domains of the 42 nAChR.' _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 22361591 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Bondarenko Vasyl . . 2 Mowrey David . . 3 Tillman Tommy . . 4 Cui Tanxing . . 5 Liu 'Lu Tian' . . 6 Xu Yan . . 7 Tang Pei . . stop_ _Journal_abbreviation 'Biochim. Biophys. Acta' _Journal_name_full 'Biochimica et biophysica acta' _Journal_volume 1818 _Journal_issue 5 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 1261 _Page_last 1268 _Year 2012 _Details . save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name nAChR _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label nAChR $nAChR 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_nAChR _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common entity _Molecular_mass 14998.831 _Mol_thiol_state 'all free' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 137 _Mol_residue_sequence ; SNAEEEPLFYTINLIIPCVL ITSLAILVFYLPSDCGEKMT LCISVLLALTVFLLLISKIV PPTSSDSPSVGEYLMFTMVL VTFSIVTSVCVLNVHHRSPE THTGGGGGIDRLFLWIFVFV CVFGTIGMFLQPLFQEE ; loop_ _Residue_seq_code _Residue_label 1 SER 2 ASN 3 ALA 4 GLU 5 GLU 6 GLU 7 PRO 8 LEU 9 PHE 10 TYR 11 THR 12 ILE 13 ASN 14 LEU 15 ILE 16 ILE 17 PRO 18 CYS 19 VAL 20 LEU 21 ILE 22 THR 23 SER 24 LEU 25 ALA 26 ILE 27 LEU 28 VAL 29 PHE 30 TYR 31 LEU 32 PRO 33 SER 34 ASP 35 CYS 36 GLY 37 GLU 38 LYS 39 MET 40 THR 41 LEU 42 CYS 43 ILE 44 SER 45 VAL 46 LEU 47 LEU 48 ALA 49 LEU 50 THR 51 VAL 52 PHE 53 LEU 54 LEU 55 LEU 56 ILE 57 SER 58 LYS 59 ILE 60 VAL 61 PRO 62 PRO 63 THR 64 SER 65 SER 66 ASP 67 SER 68 PRO 69 SER 70 VAL 71 GLY 72 GLU 73 TYR 74 LEU 75 MET 76 PHE 77 THR 78 MET 79 VAL 80 LEU 81 VAL 82 THR 83 PHE 84 SER 85 ILE 86 VAL 87 THR 88 SER 89 VAL 90 CYS 91 VAL 92 LEU 93 ASN 94 VAL 95 HIS 96 HIS 97 ARG 98 SER 99 PRO 100 GLU 101 THR 102 HIS 103 THR 104 GLY 105 GLY 106 GLY 107 GLY 108 GLY 109 ILE 110 ASP 111 ARG 112 LEU 113 PHE 114 LEU 115 TRP 116 ILE 117 PHE 118 VAL 119 PHE 120 VAL 121 CYS 122 VAL 123 PHE 124 GLY 125 THR 126 ILE 127 GLY 128 MET 129 PHE 130 LEU 131 GLN 132 PRO 133 LEU 134 PHE 135 GLN 136 GLU 137 GLU stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2014-05-12 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 2LM2 "Nmr Structures Of The Transmembrane Domains Of The Achr B2 Subunit" 100.00 137 100.00 100.00 6.11e-91 stop_ save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species $nAChR 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_name $nAChR 'recombinant technology' . Escherichia coli . pTBSG1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $nAChR 0.25 mM '[U-100% 13C; U-100% 15N]' 'sodium acetate' 5 mM 'natural abundance' LDAO 1.5 % 'natural abundance' DSS 0.1 mM 'natural abundance' D2O 5 % '[U-100% 2H]' 'sodium chloride' 10 mM 'natural abundance' beta-mercaptoethanol 20 mM 'natural abundance' H2O 95 % 'natural abundance' stop_ save_ ############################ # Computer software used # ############################ save_CYANA _Saveframe_category software _Name CYANA _Version 3.0 loop_ _Vendor _Address _Electronic_address 'Guntert, Mumenthaler and Wuthrich' . . 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 600 _Details . save_ save_spectrometer_2 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _Field_strength 700 _Details . save_ save_spectrometer_3 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _Field_strength 800 _Details . save_ save_spectrometer_4 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _Field_strength 900 _Details . save_ ############################# # NMR applied experiments # ############################# save_3D_1H-15N_NOESY_1 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-15N NOESY' _Sample_label $sample_1 save_ save_3D_1H-15N_NOESY_2 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-15N NOESY' _Sample_label $sample_1 save_ save_3D_1H-13C_NOESY_3 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-13C NOESY' _Sample_label $sample_1 save_ save_3D_HNCA_4 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCA' _Sample_label $sample_1 save_ save_3D_HN(CO)CA_5 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HN(CO)CA' _Sample_label $sample_1 save_ save_3D_HNCO_6 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCO' _Sample_label $sample_1 save_ save_2D_1H-15N_HSQC_7 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N HSQC' _Sample_label $sample_1 save_ save_2D_1H-13C_HSQC_8 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-13C HSQC' _Sample_label $sample_1 save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units pH 4.65 . pH pressure 1 . atm temperature 318 . K stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference_1 _Saveframe_category chemical_shift_reference _Details . 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 0.00 na indirect . . . 0.251449530 DSS H 1 'methyl protons' ppm 0.00 internal direct . . . 1.000000000 DSS N 15 'methyl protons' ppm 0.00 na 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_assigned_chem_shift_list_1 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Experiment_label '3D 1H-15N NOESY' '3D 1H-13C NOESY' '3D HNCA' '3D HN(CO)CA' '3D HNCO' '2D 1H-15N HSQC' '2D 1H-13C HSQC' stop_ loop_ _Sample_label $sample_1 stop_ _Sample_conditions_label $sample_conditions_1 _Chem_shift_reference_set_label $chemical_shift_reference_1 _Mol_system_component_name nAChR _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 1 1 SER HA H 4.386 0.015 1 2 1 1 SER CA C 59.045 0.200 1 3 2 2 ASN HA H 4.733 0.004 1 4 2 2 ASN HB2 H 2.808 0.035 2 5 2 2 ASN HB3 H 2.779 0.200 2 6 2 2 ASN C C 175.295 0.200 1 7 2 2 ASN CA C 53.666 0.200 1 8 2 2 ASN CB C 39.044 0.012 1 9 3 3 ALA H H 8.402 0.003 1 10 3 3 ALA HA H 4.206 0.005 1 11 3 3 ALA HB H 1.341 0.015 1 12 3 3 ALA C C 178.133 0.200 1 13 3 3 ALA CA C 53.685 0.200 1 14 3 3 ALA CB C 19.083 0.200 1 15 3 3 ALA N N 124.656 0.080 1 16 4 4 GLU H H 8.219 0.004 1 17 4 4 GLU HA H 4.129 0.026 1 18 4 4 GLU HB2 H 2.000 0.013 2 19 4 4 GLU HB3 H 1.941 0.015 2 20 4 4 GLU HG2 H 2.221 0.007 2 21 4 4 GLU C C 176.534 0.200 1 22 4 4 GLU CA C 57.424 0.004 1 23 4 4 GLU CB C 29.884 0.088 1 24 4 4 GLU CG C 35.992 0.030 1 25 4 4 GLU N N 117.439 0.023 1 26 5 5 GLU H H 7.992 0.009 1 27 5 5 GLU HA H 4.211 0.004 1 28 5 5 GLU HB2 H 2.028 0.008 2 29 5 5 GLU HB3 H 1.959 0.019 2 30 5 5 GLU HG2 H 2.214 0.011 2 31 5 5 GLU C C 176.604 0.200 1 32 5 5 GLU CA C 56.951 0.102 1 33 5 5 GLU CB C 29.962 0.094 1 34 5 5 GLU CG C 36.011 0.049 1 35 5 5 GLU N N 118.815 0.028 1 36 6 6 GLU H H 8.148 0.004 1 37 6 6 GLU HA H 4.184 0.019 1 38 6 6 GLU HB2 H 2.105 0.002 2 39 6 6 GLU HG2 H 2.338 0.015 2 40 6 6 GLU HG3 H 2.282 0.003 2 41 6 6 GLU CA C 57.421 0.200 1 42 6 6 GLU CB C 28.983 0.027 1 43 6 6 GLU CG C 36.263 0.010 1 44 6 6 GLU N N 121.446 0.048 1 45 7 7 PRO HA H 4.263 0.003 1 46 7 7 PRO HB2 H 2.223 0.010 2 47 7 7 PRO HB3 H 1.796 0.007 2 48 7 7 PRO HG2 H 2.102 0.015 2 49 7 7 PRO HG3 H 1.991 0.013 2 50 7 7 PRO HD2 H 3.790 0.006 2 51 7 7 PRO HD3 H 3.738 0.015 2 52 7 7 PRO C C 178.717 0.200 1 53 7 7 PRO CA C 65.529 0.100 1 54 7 7 PRO CB C 31.323 0.233 1 55 7 7 PRO CG C 28.197 0.017 1 56 7 7 PRO CD C 50.602 0.200 1 57 8 8 LEU H H 8.222 0.026 1 58 8 8 LEU HA H 3.952 0.017 1 59 8 8 LEU HB2 H 1.705 0.015 2 60 8 8 LEU HB3 H 1.637 0.012 2 61 8 8 LEU HG H 1.595 0.005 1 62 8 8 LEU HD1 H 0.871 0.013 1 63 8 8 LEU HD2 H 0.825 0.015 1 64 8 8 LEU C C 177.905 0.200 1 65 8 8 LEU CA C 57.931 0.200 1 66 8 8 LEU CB C 41.773 0.029 1 67 8 8 LEU CG C 27.392 0.107 1 68 8 8 LEU CD1 C 24.848 0.200 2 69 8 8 LEU CD2 C 25.286 0.200 2 70 8 8 LEU N N 119.642 0.041 1 71 9 9 PHE H H 8.071 0.005 1 72 9 9 PHE HA H 4.172 0.005 1 73 9 9 PHE HB2 H 3.137 0.004 2 74 9 9 PHE HD1 H 6.987 0.006 3 75 9 9 PHE C C 177.620 0.200 1 76 9 9 PHE CA C 61.072 0.200 1 77 9 9 PHE CB C 38.838 0.200 1 78 9 9 PHE CD1 C 130.800 0.200 3 79 9 9 PHE N N 118.625 0.027 1 80 10 10 TYR H H 8.204 0.018 1 81 10 10 TYR HA H 4.190 0.023 1 82 10 10 TYR HB2 H 3.105 0.013 2 83 10 10 TYR HD1 H 7.094 0.011 3 84 10 10 TYR HE1 H 6.776 0.004 3 85 10 10 TYR C C 177.743 0.200 1 86 10 10 TYR CA C 61.209 0.200 1 87 10 10 TYR CB C 38.715 0.200 1 88 10 10 TYR CD1 C 132.522 0.288 3 89 10 10 TYR CE1 C 118.127 0.163 3 90 10 10 TYR N N 117.829 0.080 1 91 11 11 THR H H 7.934 0.005 1 92 11 11 THR HA H 3.875 0.012 1 93 11 11 THR HB H 4.285 0.009 1 94 11 11 THR HG2 H 1.168 0.008 1 95 11 11 THR C C 175.937 0.200 1 96 11 11 THR CA C 67.187 0.053 1 97 11 11 THR CB C 68.579 0.011 1 98 11 11 THR CG2 C 21.902 0.200 1 99 11 11 THR N N 115.545 0.090 1 100 12 12 ILE H H 8.172 0.012 1 101 12 12 ILE HA H 3.682 0.015 1 102 12 12 ILE HB H 1.840 0.014 1 103 12 12 ILE HG12 H 1.604 0.015 2 104 12 12 ILE HG13 H 1.169 0.014 2 105 12 12 ILE HG2 H 0.852 0.015 1 106 12 12 ILE HD1 H 0.776 0.001 1 107 12 12 ILE C C 175.863 0.200 1 108 12 12 ILE CA C 64.821 0.200 1 109 12 12 ILE CB C 37.956 0.006 1 110 12 12 ILE CG1 C 28.708 0.156 1 111 12 12 ILE CG2 C 17.730 0.015 1 112 12 12 ILE CD1 C 13.351 0.003 1 113 12 12 ILE N N 120.096 0.126 1 114 13 13 ASN H H 7.731 0.012 1 115 13 13 ASN HA H 4.393 0.018 1 116 13 13 ASN HB3 H 2.448 0.015 2 117 13 13 ASN C C 174.880 0.200 1 118 13 13 ASN CA C 55.257 0.200 1 119 13 13 ASN CB C 39.546 0.200 1 120 13 13 ASN N N 114.444 0.178 1 121 14 14 LEU H H 7.381 0.008 1 122 14 14 LEU HA H 4.346 0.026 1 123 14 14 LEU HB2 H 1.732 0.011 2 124 14 14 LEU HG H 1.731 0.015 1 125 14 14 LEU HD1 H 0.832 0.007 1 126 14 14 LEU C C 177.427 0.200 1 127 14 14 LEU CA C 56.370 0.200 1 128 14 14 LEU CB C 41.766 0.200 1 129 14 14 LEU CG C 27.022 0.200 1 130 14 14 LEU CD1 C 24.752 0.200 2 131 14 14 LEU N N 115.306 0.089 1 132 15 15 ILE H H 8.135 0.011 1 133 15 15 ILE HA H 3.598 0.018 1 134 15 15 ILE HB H 1.796 0.003 1 135 15 15 ILE HG13 H 1.256 0.003 2 136 15 15 ILE HG2 H 0.845 0.015 1 137 15 15 ILE HD1 H 0.822 0.005 1 138 15 15 ILE CA C 65.452 0.200 1 139 15 15 ILE CB C 37.681 0.200 1 140 15 15 ILE CG1 C 28.534 0.200 1 141 15 15 ILE CG2 C 17.660 0.200 1 142 15 15 ILE CD1 C 13.112 0.126 1 143 15 15 ILE N N 117.935 0.003 1 144 17 17 PRO HA H 4.046 0.004 1 145 17 17 PRO HB3 H 1.735 0.008 2 146 17 17 PRO HG2 H 2.278 0.006 2 147 17 17 PRO HG3 H 1.784 0.005 2 148 17 17 PRO HD2 H 3.530 0.013 2 149 17 17 PRO HD3 H 3.489 0.011 2 150 17 17 PRO C C 177.518 0.200 1 151 17 17 PRO CA C 66.645 0.200 1 152 17 17 PRO CB C 30.966 0.200 1 153 17 17 PRO CG C 28.326 0.203 1 154 17 17 PRO CD C 50.304 0.035 1 155 18 18 CYS H H 7.338 0.009 1 156 18 18 CYS HA H 3.951 0.006 1 157 18 18 CYS HB2 H 3.097 0.003 2 158 18 18 CYS HB3 H 2.624 0.200 2 159 18 18 CYS C C 177.617 0.200 1 160 18 18 CYS CA C 64.488 0.200 1 161 18 18 CYS CB C 26.768 0.008 1 162 18 18 CYS N N 113.411 0.061 1 163 19 19 VAL H H 8.587 0.011 1 164 19 19 VAL HA H 3.521 0.015 1 165 19 19 VAL HB H 2.176 0.015 1 166 19 19 VAL HG1 H 1.102 0.017 1 167 19 19 VAL HG2 H 0.957 0.015 1 168 19 19 VAL C C 178.069 0.200 1 169 19 19 VAL CA C 67.065 0.200 1 170 19 19 VAL CB C 31.752 0.200 1 171 19 19 VAL CG1 C 22.998 0.200 2 172 19 19 VAL CG2 C 21.388 0.200 2 173 19 19 VAL N N 121.720 0.131 1 174 20 20 LEU H H 8.344 0.008 1 175 20 20 LEU HA H 4.021 0.014 1 176 20 20 LEU HB2 H 1.840 0.005 2 177 20 20 LEU HB3 H 1.690 0.015 2 178 20 20 LEU HD1 H 0.886 0.015 1 179 20 20 LEU HD2 H 0.784 0.015 1 180 20 20 LEU C C 177.989 0.200 1 181 20 20 LEU CA C 58.649 0.200 1 182 20 20 LEU CB C 41.934 0.029 1 183 20 20 LEU CD1 C 25.091 0.200 2 184 20 20 LEU CD2 C 24.813 0.200 2 185 20 20 LEU N N 121.731 0.046 1 186 21 21 ILE H H 8.371 0.007 1 187 21 21 ILE HA H 3.669 0.008 1 188 21 21 ILE HB H 1.807 0.020 1 189 21 21 ILE HG13 H 1.204 0.016 2 190 21 21 ILE HG2 H 0.849 0.003 1 191 21 21 ILE HD1 H 0.789 0.015 1 192 21 21 ILE C C 176.947 0.200 1 193 21 21 ILE CA C 65.356 0.200 1 194 21 21 ILE CB C 37.918 0.200 1 195 21 21 ILE CG1 C 28.372 0.200 1 196 21 21 ILE CG2 C 17.721 0.200 1 197 21 21 ILE CD1 C 12.556 0.200 1 198 21 21 ILE N N 117.403 0.018 1 199 22 22 THR H H 7.829 0.009 1 200 22 22 THR HA H 3.681 0.027 1 201 22 22 THR HB H 4.238 0.015 1 202 22 22 THR HG2 H 1.100 0.025 1 203 22 22 THR C C 176.073 0.200 1 204 22 22 THR CA C 68.152 0.200 1 205 22 22 THR CB C 68.428 0.200 1 206 22 22 THR CG2 C 21.668 0.200 1 207 22 22 THR N N 115.544 0.063 1 208 23 23 SER H H 8.069 0.009 1 209 23 23 SER HA H 4.023 0.200 1 210 23 23 SER HB2 H 3.720 0.013 2 211 23 23 SER C C 175.279 0.200 1 212 23 23 SER CA C 63.884 0.200 1 213 23 23 SER CB C 62.971 0.200 1 214 23 23 SER N N 116.192 0.300 1 215 24 24 LEU H H 7.858 0.009 1 216 24 24 LEU HA H 3.981 0.001 1 217 24 24 LEU HB2 H 1.780 0.007 2 218 24 24 LEU HB3 H 1.562 0.003 2 219 24 24 LEU HG H 1.738 0.015 1 220 24 24 LEU HD1 H 0.811 0.002 1 221 24 24 LEU C C 177.542 0.200 1 222 24 24 LEU CA C 58.036 0.200 1 223 24 24 LEU CB C 41.941 0.035 1 224 24 24 LEU CG C 27.074 0.200 1 225 24 24 LEU CD1 C 25.181 0.200 2 226 24 24 LEU N N 120.855 0.072 1 227 25 25 ALA H H 8.141 0.009 1 228 25 25 ALA HA H 3.940 0.011 1 229 25 25 ALA HB H 1.507 0.005 1 230 25 25 ALA C C 177.915 0.200 1 231 25 25 ALA CA C 55.612 0.084 1 232 25 25 ALA CB C 18.251 0.123 1 233 25 25 ALA N N 119.507 0.037 1 234 26 26 ILE H H 8.012 0.012 1 235 26 26 ILE HA H 3.798 0.020 1 236 26 26 ILE HB H 2.016 0.007 1 237 26 26 ILE HG12 H 1.803 0.015 2 238 26 26 ILE HG13 H 1.261 0.008 2 239 26 26 ILE HG2 H 0.970 0.008 1 240 26 26 ILE HD1 H 0.780 0.008 1 241 26 26 ILE C C 177.729 0.200 1 242 26 26 ILE CA C 65.340 0.200 1 243 26 26 ILE CB C 37.830 0.200 1 244 26 26 ILE CG1 C 28.498 0.030 1 245 26 26 ILE CG2 C 18.263 0.181 1 246 26 26 ILE CD1 C 13.347 0.200 1 247 26 26 ILE N N 115.689 0.003 1 248 27 27 LEU H H 8.045 0.009 1 249 27 27 LEU HA H 4.006 0.009 1 250 27 27 LEU HB2 H 1.750 0.019 2 251 27 27 LEU HG H 1.726 0.015 1 252 27 27 LEU HD1 H 0.821 0.015 1 253 27 27 LEU C C 178.364 0.200 1 254 27 27 LEU CA C 58.737 0.200 1 255 27 27 LEU CB C 41.837 0.200 1 256 27 27 LEU CG C 27.022 0.200 1 257 27 27 LEU CD1 C 25.146 0.200 2 258 27 27 LEU N N 118.567 0.156 1 259 28 28 VAL H H 8.008 0.020 1 260 28 28 VAL HA H 3.575 0.014 1 261 28 28 VAL HB H 1.991 0.013 1 262 28 28 VAL HG1 H 0.896 0.015 1 263 28 28 VAL HG2 H 0.574 0.012 1 264 28 28 VAL C C 177.809 0.200 1 265 28 28 VAL CA C 66.013 0.200 1 266 28 28 VAL CB C 32.050 0.200 1 267 28 28 VAL CG1 C 22.911 0.200 2 268 28 28 VAL CG2 C 21.759 0.322 2 269 28 28 VAL N N 113.720 0.285 1 270 29 29 PHE H H 7.915 0.007 1 271 29 29 PHE HA H 4.209 0.003 1 272 29 29 PHE HB2 H 3.096 0.015 2 273 29 29 PHE HB3 H 2.945 0.016 2 274 29 29 PHE HD2 H 7.130 0.008 3 275 29 29 PHE C C 176.366 0.200 1 276 29 29 PHE CA C 60.858 0.200 1 277 29 29 PHE CB C 39.597 0.039 1 278 29 29 PHE CD2 C 130.900 0.200 3 279 29 29 PHE N N 115.458 0.108 1 280 30 30 TYR H H 8.002 0.013 1 281 30 30 TYR HA H 4.241 0.002 1 282 30 30 TYR HB2 H 3.250 0.005 2 283 30 30 TYR HB3 H 2.878 0.016 2 284 30 30 TYR HD1 H 7.265 0.012 3 285 30 30 TYR HE1 H 6.691 0.015 3 286 30 30 TYR C C 175.388 0.200 1 287 30 30 TYR CA C 59.386 0.200 1 288 30 30 TYR CB C 39.640 0.206 1 289 30 30 TYR CD1 C 132.896 0.200 3 290 30 30 TYR CE1 C 118.222 0.200 3 291 30 30 TYR N N 115.649 0.109 1 292 31 31 LEU H H 7.514 0.015 1 293 31 31 LEU HA H 4.448 0.019 1 294 31 31 LEU HB2 H 1.816 0.010 2 295 31 31 LEU HD1 H 0.835 0.004 1 296 31 31 LEU CA C 54.149 0.200 1 297 31 31 LEU CB C 42.336 0.200 1 298 31 31 LEU CD1 C 24.558 0.200 2 299 31 31 LEU N N 121.144 0.068 1 300 32 32 PRO HD2 H 3.751 0.015 2 301 32 32 PRO HD3 H 3.543 0.006 2 302 32 32 PRO C C 176.530 0.200 1 303 32 32 PRO CD C 50.403 0.010 1 304 33 33 SER H H 8.370 0.010 1 305 33 33 SER HA H 4.317 0.015 1 306 33 33 SER C C 174.174 0.200 1 307 33 33 SER CA C 59.954 0.200 1 308 33 33 SER N N 115.448 0.047 1 309 34 34 ASP H H 8.209 0.025 1 310 34 34 ASP HA H 4.585 0.004 1 311 34 34 ASP HB2 H 2.680 0.002 2 312 34 34 ASP C C 175.971 0.200 1 313 34 34 ASP CA C 54.442 0.200 1 314 34 34 ASP CB C 41.240 0.200 1 315 34 34 ASP N N 119.694 0.029 1 316 35 35 CYS H H 7.750 0.010 1 317 35 35 CYS HA H 4.203 0.021 1 318 35 35 CYS HB2 H 3.000 0.013 2 319 35 35 CYS HB3 H 2.899 0.015 2 320 35 35 CYS C C 175.147 0.200 1 321 35 35 CYS CA C 61.121 0.200 1 322 35 35 CYS CB C 27.886 0.010 1 323 35 35 CYS N N 114.872 0.029 1 324 36 36 GLY H H 8.357 0.014 1 325 36 36 GLY HA2 H 3.874 0.015 2 326 36 36 GLY C C 174.391 0.200 1 327 36 36 GLY CA C 46.287 0.200 1 328 36 36 GLY N N 110.059 0.001 1 329 37 37 GLU H H 8.359 0.007 1 330 37 37 GLU HA H 4.066 0.015 1 331 37 37 GLU HB3 H 2.036 0.007 2 332 37 37 GLU HG2 H 2.281 0.007 2 333 37 37 GLU C C 176.536 0.200 1 334 37 37 GLU CA C 58.526 0.200 1 335 37 37 GLU CB C 29.730 0.200 1 336 37 37 GLU CG C 36.375 0.200 1 337 37 37 GLU N N 121.785 0.176 1 338 38 38 LYS H H 8.226 0.016 1 339 38 38 LYS HA H 4.123 0.019 1 340 38 38 LYS HB2 H 1.828 0.003 2 341 38 38 LYS HG2 H 1.399 0.009 2 342 38 38 LYS HD2 H 1.653 0.016 2 343 38 38 LYS HD3 H 1.653 0.016 2 344 38 38 LYS HE2 H 2.950 0.007 2 345 38 38 LYS HE3 H 2.950 0.007 2 346 38 38 LYS C C 177.544 0.200 1 347 38 38 LYS CA C 58.569 0.200 1 348 38 38 LYS CB C 31.677 0.200 1 349 38 38 LYS CG C 24.838 0.014 1 350 38 38 LYS CD C 28.991 0.200 1 351 38 38 LYS CE C 42.210 0.050 1 352 38 38 LYS N N 123.927 0.240 1 353 39 39 MET H H 8.262 0.007 1 354 39 39 MET HA H 4.135 0.015 1 355 39 39 MET HB2 H 2.170 0.015 2 356 39 39 MET HG2 H 2.570 0.015 2 357 39 39 MET HE H 2.026 0.015 1 358 39 39 MET C C 178.602 0.200 1 359 39 39 MET CA C 58.851 0.200 1 360 39 39 MET CB C 32.220 0.200 1 361 39 39 MET CG C 32.833 0.200 1 362 39 39 MET CE C 17.582 0.200 1 363 39 39 MET N N 117.932 0.010 1 364 40 40 THR H H 8.341 0.005 1 365 40 40 THR HA H 3.673 0.012 1 366 40 40 THR HG2 H 1.114 0.009 1 367 40 40 THR C C 175.927 0.200 1 368 40 40 THR CA C 67.352 0.200 1 369 40 40 THR CG2 C 21.666 0.200 1 370 40 40 THR N N 117.201 0.009 1 371 41 41 LEU H H 8.181 0.008 1 372 41 41 LEU HA H 4.052 0.015 1 373 41 41 LEU HB3 H 1.599 0.015 2 374 41 41 LEU HD1 H 0.830 0.015 1 375 41 41 LEU C C 177.809 0.200 1 376 41 41 LEU CA C 58.387 0.200 1 377 41 41 LEU CD1 C 25.154 0.200 2 378 41 41 LEU N N 120.040 0.121 1 379 42 42 CYS H H 7.949 0.025 1 380 42 42 CYS HA H 3.952 0.017 1 381 42 42 CYS HB2 H 3.133 0.016 2 382 42 42 CYS HB3 H 2.691 0.012 2 383 42 42 CYS C C 176.460 0.200 1 384 42 42 CYS CA C 64.496 0.200 1 385 42 42 CYS CB C 26.833 0.146 1 386 42 42 CYS N N 117.556 0.300 1 387 43 43 ILE H H 8.347 0.007 1 388 43 43 ILE HA H 3.629 0.015 1 389 43 43 ILE HB H 1.842 0.015 1 390 43 43 ILE HG13 H 1.217 0.015 2 391 43 43 ILE HG2 H 0.869 0.015 1 392 43 43 ILE HD1 H 0.780 0.015 1 393 43 43 ILE C C 177.256 0.200 1 394 43 43 ILE CA C 65.075 0.200 1 395 43 43 ILE CB C 37.944 0.200 1 396 43 43 ILE CG1 C 28.521 0.200 1 397 43 43 ILE CG2 C 17.782 0.200 1 398 43 43 ILE CD1 C 13.241 0.200 1 399 43 43 ILE N N 117.336 0.114 1 400 44 44 SER H H 8.064 0.013 1 401 44 44 SER HA H 4.083 0.013 1 402 44 44 SER HB2 H 3.744 0.004 2 403 44 44 SER C C 176.305 0.200 1 404 44 44 SER CA C 63.348 0.200 1 405 44 44 SER CB C 62.954 0.200 1 406 44 44 SER N N 116.243 0.089 1 407 45 45 VAL H H 8.036 0.018 1 408 45 45 VAL HA H 3.516 0.027 1 409 45 45 VAL HB H 2.208 0.003 1 410 45 45 VAL HG1 H 0.996 0.013 1 411 45 45 VAL HG2 H 0.855 0.013 1 412 45 45 VAL C C 177.247 0.200 1 413 45 45 VAL CA C 66.938 0.200 1 414 45 45 VAL CB C 31.760 0.200 1 415 45 45 VAL CG1 C 23.401 0.200 2 416 45 45 VAL CG2 C 21.508 0.200 2 417 45 45 VAL N N 120.333 0.211 1 418 46 46 LEU H H 7.959 0.007 1 419 46 46 LEU HA H 3.948 0.004 1 420 46 46 LEU HB2 H 1.812 0.015 2 421 46 46 LEU HG H 1.745 0.015 1 422 46 46 LEU HD1 H 0.822 0.015 1 423 46 46 LEU C C 180.032 0.200 1 424 46 46 LEU CA C 58.526 0.200 1 425 46 46 LEU CB C 41.985 0.200 1 426 46 46 LEU CG C 26.934 0.200 1 427 46 46 LEU CD1 C 25.089 0.200 2 428 46 46 LEU N N 119.430 0.015 1 429 47 47 LEU H H 8.695 0.006 1 430 47 47 LEU HA H 3.998 0.004 1 431 47 47 LEU HB2 H 1.765 0.010 2 432 47 47 LEU HG H 1.781 0.015 1 433 47 47 LEU HD1 H 0.811 0.015 1 434 47 47 LEU C C 177.985 0.200 1 435 47 47 LEU CA C 58.439 0.200 1 436 47 47 LEU CB C 42.046 0.200 1 437 47 47 LEU CG C 26.899 0.200 1 438 47 47 LEU CD1 C 25.181 0.200 2 439 47 47 LEU N N 121.110 0.047 1 440 48 48 ALA H H 8.272 0.011 1 441 48 48 ALA HA H 3.845 0.008 1 442 48 48 ALA HB H 1.407 0.017 1 443 48 48 ALA C C 178.834 0.200 1 444 48 48 ALA CA C 55.709 0.200 1 445 48 48 ALA CB C 18.133 0.064 1 446 48 48 ALA N N 121.251 0.103 1 447 49 49 LEU H H 8.526 0.006 1 448 49 49 LEU HA H 3.997 0.014 1 449 49 49 LEU HB2 H 1.788 0.016 2 450 49 49 LEU HB3 H 1.623 0.006 2 451 49 49 LEU HG H 1.791 0.003 1 452 49 49 LEU HD1 H 0.778 0.014 1 453 49 49 LEU C C 178.068 0.200 1 454 49 49 LEU CA C 58.308 0.200 1 455 49 49 LEU CB C 41.946 0.004 1 456 49 49 LEU CG C 26.993 0.090 1 457 49 49 LEU CD1 C 24.389 0.103 2 458 49 49 LEU N N 116.290 0.099 1 459 50 50 THR H H 7.996 0.005 1 460 50 50 THR HA H 3.692 0.006 1 461 50 50 THR HG2 H 1.182 0.002 1 462 50 50 THR C C 176.061 0.200 1 463 50 50 THR CA C 68.786 0.200 1 464 50 50 THR CG2 C 21.999 0.200 1 465 50 50 THR N N 115.495 0.200 1 466 51 51 VAL H H 8.145 0.005 1 467 51 51 VAL HA H 3.496 0.005 1 468 51 51 VAL HB H 2.155 0.015 1 469 51 51 VAL HG1 H 1.016 0.015 1 470 51 51 VAL HG2 H 0.845 0.015 1 471 51 51 VAL C C 177.063 0.200 1 472 51 51 VAL CA C 67.363 0.200 1 473 51 51 VAL CB C 31.618 0.200 1 474 51 51 VAL CG1 C 23.392 0.200 2 475 51 51 VAL CG2 C 21.639 0.200 2 476 51 51 VAL N N 119.977 0.300 1 477 52 52 PHE H H 8.354 0.011 1 478 52 52 PHE HA H 4.102 0.004 1 479 52 52 PHE HB2 H 3.240 0.021 2 480 52 52 PHE HD1 H 7.033 0.023 3 481 52 52 PHE C C 176.721 0.200 1 482 52 52 PHE CA C 61.639 0.026 1 483 52 52 PHE CB C 39.329 0.200 1 484 52 52 PHE CD1 C 130.882 0.200 3 485 52 52 PHE N N 118.836 0.030 1 486 53 53 LEU H H 8.438 0.016 1 487 53 53 LEU HA H 3.872 0.018 1 488 53 53 LEU HB2 H 1.907 0.015 2 489 53 53 LEU HB3 H 1.650 0.015 2 490 53 53 LEU HG H 1.978 0.015 1 491 53 53 LEU HD1 H 0.832 0.001 1 492 53 53 LEU C C 179.184 0.200 1 493 53 53 LEU CA C 57.857 0.089 1 494 53 53 LEU CB C 41.995 0.052 1 495 53 53 LEU CG C 27.057 0.200 1 496 53 53 LEU CD1 C 25.005 0.200 2 497 53 53 LEU N N 117.271 0.086 1 498 54 54 LEU H H 8.147 0.010 1 499 54 54 LEU HA H 4.007 0.015 1 500 54 54 LEU HB2 H 1.852 0.015 2 501 54 54 LEU HG H 1.800 0.015 1 502 54 54 LEU HD1 H 0.800 0.015 1 503 54 54 LEU C C 179.224 0.200 1 504 54 54 LEU CA C 58.088 0.200 1 505 54 54 LEU CB C 42.029 0.200 1 506 54 54 LEU CG C 26.974 0.200 1 507 54 54 LEU CD1 C 24.909 0.200 2 508 54 54 LEU N N 119.310 0.154 1 509 55 55 LEU H H 8.096 0.008 1 510 55 55 LEU HA H 4.100 0.015 1 511 55 55 LEU HB2 H 1.830 0.005 2 512 55 55 LEU HB3 H 1.555 0.004 2 513 55 55 LEU HG H 1.817 0.015 1 514 55 55 LEU HD1 H 0.812 0.007 1 515 55 55 LEU C C 178.974 0.200 1 516 55 55 LEU CA C 57.861 0.200 1 517 55 55 LEU CB C 41.972 0.049 1 518 55 55 LEU CG C 27.039 0.200 1 519 55 55 LEU CD1 C 24.672 0.200 2 520 55 55 LEU N N 118.400 0.113 1 521 56 56 ILE H H 8.028 0.020 1 522 56 56 ILE HA H 3.856 0.010 1 523 56 56 ILE HB H 1.779 0.014 1 524 56 56 ILE HG12 H 1.270 0.009 2 525 56 56 ILE HG13 H 1.060 0.006 2 526 56 56 ILE HG2 H 0.700 0.004 1 527 56 56 ILE HD1 H 0.595 0.021 1 528 56 56 ILE C C 176.763 0.200 1 529 56 56 ILE CA C 63.511 0.200 1 530 56 56 ILE CB C 37.689 0.227 1 531 56 56 ILE CG1 C 28.619 0.081 1 532 56 56 ILE CG2 C 18.128 0.102 1 533 56 56 ILE CD1 C 13.498 0.060 1 534 56 56 ILE N N 115.919 0.071 1 535 57 57 SER H H 7.689 0.016 1 536 57 57 SER HA H 4.178 0.015 1 537 57 57 SER HB2 H 3.883 0.012 2 538 57 57 SER C C 175.258 0.200 1 539 57 57 SER CA C 60.946 0.200 1 540 57 57 SER CB C 63.558 0.200 1 541 57 57 SER N N 114.862 0.300 1 542 58 58 LYS H H 7.595 0.012 1 543 58 58 LYS HA H 4.287 0.015 1 544 58 58 LYS HB2 H 1.897 0.010 2 545 58 58 LYS HG2 H 1.412 0.001 2 546 58 58 LYS HD2 H 1.632 0.001 2 547 58 58 LYS HD3 H 1.632 0.001 2 548 58 58 LYS HE2 H 2.861 0.015 2 549 58 58 LYS HE3 H 2.861 0.015 2 550 58 58 LYS C C 176.668 0.200 1 551 58 58 LYS CA C 56.107 0.200 1 552 58 58 LYS CB C 32.064 0.200 1 553 58 58 LYS CG C 24.877 0.014 1 554 58 58 LYS CD C 28.678 0.200 1 555 58 58 LYS CE C 41.998 0.200 1 556 58 58 LYS N N 118.080 0.115 1 557 59 59 ILE H H 7.706 0.013 1 558 59 59 ILE HA H 4.034 0.008 1 559 59 59 ILE HB H 1.885 0.006 1 560 59 59 ILE HG12 H 1.597 0.015 2 561 59 59 ILE HG13 H 1.244 0.001 2 562 59 59 ILE HG2 H 0.876 0.015 1 563 59 59 ILE HD1 H 0.777 0.015 1 564 59 59 ILE C C 175.226 0.200 1 565 59 59 ILE CA C 62.384 0.200 1 566 59 59 ILE CB C 38.073 0.200 1 567 59 59 ILE CG1 C 28.590 0.062 1 568 59 59 ILE CG2 C 17.965 0.200 1 569 59 59 ILE CD1 C 13.574 0.200 1 570 59 59 ILE N N 116.926 0.078 1 571 60 60 VAL H H 7.586 0.013 1 572 60 60 VAL HA H 4.326 0.015 1 573 60 60 VAL HB H 1.969 0.006 1 574 60 60 VAL HG1 H 0.902 0.015 1 575 60 60 VAL HG2 H 0.873 0.011 1 576 60 60 VAL CA C 59.747 0.200 1 577 60 60 VAL CB C 32.266 0.200 1 578 60 60 VAL CG1 C 21.762 0.200 2 579 60 60 VAL CG2 C 20.982 0.200 2 580 60 60 VAL N N 119.235 0.077 1 581 61 61 PRO HA H 4.644 0.007 1 582 61 61 PRO HB2 H 2.306 0.006 2 583 61 61 PRO HB3 H 1.894 0.008 2 584 61 61 PRO HG2 H 1.999 0.015 2 585 61 61 PRO HG3 H 2.014 0.015 2 586 61 61 PRO HD2 H 3.743 0.015 2 587 61 61 PRO HD3 H 3.564 0.020 2 588 61 61 PRO CA C 61.521 0.117 1 589 61 61 PRO CB C 31.136 0.083 1 590 61 61 PRO CG C 28.012 0.200 1 591 61 61 PRO CD C 50.401 0.002 1 592 62 62 PRO HA H 4.491 0.015 1 593 62 62 PRO HB2 H 2.235 0.010 2 594 62 62 PRO HB3 H 1.792 0.015 2 595 62 62 PRO HG2 H 1.944 0.029 2 596 62 62 PRO HD2 H 3.795 0.016 2 597 62 62 PRO HD3 H 3.654 0.006 2 598 62 62 PRO C C 176.912 0.200 1 599 62 62 PRO CA C 63.243 0.200 1 600 62 62 PRO CB C 31.878 0.099 1 601 62 62 PRO CG C 27.464 0.200 1 602 62 62 PRO CD C 50.443 0.015 1 603 63 63 THR H H 7.915 0.014 1 604 63 63 THR HA H 4.447 0.025 1 605 63 63 THR HB H 4.295 0.013 1 606 63 63 THR HG2 H 1.188 0.009 1 607 63 63 THR C C 174.725 0.200 1 608 63 63 THR CA C 61.245 0.200 1 609 63 63 THR CB C 69.807 0.153 1 610 63 63 THR CG2 C 21.698 0.025 1 611 63 63 THR N N 111.607 0.137 1 612 64 64 SER H H 8.127 0.005 1 613 64 64 SER HA H 4.411 0.015 1 614 64 64 SER HB2 H 3.858 0.015 2 615 64 64 SER C C 174.580 0.200 1 616 64 64 SER CA C 58.608 0.200 1 617 64 64 SER CB C 63.742 0.200 1 618 64 64 SER N N 116.516 0.099 1 619 65 65 SER H H 8.169 0.015 1 620 65 65 SER HA H 4.453 0.005 1 621 65 65 SER HB2 H 3.865 0.022 2 622 65 65 SER C C 174.100 0.200 1 623 65 65 SER CA C 58.584 0.200 1 624 65 65 SER CB C 63.668 0.200 1 625 65 65 SER N N 116.921 0.025 1 626 66 66 ASP H H 8.154 0.025 1 627 66 66 ASP HA H 4.624 0.005 1 628 66 66 ASP HB2 H 2.654 0.006 2 629 66 66 ASP HB3 H 2.617 0.015 2 630 66 66 ASP C C 175.730 0.200 1 631 66 66 ASP CA C 54.245 0.060 1 632 66 66 ASP CB C 41.195 0.001 1 633 66 66 ASP N N 120.478 0.059 1 634 67 67 SER H H 7.930 0.005 1 635 67 67 SER HA H 4.528 0.006 1 636 67 67 SER HB2 H 3.834 0.015 2 637 67 67 SER CA C 56.493 0.200 1 638 67 67 SER CB C 63.604 0.200 1 639 67 67 SER N N 115.159 0.097 1 640 68 68 PRO HA H 4.395 0.015 1 641 68 68 PRO HB2 H 2.069 0.006 2 642 68 68 PRO HB3 H 1.782 0.010 2 643 68 68 PRO HD2 H 3.773 0.015 2 644 68 68 PRO HD3 H 3.722 0.015 2 645 68 68 PRO C C 176.652 0.200 1 646 68 68 PRO CA C 63.593 0.200 1 647 68 68 PRO CB C 31.352 0.009 1 648 68 68 PRO CD C 50.367 0.007 1 649 69 69 SER H H 8.256 0.004 1 650 69 69 SER HA H 4.436 0.015 1 651 69 69 SER HB2 H 3.896 0.012 2 652 69 69 SER C C 174.611 0.200 1 653 69 69 SER CA C 58.264 0.200 1 654 69 69 SER CB C 63.919 0.200 1 655 69 69 SER N N 115.859 0.095 1 656 70 70 VAL H H 8.211 0.006 1 657 70 70 VAL HA H 3.802 0.015 1 658 70 70 VAL HB H 2.071 0.012 1 659 70 70 VAL HG1 H 0.970 0.003 1 660 70 70 VAL HG2 H 0.887 0.001 1 661 70 70 VAL C C 177.772 0.200 1 662 70 70 VAL CA C 66.644 0.200 1 663 70 70 VAL CB C 31.896 0.200 1 664 70 70 VAL CG1 C 23.304 0.200 2 665 70 70 VAL CG2 C 21.543 0.200 2 666 70 70 VAL N N 117.241 0.025 1 667 71 71 GLY H H 8.566 0.013 1 668 71 71 GLY HA2 H 3.921 0.027 2 669 71 71 GLY HA3 H 3.694 0.005 2 670 71 71 GLY C C 175.551 0.200 1 671 71 71 GLY CA C 47.245 0.017 1 672 71 71 GLY N N 106.999 0.052 1 673 72 72 GLU H H 7.919 0.008 1 674 72 72 GLU HA H 3.889 0.024 1 675 72 72 GLU HB2 H 2.124 0.005 2 676 72 72 GLU HB3 H 1.840 0.017 2 677 72 72 GLU HG2 H 2.231 0.012 2 678 72 72 GLU C C 178.495 0.200 1 679 72 72 GLU CA C 60.118 0.200 1 680 72 72 GLU CB C 29.590 0.017 1 681 72 72 GLU CG C 36.498 0.200 1 682 72 72 GLU N N 121.376 0.033 1 683 73 73 TYR H H 8.095 0.010 1 684 73 73 TYR HA H 4.062 0.015 1 685 73 73 TYR HB2 H 3.173 0.009 2 686 73 73 TYR HD1 H 6.992 0.015 3 687 73 73 TYR HE1 H 6.659 0.020 3 688 73 73 TYR C C 179.921 0.200 1 689 73 73 TYR CA C 62.130 0.200 1 690 73 73 TYR CB C 38.917 0.200 1 691 73 73 TYR CD1 C 132.563 0.200 3 692 73 73 TYR CE1 C 118.113 0.183 3 693 73 73 TYR N N 117.643 0.079 1 694 74 74 LEU H H 8.615 0.010 1 695 74 74 LEU HA H 4.063 0.020 1 696 74 74 LEU HB2 H 1.830 0.005 2 697 74 74 LEU HB3 H 1.682 0.001 2 698 74 74 LEU HG H 1.810 0.015 1 699 74 74 LEU HD1 H 0.887 0.002 1 700 74 74 LEU C C 178.385 0.200 1 701 74 74 LEU CA C 58.474 0.200 1 702 74 74 LEU CB C 41.938 0.083 1 703 74 74 LEU CG C 27.004 0.200 1 704 74 74 LEU CD1 C 24.839 0.200 2 705 74 74 LEU N N 121.712 0.091 1 706 75 75 MET H H 8.362 0.012 1 707 75 75 MET HA H 4.056 0.006 1 708 75 75 MET HB2 H 2.178 0.015 2 709 75 75 MET HB3 H 2.012 0.006 2 710 75 75 MET HG2 H 2.558 0.011 2 711 75 75 MET HG3 H 2.559 0.015 2 712 75 75 MET HE H 1.893 0.015 1 713 75 75 MET C C 177.851 0.200 1 714 75 75 MET CA C 59.166 0.200 1 715 75 75 MET CB C 32.093 0.039 1 716 75 75 MET CG C 32.587 0.094 1 717 75 75 MET CE C 17.333 0.040 1 718 75 75 MET N N 119.087 0.070 1 719 76 76 PHE H H 8.471 0.014 1 720 76 76 PHE HA H 4.105 0.009 1 721 76 76 PHE HB2 H 3.174 0.005 2 722 76 76 PHE HD1 H 7.030 0.005 3 723 76 76 PHE C C 177.305 0.200 1 724 76 76 PHE CA C 61.376 0.200 1 725 76 76 PHE CB C 38.961 0.200 1 726 76 76 PHE CD1 C 130.809 0.200 3 727 76 76 PHE N N 117.788 0.078 1 728 77 77 THR H H 8.179 0.015 1 729 77 77 THR HA H 3.673 0.010 1 730 77 77 THR HB H 4.156 0.004 1 731 77 77 THR HG2 H 1.134 0.011 1 732 77 77 THR C C 176.057 0.200 1 733 77 77 THR CA C 68.423 0.200 1 734 77 77 THR CB C 68.204 0.200 1 735 77 77 THR CG2 C 21.815 0.200 1 736 77 77 THR N N 115.298 0.016 1 737 78 78 MET H H 8.310 0.010 1 738 78 78 MET HA H 4.092 0.011 1 739 78 78 MET HB2 H 2.191 0.001 2 740 78 78 MET HG2 H 2.573 0.014 2 741 78 78 MET HG3 H 2.493 0.015 2 742 78 78 MET HE H 1.895 0.015 1 743 78 78 MET C C 179.421 0.200 1 744 78 78 MET CA C 58.810 0.200 1 745 78 78 MET CB C 32.176 0.200 1 746 78 78 MET CG C 32.695 0.016 1 747 78 78 MET CE C 17.315 0.200 1 748 78 78 MET N N 119.204 0.030 1 749 79 79 VAL H H 8.239 0.015 1 750 79 79 VAL HA H 3.492 0.015 1 751 79 79 VAL HB H 2.186 0.017 1 752 79 79 VAL HG1 H 1.010 0.016 1 753 79 79 VAL HG2 H 0.737 0.015 1 754 79 79 VAL C C 176.866 0.200 1 755 79 79 VAL CA C 67.374 0.200 1 756 79 79 VAL CB C 31.615 0.200 1 757 79 79 VAL CG1 C 23.419 0.200 2 758 79 79 VAL CG2 C 21.745 0.094 2 759 79 79 VAL N N 122.115 0.124 1 760 80 80 LEU H H 8.058 0.010 1 761 80 80 LEU HA H 3.939 0.027 1 762 80 80 LEU HB2 H 1.606 0.012 2 763 80 80 LEU HB3 H 1.537 0.015 2 764 80 80 LEU HG H 1.549 0.015 1 765 80 80 LEU HD1 H 0.716 0.007 1 766 80 80 LEU C C 180.078 0.200 1 767 80 80 LEU CA C 58.597 0.200 1 768 80 80 LEU CB C 41.941 0.200 1 769 80 80 LEU CG C 27.162 0.200 1 770 80 80 LEU CD1 C 24.321 0.075 2 771 80 80 LEU N N 120.240 0.082 1 772 81 81 VAL H H 8.800 0.010 1 773 81 81 VAL HA H 3.458 0.008 1 774 81 81 VAL HB H 2.175 0.003 1 775 81 81 VAL HG1 H 1.004 0.015 1 776 81 81 VAL HG2 H 0.845 0.008 1 777 81 81 VAL C C 177.670 0.200 1 778 81 81 VAL CA C 67.337 0.200 1 779 81 81 VAL CB C 31.615 0.200 1 780 81 81 VAL CG1 C 23.364 0.200 2 781 81 81 VAL CG2 C 21.788 0.200 2 782 81 81 VAL N N 120.008 0.160 1 783 82 82 THR H H 8.109 0.009 1 784 82 82 THR HA H 3.676 0.019 1 785 82 82 THR HB H 4.172 0.003 1 786 82 82 THR HG2 H 1.041 0.009 1 787 82 82 THR C C 176.268 0.200 1 788 82 82 THR CA C 68.590 0.200 1 789 82 82 THR CB C 68.468 0.200 1 790 82 82 THR CG2 C 21.444 0.200 1 791 82 82 THR N N 116.872 0.008 1 792 83 83 PHE H H 8.754 0.009 1 793 83 83 PHE HA H 4.081 0.015 1 794 83 83 PHE HB2 H 3.111 0.014 2 795 83 83 PHE HD2 H 6.989 0.200 3 796 83 83 PHE C C 178.015 0.200 1 797 83 83 PHE CA C 61.612 0.200 1 798 83 83 PHE CB C 38.686 0.200 1 799 83 83 PHE CD2 C 130.720 0.200 3 800 83 83 PHE N N 119.777 0.057 1 801 84 84 SER H H 8.335 0.018 1 802 84 84 SER HA H 4.091 0.009 1 803 84 84 SER HB2 H 3.754 0.004 2 804 84 84 SER C C 175.899 0.200 1 805 84 84 SER CA C 63.269 0.200 1 806 84 84 SER CB C 62.962 0.200 1 807 84 84 SER N N 117.769 0.133 1 808 85 85 ILE H H 8.187 0.009 1 809 85 85 ILE HA H 3.649 0.009 1 810 85 85 ILE HB H 1.898 0.015 1 811 85 85 ILE HG12 H 1.445 0.006 2 812 85 85 ILE HG13 H 1.092 0.015 2 813 85 85 ILE HG2 H 0.809 0.011 1 814 85 85 ILE HD1 H 0.726 0.002 1 815 85 85 ILE C C 177.778 0.200 1 816 85 85 ILE CA C 65.504 0.200 1 817 85 85 ILE CB C 38.115 0.200 1 818 85 85 ILE CG1 C 28.435 0.028 1 819 85 85 ILE CG2 C 17.385 0.200 1 820 85 85 ILE CD1 C 13.708 0.022 1 821 85 85 ILE N N 122.986 0.139 1 822 86 86 VAL H H 8.367 0.007 1 823 86 86 VAL HA H 3.509 0.015 1 824 86 86 VAL HB H 2.143 0.002 1 825 86 86 VAL HG1 H 0.977 0.015 1 826 86 86 VAL HG2 H 0.863 0.015 1 827 86 86 VAL C C 177.816 0.200 1 828 86 86 VAL CA C 67.047 0.200 1 829 86 86 VAL CB C 31.597 0.200 1 830 86 86 VAL CG1 C 23.383 0.200 2 831 86 86 VAL CG2 C 21.640 0.200 2 832 86 86 VAL N N 117.289 0.061 1 833 87 87 THR H H 8.007 0.018 1 834 87 87 THR HA H 3.758 0.015 1 835 87 87 THR HG2 H 0.971 0.017 1 836 87 87 THR C C 176.095 0.200 1 837 87 87 THR CA C 67.248 0.200 1 838 87 87 THR CG2 C 22.493 0.353 1 839 87 87 THR N N 116.788 0.081 1 840 88 88 SER H H 7.662 0.003 1 841 88 88 SER HA H 4.018 0.018 1 842 88 88 SER HB2 H 3.734 0.009 2 843 88 88 SER C C 174.932 0.200 1 844 88 88 SER CA C 62.717 0.200 1 845 88 88 SER CB C 62.954 0.200 1 846 88 88 SER N N 116.157 0.087 1 847 89 89 VAL H H 8.274 0.003 1 848 89 89 VAL HA H 3.516 0.004 1 849 89 89 VAL HG1 H 0.976 0.003 1 850 89 89 VAL HG2 H 0.853 0.009 1 851 89 89 VAL CA C 67.266 0.200 1 852 89 89 VAL CG1 C 23.384 0.200 2 853 89 89 VAL CG2 C 21.841 0.200 2 854 89 89 VAL N N 117.956 0.113 1 855 90 90 CYS H H 7.654 0.025 1 856 90 90 CYS HA H 4.229 0.015 1 857 90 90 CYS HB2 H 3.115 0.015 2 858 90 90 CYS C C 175.174 0.015 1 859 90 90 CYS CA C 62.618 0.015 1 860 90 90 CYS CB C 26.791 0.015 1 861 90 90 CYS N N 116.319 0.300 1 862 91 91 VAL H H 7.760 0.005 1 863 91 91 VAL HA H 3.626 0.015 1 864 91 91 VAL HB H 2.152 0.001 1 865 91 91 VAL HG1 H 0.961 0.015 1 866 91 91 VAL HG2 H 0.835 0.015 1 867 91 91 VAL C C 176.038 0.200 1 868 91 91 VAL CA C 63.608 0.200 1 869 91 91 VAL CB C 31.922 0.200 1 870 91 91 VAL CG1 C 23.112 0.200 2 871 91 91 VAL CG2 C 21.806 0.200 2 872 91 91 VAL N N 115.534 0.127 1 873 92 92 LEU H H 7.732 0.017 1 874 92 92 LEU HA H 4.240 0.020 1 875 92 92 LEU HB2 H 1.716 0.031 2 876 92 92 LEU HB3 H 1.506 0.007 2 877 92 92 LEU HD1 H 0.817 0.002 1 878 92 92 LEU C C 176.769 0.200 1 879 92 92 LEU CA C 55.590 0.209 1 880 92 92 LEU CB C 41.932 0.106 1 881 92 92 LEU CD1 C 24.944 0.200 2 882 92 92 LEU N N 119.713 0.038 1 883 93 93 ASN H H 7.916 0.012 1 884 93 93 ASN HA H 4.676 0.010 1 885 93 93 ASN HB2 H 2.819 0.015 2 886 93 93 ASN HB3 H 2.697 0.022 2 887 93 93 ASN C C 174.955 0.200 1 888 93 93 ASN CA C 53.255 0.200 1 889 93 93 ASN CB C 39.508 0.039 1 890 93 93 ASN N N 117.817 0.025 1 891 94 94 VAL H H 7.730 0.006 1 892 94 94 VAL HA H 4.024 0.010 1 893 94 94 VAL HB H 2.016 0.008 1 894 94 94 VAL HG1 H 0.902 0.015 1 895 94 94 VAL HG2 H 0.814 0.003 1 896 94 94 VAL C C 175.740 0.200 1 897 94 94 VAL CA C 62.532 0.200 1 898 94 94 VAL CB C 32.632 0.200 1 899 94 94 VAL CG1 C 21.762 0.200 2 900 94 94 VAL CG2 C 20.553 0.200 2 901 94 94 VAL N N 118.650 0.040 1 902 95 95 HIS H H 8.341 0.015 1 903 95 95 HIS HA H 4.619 0.016 1 904 95 95 HIS HB2 H 3.197 0.012 2 905 95 95 HIS HB3 H 3.088 0.015 2 906 95 95 HIS C C 174.146 0.200 1 907 95 95 HIS CA C 55.582 0.200 1 908 95 95 HIS CB C 29.755 0.002 1 909 95 95 HIS N N 121.293 0.056 1 910 96 96 HIS H H 8.333 0.002 1 911 96 96 HIS HA H 4.635 0.015 1 912 96 96 HIS HB2 H 3.185 0.015 2 913 96 96 HIS HB3 H 3.088 0.015 2 914 96 96 HIS CA C 55.582 0.015 1 915 96 96 HIS CB C 29.773 0.019 1 916 96 96 HIS N N 122.728 0.032 1 917 97 97 ARG HA H 4.295 0.020 1 918 97 97 ARG HB2 H 1.789 0.014 2 919 97 97 ARG HB3 H 1.714 0.015 2 920 97 97 ARG HG2 H 1.573 0.001 2 921 97 97 ARG HD2 H 3.160 0.003 2 922 97 97 ARG HD3 H 3.160 0.003 2 923 97 97 ARG C C 175.776 0.200 1 924 97 97 ARG CA C 56.230 0.200 1 925 97 97 ARG CB C 31.030 0.019 1 926 97 97 ARG CG C 27.199 0.200 1 927 97 97 ARG CD C 43.472 0.021 1 928 98 98 SER H H 8.250 0.004 1 929 98 98 SER HA H 4.736 0.004 1 930 98 98 SER HB2 H 3.838 0.001 2 931 98 98 SER CA C 56.614 0.200 1 932 98 98 SER CB C 63.622 0.200 1 933 98 98 SER N N 118.439 0.023 1 934 99 99 PRO HA H 4.394 0.001 1 935 99 99 PRO HB2 H 2.261 0.015 2 936 99 99 PRO HB3 H 1.907 0.015 2 937 99 99 PRO HG2 H 1.992 0.015 2 938 99 99 PRO HD2 H 3.786 0.008 2 939 99 99 PRO HD3 H 3.730 0.011 2 940 99 99 PRO C C 176.879 0.200 1 941 99 99 PRO CA C 63.697 0.200 1 942 99 99 PRO CB C 32.046 0.018 1 943 99 99 PRO CG C 27.459 0.200 1 944 99 99 PRO CD C 50.811 0.027 1 945 100 100 GLU H H 8.391 0.003 1 946 100 100 GLU HA H 4.299 0.015 1 947 100 100 GLU HB2 H 1.974 0.030 2 948 100 100 GLU HG2 H 2.246 0.012 2 949 100 100 GLU C C 176.576 0.200 1 950 100 100 GLU CA C 56.467 0.200 1 951 100 100 GLU CB C 29.944 0.200 1 952 100 100 GLU CG C 35.962 0.200 1 953 100 100 GLU N N 120.297 0.020 1 954 101 101 THR H H 7.946 0.001 1 955 101 101 THR HA H 4.280 0.007 1 956 101 101 THR HB H 4.159 0.015 1 957 101 101 THR HG2 H 1.136 0.008 1 958 101 101 THR C C 174.515 0.200 1 959 101 101 THR CA C 61.975 0.200 1 960 101 101 THR CB C 69.817 0.200 1 961 101 101 THR CG2 C 21.663 0.200 1 962 101 101 THR N N 114.144 0.041 1 963 102 102 HIS H H 8.459 0.017 1 964 102 102 HIS HA H 4.750 0.011 1 965 102 102 HIS HB2 H 3.293 0.015 2 966 102 102 HIS HB3 H 3.194 0.016 2 967 102 102 HIS C C 174.764 0.200 1 968 102 102 HIS CA C 55.685 0.200 1 969 102 102 HIS CB C 29.245 0.084 1 970 102 102 HIS N N 120.429 0.032 1 971 103 103 THR H H 8.068 0.003 1 972 103 103 THR HA H 4.345 0.004 1 973 103 103 THR HB H 4.222 0.001 1 974 103 103 THR HG2 H 1.161 0.003 1 975 103 103 THR C C 175.087 0.200 1 976 103 103 THR CA C 61.976 0.067 1 977 103 103 THR CB C 69.831 0.068 1 978 103 103 THR CG2 C 21.686 0.200 1 979 103 103 THR N N 114.319 0.001 1 980 104 104 GLY H H 8.389 0.007 1 981 104 104 GLY HA2 H 3.995 0.019 2 982 104 104 GLY C C 174.757 0.200 1 983 104 104 GLY CA C 45.602 0.200 1 984 104 104 GLY N N 111.143 0.019 1 985 105 105 GLY H H 8.272 0.003 1 986 105 105 GLY HA2 H 3.985 0.009 2 987 105 105 GLY C C 174.892 0.200 1 988 105 105 GLY CA C 45.602 0.200 1 989 105 105 GLY N N 108.642 0.012 1 990 106 106 GLY H H 8.359 0.011 1 991 106 106 GLY HA2 H 3.988 0.012 2 992 106 106 GLY C C 174.886 0.200 1 993 106 106 GLY CA C 45.602 0.200 1 994 106 106 GLY N N 108.820 0.300 1 995 107 107 GLY H H 8.338 0.005 1 996 107 107 GLY HA2 H 3.978 0.002 2 997 107 107 GLY C C 174.886 0.200 1 998 107 107 GLY CA C 45.602 0.200 1 999 107 107 GLY N N 108.550 0.030 1 1000 108 108 GLY H H 8.336 0.006 1 1001 108 108 GLY HA2 H 3.974 0.005 2 1002 108 108 GLY C C 175.411 0.200 1 1003 108 108 GLY CA C 45.807 0.200 1 1004 108 108 GLY N N 108.519 0.066 1 1005 109 109 ILE H H 8.233 0.005 1 1006 109 109 ILE HA H 3.976 0.021 1 1007 109 109 ILE HB H 1.881 0.008 1 1008 109 109 ILE HG12 H 1.484 0.024 2 1009 109 109 ILE HG13 H 1.226 0.019 2 1010 109 109 ILE HG2 H 0.865 0.011 1 1011 109 109 ILE HD1 H 0.828 0.015 1 1012 109 109 ILE C C 176.019 0.200 1 1013 109 109 ILE CA C 62.927 0.200 1 1014 109 109 ILE CB C 38.073 0.200 1 1015 109 109 ILE CG1 C 28.483 0.019 1 1016 109 109 ILE CG2 C 17.965 0.200 1 1017 109 109 ILE CD1 C 13.273 0.200 1 1018 109 109 ILE N N 120.914 0.033 1 1019 110 110 ASP H H 8.369 0.008 1 1020 110 110 ASP HA H 4.252 0.010 1 1021 110 110 ASP HB2 H 2.631 0.005 2 1022 110 110 ASP HB3 H 2.587 0.015 2 1023 110 110 ASP C C 177.648 0.200 1 1024 110 110 ASP CA C 56.801 0.200 1 1025 110 110 ASP CB C 40.181 0.054 1 1026 110 110 ASP N N 121.149 0.068 1 1027 111 111 ARG H H 7.835 0.009 1 1028 111 111 ARG HA H 3.989 0.012 1 1029 111 111 ARG HB2 H 1.892 0.015 2 1030 111 111 ARG HB3 H 1.850 0.015 2 1031 111 111 ARG HG3 H 1.619 0.015 2 1032 111 111 ARG HD2 H 3.251 0.010 2 1033 111 111 ARG HD3 H 3.251 0.010 2 1034 111 111 ARG C C 177.502 0.200 1 1035 111 111 ARG CA C 58.720 0.200 1 1036 111 111 ARG CB C 30.103 0.200 1 1037 111 111 ARG CG C 27.701 0.200 1 1038 111 111 ARG CD C 43.621 0.200 1 1039 111 111 ARG N N 119.198 0.073 1 1040 112 112 LEU H H 7.783 0.012 1 1041 112 112 LEU HA H 4.003 0.014 1 1042 112 112 LEU HB2 H 1.724 0.019 2 1043 112 112 LEU HD1 H 0.868 0.013 1 1044 112 112 LEU HD2 H 0.809 0.015 1 1045 112 112 LEU C C 178.356 0.200 1 1046 112 112 LEU CA C 58.235 0.200 1 1047 112 112 LEU CB C 41.743 0.200 1 1048 112 112 LEU CD1 C 25.348 0.200 2 1049 112 112 LEU CD2 C 25.154 0.200 2 1050 112 112 LEU N N 118.935 0.013 1 1051 113 113 PHE H H 8.072 0.017 1 1052 113 113 PHE HA H 4.084 0.005 1 1053 113 113 PHE HB2 H 3.147 0.026 2 1054 113 113 PHE HD2 H 7.179 0.004 3 1055 113 113 PHE C C 177.092 0.200 1 1056 113 113 PHE CA C 62.392 0.200 1 1057 113 113 PHE CB C 38.891 0.200 1 1058 113 113 PHE CD2 C 130.953 0.200 3 1059 113 113 PHE N N 116.117 0.079 1 1060 114 114 LEU H H 7.881 0.005 1 1061 114 114 LEU HA H 4.001 0.027 1 1062 114 114 LEU HB2 H 1.643 0.012 2 1063 114 114 LEU HG H 1.417 0.025 1 1064 114 114 LEU HD1 H 0.779 0.015 1 1065 114 114 LEU HD2 H 0.650 0.002 1 1066 114 114 LEU C C 178.210 0.200 1 1067 114 114 LEU CA C 58.509 0.200 1 1068 114 114 LEU CB C 41.784 0.200 1 1069 114 114 LEU CG C 27.306 0.200 1 1070 114 114 LEU CD1 C 24.598 0.204 2 1071 114 114 LEU CD2 C 24.632 0.033 2 1072 114 114 LEU N N 118.710 0.061 1 1073 115 115 TRP H H 7.925 0.006 1 1074 115 115 TRP HA H 4.282 0.003 1 1075 115 115 TRP HB2 H 3.258 0.012 2 1076 115 115 TRP HD1 H 7.199 0.018 1 1077 115 115 TRP HE3 H 7.431 0.015 1 1078 115 115 TRP HZ2 H 7.402 0.015 1 1079 115 115 TRP C C 178.536 0.200 1 1080 115 115 TRP CA C 60.744 0.200 1 1081 115 115 TRP CB C 29.125 0.200 1 1082 115 115 TRP CD1 C 126.058 0.200 1 1083 115 115 TRP CE3 C 120.360 0.200 1 1084 115 115 TRP CZ2 C 114.680 0.200 1 1085 115 115 TRP N N 117.801 0.054 1 1086 116 116 ILE H H 8.355 0.012 1 1087 116 116 ILE HA H 3.694 0.034 1 1088 116 116 ILE HB H 1.914 0.015 1 1089 116 116 ILE HG13 H 1.257 0.001 2 1090 116 116 ILE HG2 H 0.849 0.008 1 1091 116 116 ILE HD1 H 0.728 0.002 1 1092 116 116 ILE C C 177.423 0.200 1 1093 116 116 ILE CA C 65.987 0.200 1 1094 116 116 ILE CB C 38.151 0.200 1 1095 116 116 ILE CG1 C 28.600 0.200 1 1096 116 116 ILE CG2 C 17.677 0.200 1 1097 116 116 ILE CD1 C 13.660 0.068 1 1098 116 116 ILE N N 118.212 0.134 1 1099 117 117 PHE H H 8.419 0.009 1 1100 117 117 PHE HA H 4.094 0.007 1 1101 117 117 PHE HB2 H 3.231 0.013 2 1102 117 117 PHE HB3 H 3.020 0.007 2 1103 117 117 PHE HD1 H 7.006 0.013 3 1104 117 117 PHE C C 177.389 0.200 1 1105 117 117 PHE CA C 61.945 0.200 1 1106 117 117 PHE CB C 38.939 0.031 1 1107 117 117 PHE CD1 C 130.720 0.200 3 1108 117 117 PHE N N 119.509 0.013 1 1109 118 118 VAL H H 8.509 0.010 1 1110 118 118 VAL HA H 3.510 0.008 1 1111 118 118 VAL HB H 2.251 0.006 1 1112 118 118 VAL HG1 H 0.954 0.015 1 1113 118 118 VAL HG2 H 0.812 0.016 1 1114 118 118 VAL C C 177.452 0.200 1 1115 118 118 VAL CA C 67.440 0.200 1 1116 118 118 VAL CB C 31.462 0.200 1 1117 118 118 VAL CG1 C 23.143 0.200 2 1118 118 118 VAL CG2 C 21.300 0.200 2 1119 118 118 VAL N N 118.927 0.021 1 1120 119 119 PHE H H 8.477 0.009 1 1121 119 119 PHE HA H 4.040 0.015 1 1122 119 119 PHE HB2 H 3.209 0.016 2 1123 119 119 PHE HD1 H 7.001 0.012 3 1124 119 119 PHE C C 177.403 0.200 1 1125 119 119 PHE CA C 62.603 0.200 1 1126 119 119 PHE CB C 39.145 0.200 1 1127 119 119 PHE CD1 C 130.800 0.200 3 1128 119 119 PHE N N 118.638 0.053 1 1129 120 120 VAL H H 8.705 0.013 1 1130 120 120 VAL HA H 3.467 0.017 1 1131 120 120 VAL HB H 2.179 0.003 1 1132 120 120 VAL HG1 H 1.084 0.004 1 1133 120 120 VAL HG2 H 0.881 0.012 1 1134 120 120 VAL C C 177.851 0.200 1 1135 120 120 VAL CA C 67.436 0.097 1 1136 120 120 VAL CB C 31.659 0.200 1 1137 120 120 VAL CG1 C 23.293 0.335 2 1138 120 120 VAL CG2 C 21.631 0.200 2 1139 120 120 VAL N N 118.660 0.108 1 1140 121 121 CYS H H 7.981 0.008 1 1141 121 121 CYS HA H 3.902 0.018 1 1142 121 121 CYS HB2 H 2.856 0.010 2 1143 121 121 CYS C C 177.629 0.200 1 1144 121 121 CYS CA C 64.339 0.200 1 1145 121 121 CYS CB C 26.789 0.170 1 1146 121 121 CYS N N 117.055 0.178 1 1147 122 122 VAL H H 8.487 0.011 1 1148 122 122 VAL HA H 3.479 0.014 1 1149 122 122 VAL HB H 1.951 0.020 1 1150 122 122 VAL HG1 H 0.865 0.005 1 1151 122 122 VAL HG2 H 0.568 0.008 1 1152 122 122 VAL C C 176.923 0.200 1 1153 122 122 VAL CA C 67.261 0.200 1 1154 122 122 VAL CB C 32.126 0.088 1 1155 122 122 VAL CG1 C 22.998 0.200 2 1156 122 122 VAL CG2 C 21.092 0.103 2 1157 122 122 VAL N N 120.422 0.115 1 1158 123 123 PHE H H 8.630 0.008 1 1159 123 123 PHE HA H 4.034 0.020 1 1160 123 123 PHE HB3 H 2.790 0.014 2 1161 123 123 PHE HD2 H 7.042 0.005 3 1162 123 123 PHE C C 178.151 0.200 1 1163 123 123 PHE CA C 62.094 0.200 1 1164 123 123 PHE CB C 38.637 0.200 1 1165 123 123 PHE CD2 C 130.853 0.200 3 1166 123 123 PHE N N 117.927 0.071 1 1167 124 124 GLY H H 8.689 0.008 1 1168 124 124 GLY HA2 H 3.670 0.004 2 1169 124 124 GLY C C 174.290 0.200 1 1170 124 124 GLY CA C 47.551 0.200 1 1171 124 124 GLY N N 106.539 0.119 1 1172 125 125 THR H H 7.553 0.015 1 1173 125 125 THR HA H 3.649 0.005 1 1174 125 125 THR C C 176.231 0.200 1 1175 125 125 THR CA C 67.989 0.200 1 1176 125 125 THR N N 117.059 0.156 1 1177 126 126 ILE H H 8.003 0.008 1 1178 126 126 ILE HA H 3.648 0.009 1 1179 126 126 ILE HB H 1.829 0.002 1 1180 126 126 ILE HG13 H 1.241 0.018 2 1181 126 126 ILE HG2 H 0.830 0.015 1 1182 126 126 ILE HD1 H 0.791 0.015 1 1183 126 126 ILE C C 177.976 0.200 1 1184 126 126 ILE CA C 65.715 0.200 1 1185 126 126 ILE CB C 37.830 0.200 1 1186 126 126 ILE CG1 C 28.512 0.200 1 1187 126 126 ILE CG2 C 17.642 0.200 1 1188 126 126 ILE CD1 C 13.689 0.200 1 1189 126 126 ILE N N 119.538 0.014 1 1190 127 127 GLY H H 8.438 0.011 1 1191 127 127 GLY HA2 H 3.630 0.010 2 1192 127 127 GLY C C 174.597 0.200 1 1193 127 127 GLY CA C 47.569 0.200 1 1194 127 127 GLY N N 105.404 0.076 1 1195 128 128 MET H H 7.821 0.012 1 1196 128 128 MET HA H 4.153 0.017 1 1197 128 128 MET HB2 H 2.184 0.014 2 1198 128 128 MET HB3 H 1.870 0.016 2 1199 128 128 MET HG2 H 2.478 0.015 2 1200 128 128 MET HG3 H 2.418 0.011 2 1201 128 128 MET HE H 1.901 0.013 1 1202 128 128 MET C C 177.815 0.200 1 1203 128 128 MET CA C 58.198 0.200 1 1204 128 128 MET CB C 32.113 0.038 1 1205 128 128 MET CG C 32.592 0.120 1 1206 128 128 MET CE C 17.290 0.003 1 1207 128 128 MET N N 117.893 0.068 1 1208 129 129 PHE H H 7.797 0.003 1 1209 129 129 PHE HA H 4.134 0.014 1 1210 129 129 PHE HB2 H 3.184 0.011 2 1211 129 129 PHE HB3 H 3.026 0.020 2 1212 129 129 PHE HD2 H 7.179 0.005 3 1213 129 129 PHE C C 175.863 0.200 1 1214 129 129 PHE CA C 59.815 0.200 1 1215 129 129 PHE CB C 39.090 0.059 1 1216 129 129 PHE CD2 C 131.169 0.200 3 1217 129 129 PHE N N 116.018 0.057 1 1218 130 130 LEU H H 7.745 0.007 1 1219 130 130 LEU HA H 4.338 0.026 1 1220 130 130 LEU HB2 H 1.899 0.019 2 1221 130 130 LEU HD1 H 0.861 0.001 1 1222 130 130 LEU HD2 H 0.824 0.015 1 1223 130 130 LEU C C 177.219 0.200 1 1224 130 130 LEU CA C 55.467 0.200 1 1225 130 130 LEU CB C 42.424 0.200 1 1226 130 130 LEU CD1 C 26.014 0.200 2 1227 130 130 LEU CD2 C 23.591 0.200 2 1228 130 130 LEU N N 115.806 0.033 1 1229 131 131 GLN H H 7.808 0.004 1 1230 131 131 GLN HA H 4.104 0.007 1 1231 131 131 GLN HB2 H 2.186 0.015 2 1232 131 131 GLN HB3 H 2.146 0.006 2 1233 131 131 GLN HG2 H 2.354 0.007 2 1234 131 131 GLN HG3 H 2.354 0.007 2 1235 131 131 GLN HE21 H 7.385 0.015 2 1236 131 131 GLN HE22 H 6.655 0.010 2 1237 131 131 GLN CA C 60.319 0.200 1 1238 131 131 GLN CB C 26.821 0.010 1 1239 131 131 GLN CG C 34.040 0.200 1 1240 131 131 GLN N N 118.630 0.029 1 1241 131 131 GLN NE2 N 109.913 0.025 1 1242 132 132 PRO HA H 4.373 0.003 1 1243 132 132 PRO HB2 H 2.337 0.008 2 1244 132 132 PRO HB3 H 1.652 0.015 2 1245 132 132 PRO HG2 H 1.980 0.008 2 1246 132 132 PRO HD2 H 3.646 0.009 2 1247 132 132 PRO HD3 H 3.526 0.006 2 1248 132 132 PRO C C 177.739 0.200 1 1249 132 132 PRO CA C 65.383 0.200 1 1250 132 132 PRO CB C 31.526 0.133 1 1251 132 132 PRO CG C 28.003 0.200 1 1252 132 132 PRO CD C 50.478 0.147 1 1253 133 133 LEU H H 7.689 0.004 1 1254 133 133 LEU HA H 4.064 0.007 1 1255 133 133 LEU HB2 H 1.611 0.003 2 1256 133 133 LEU HB3 H 1.262 0.011 2 1257 133 133 LEU HG H 1.604 0.005 1 1258 133 133 LEU HD1 H 0.782 0.026 1 1259 133 133 LEU HD2 H 0.839 0.002 1 1260 133 133 LEU C C 176.918 0.200 1 1261 133 133 LEU CA C 56.401 0.200 1 1262 133 133 LEU CB C 41.989 0.064 1 1263 133 133 LEU CG C 27.452 0.009 1 1264 133 133 LEU CD1 C 23.909 0.040 2 1265 133 133 LEU CD2 C 25.530 0.036 2 1266 133 133 LEU N N 115.632 0.007 1 1267 134 134 PHE H H 7.679 0.003 1 1268 134 134 PHE HA H 4.529 0.003 1 1269 134 134 PHE HB2 H 3.276 0.008 2 1270 134 134 PHE HB3 H 2.952 0.012 2 1271 134 134 PHE HD2 H 7.284 0.007 3 1272 134 134 PHE C C 175.245 0.200 1 1273 134 134 PHE CA C 57.738 0.200 1 1274 134 134 PHE CB C 39.609 0.004 1 1275 134 134 PHE CD2 C 132.268 0.054 3 1276 134 134 PHE N N 114.807 0.031 1 1277 135 135 GLN H H 7.651 0.004 1 1278 135 135 GLN HA H 4.315 0.010 1 1279 135 135 GLN HB2 H 2.103 0.025 2 1280 135 135 GLN HB3 H 2.021 0.006 2 1281 135 135 GLN HG2 H 2.348 0.005 2 1282 135 135 GLN HG3 H 2.348 0.005 2 1283 135 135 GLN HE21 H 7.480 0.015 2 1284 135 135 GLN HE22 H 6.714 0.015 2 1285 135 135 GLN C C 175.361 0.200 1 1286 135 135 GLN CA C 56.107 0.200 1 1287 135 135 GLN CB C 29.866 0.056 1 1288 135 135 GLN CG C 34.040 0.200 1 1289 135 135 GLN N N 118.318 0.026 1 1290 135 135 GLN NE2 N 111.263 0.102 1 1291 136 136 GLU H H 8.109 0.006 1 1292 136 136 GLU HA H 4.311 0.011 1 1293 136 136 GLU HB2 H 2.087 0.015 2 1294 136 136 GLU HB3 H 1.920 0.015 2 1295 136 136 GLU HG2 H 2.286 0.009 2 1296 136 136 GLU C C 175.153 0.200 1 1297 136 136 GLU CA C 56.475 0.200 1 1298 136 136 GLU CB C 30.232 0.063 1 1299 136 136 GLU CG C 35.914 0.135 1 1300 136 136 GLU N N 120.684 0.029 1 1301 137 137 GLU H H 7.818 0.011 1 1302 137 137 GLU HA H 4.108 0.002 1 1303 137 137 GLU HB2 H 2.048 0.015 2 1304 137 137 GLU HB3 H 1.873 0.005 2 1305 137 137 GLU HG2 H 2.230 0.015 2 1306 137 137 GLU CA C 57.729 0.200 1 1307 137 137 GLU CB C 30.946 0.200 1 1308 137 137 GLU CG C 35.962 0.200 1 1309 137 137 GLU N N 125.292 0.057 1 stop_ save_