data_19379 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; NMR structures of the alpha7 nAChR transmembrane domain. ; _BMRB_accession_number 19379 _BMRB_flat_file_name bmr19379.str _Entry_type original _Submission_date 2013-07-19 _Accession_date 2013-07-19 _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 Xu Yan . . 4 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" 534 "13C chemical shifts" 473 "15N chemical shifts" 128 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2014-02-03 update BMRB 'update entry citation' 2013-11-11 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 human 7 nAChR transmembrane domain and associated anesthetic binding sites.' _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 24384062 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Bondarenko Vasyl . . 2 Mowrey David D. . 3 Tillman Tommy S. . 4 Seyoum Edom . . 5 Xu Yan . . 6 Tang Pei . . stop_ _Journal_abbreviation 'Biochim. Biophys. Acta' _Journal_name_full 'Biochimica et biophysica acta' _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 2013 _Details . save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name 'alpha7 nAChR transmembrane domain' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label 'alpha7 nAChR transmembrane domain' $entity 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 _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common entity _Molecular_mass 14309.850 _Mol_thiol_state 'all free' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 137 _Mol_residue_sequence ; SNAEEELYYGLNLLIPCVLI SALALLVFLLPADSGEKISL GITVLLSLTVFMLLVAEIMP STSDSSPSIAQYFASTMIIV GLSVVVTVIVLQYHHHDPDG GEGGGEGIDRLCLMAFSVFT IICTIGILMSAPNFVEE ; loop_ _Residue_seq_code _Residue_label 1 SER 2 ASN 3 ALA 4 GLU 5 GLU 6 GLU 7 LEU 8 TYR 9 TYR 10 GLY 11 LEU 12 ASN 13 LEU 14 LEU 15 ILE 16 PRO 17 CYS 18 VAL 19 LEU 20 ILE 21 SER 22 ALA 23 LEU 24 ALA 25 LEU 26 LEU 27 VAL 28 PHE 29 LEU 30 LEU 31 PRO 32 ALA 33 ASP 34 SER 35 GLY 36 GLU 37 LYS 38 ILE 39 SER 40 LEU 41 GLY 42 ILE 43 THR 44 VAL 45 LEU 46 LEU 47 SER 48 LEU 49 THR 50 VAL 51 PHE 52 MET 53 LEU 54 LEU 55 VAL 56 ALA 57 GLU 58 ILE 59 MET 60 PRO 61 SER 62 THR 63 SER 64 ASP 65 SER 66 SER 67 PRO 68 SER 69 ILE 70 ALA 71 GLN 72 TYR 73 PHE 74 ALA 75 SER 76 THR 77 MET 78 ILE 79 ILE 80 VAL 81 GLY 82 LEU 83 SER 84 VAL 85 VAL 86 VAL 87 THR 88 VAL 89 ILE 90 VAL 91 LEU 92 GLN 93 TYR 94 HIS 95 HIS 96 HIS 97 ASP 98 PRO 99 ASP 100 GLY 101 GLY 102 GLU 103 GLY 104 GLY 105 GLY 106 GLU 107 GLY 108 ILE 109 ASP 110 ARG 111 LEU 112 CYS 113 LEU 114 MET 115 ALA 116 PHE 117 SER 118 VAL 119 PHE 120 THR 121 ILE 122 ILE 123 CYS 124 THR 125 ILE 126 GLY 127 ILE 128 LEU 129 MET 130 SER 131 ALA 132 PRO 133 ASN 134 PHE 135 VAL 136 GLU 137 GLU stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2014-02-10 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 2MAW "Nmr Structures Of The Alpha7 Nachr Transmembrane Domain" 100.00 137 100.00 100.00 5.57e-90 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 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 $entity 'recombinant technology' . Escherichia coli . pTBSG stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $entity 0.25 mM '[U-100% 13C; U-100% 15N]' NaCl 10 mM 'natural abundacne' 'sodium acetate buffer' 5 mM 'natural abundacne' stop_ save_ ############################ # Computer software used # ############################ save_CYANA _Saveframe_category software _Name CYANA _Version . loop_ _Vendor _Address _Electronic_address 'Guntert, Mumenthaler and Wuthrich' . . stop_ loop_ _Task refinement 'structure solution' stop_ _Details . save_ save_SPARKY _Saveframe_category software _Name SPARKY _Version . loop_ _Vendor _Address _Electronic_address Goddard . . stop_ loop_ _Task 'chemical shift assignment' 'data analysis' stop_ _Details . save_ save_NMRPipe _Saveframe_category software _Name NMRPipe _Version . loop_ _Vendor _Address _Electronic_address 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . stop_ loop_ _Task processing stop_ _Details . save_ save_NMRDraw _Saveframe_category software _Name NMRDraw _Version . loop_ _Vendor _Address _Electronic_address 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . stop_ loop_ _Task processing stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR600 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _Field_strength 600 _Details . save_ save_NMR800 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _Field_strength 800 _Details . save_ ############################# # NMR applied experiments # ############################# save_2D_1H-15N_HSQC_1 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N HSQC' _Sample_label $sample_1 save_ save_2D_1H-13C_HSQC_2 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-13C HSQC' _Sample_label $sample_1 save_ save_3D_HNCO_3 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCO' _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_1H-15N_NOESY_6 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-15N NOESY' _Sample_label $sample_1 save_ save_3D_1H-13C_NOESY_7 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-13C NOESY' _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 'ionic strength' 0.01 . M pH 4.7 . 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 '2D 1H-15N HSQC' '2D 1H-13C HSQC' '3D HNCO' '3D HNCA' '3D HN(CO)CA' '3D 1H-15N NOESY' '3D 1H-13C NOESY' 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 'alpha7 nAChR transmembrane 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 2 2 ASN HA H 4.739 0.019 . 2 2 2 ASN HB2 H 2.859 0.036 . 3 2 2 ASN HD21 H 7.586 0.014 . 4 2 2 ASN HD22 H 6.903 0.013 . 5 2 2 ASN C C 175.435 0.010 . 6 2 2 ASN CA C 53.861 0.043 . 7 2 2 ASN CB C 39.070 0.010 . 8 2 2 ASN ND2 N 112.708 0.014 . 9 3 3 ALA H H 8.506 0.016 . 10 3 3 ALA HA H 4.165 0.012 . 11 3 3 ALA HB H 1.393 0.015 . 12 3 3 ALA C C 178.939 0.010 . 13 3 3 ALA CA C 54.739 0.030 . 14 3 3 ALA CB C 18.845 0.093 . 15 3 3 ALA N N 123.904 0.056 . 16 4 4 GLU H H 8.232 0.016 . 17 4 4 GLU HA H 4.041 0.010 . 18 4 4 GLU HB2 H 2.066 0.017 . 19 4 4 GLU HG2 H 2.268 0.011 . 20 4 4 GLU C C 177.691 0.010 . 21 4 4 GLU CA C 59.312 0.019 . 22 4 4 GLU CB C 29.905 0.010 . 23 4 4 GLU CG C 36.009 0.010 . 24 4 4 GLU N N 117.547 0.098 . 25 5 5 GLU H H 7.978 0.014 . 26 5 5 GLU HA H 4.023 0.018 . 27 5 5 GLU HB2 H 2.083 0.010 . 28 5 5 GLU HG2 H 2.399 0.013 . 29 5 5 GLU C C 178.676 0.010 . 30 5 5 GLU CA C 59.308 0.046 . 31 5 5 GLU CB C 29.905 0.010 . 32 5 5 GLU CG C 36.551 0.010 . 33 5 5 GLU N N 119.031 0.099 . 34 6 6 GLU H H 8.159 0.014 . 35 6 6 GLU HA H 4.033 0.018 . 36 6 6 GLU HB2 H 2.110 0.013 . 37 6 6 GLU HG2 H 2.399 0.014 . 38 6 6 GLU C C 178.335 0.010 . 39 6 6 GLU CA C 59.526 0.112 . 40 6 6 GLU CB C 29.739 0.010 . 41 6 6 GLU CG C 36.551 0.010 . 42 6 6 GLU N N 118.528 0.076 . 43 7 7 LEU H H 7.859 0.015 . 44 7 7 LEU HA H 4.019 0.012 . 45 7 7 LEU HB2 H 1.654 0.015 . 46 7 7 LEU HD1 H 0.890 0.019 . 47 7 7 LEU C C 178.172 0.010 . 48 7 7 LEU CA C 58.024 0.018 . 49 7 7 LEU CB C 41.907 0.010 . 50 7 7 LEU CD1 C 25.104 0.049 . 51 7 7 LEU N N 119.046 0.092 . 52 8 8 TYR H H 7.983 0.015 . 53 8 8 TYR HA H 4.097 0.010 . 54 8 8 TYR HB2 H 3.035 0.010 . 55 8 8 TYR HD1 H 6.880 0.014 . 56 8 8 TYR HE1 H 6.667 0.015 . 57 8 8 TYR C C 177.996 0.010 . 58 8 8 TYR CA C 60.965 0.031 . 59 8 8 TYR CB C 38.223 0.010 . 60 8 8 TYR CD1 C 132.814 0.087 . 61 8 8 TYR CE1 C 118.107 0.042 . 62 8 8 TYR N N 117.575 0.100 . 63 9 9 TYR H H 8.262 0.017 . 64 9 9 TYR HA H 4.131 0.018 . 65 9 9 TYR HB2 H 3.079 0.017 . 66 9 9 TYR HD2 H 7.108 0.026 . 67 9 9 TYR HE2 H 6.675 0.016 . 68 9 9 TYR C C 178.111 0.010 . 69 9 9 TYR CA C 61.429 0.041 . 70 9 9 TYR CB C 38.322 0.010 . 71 9 9 TYR CD2 C 133.228 0.247 . 72 9 9 TYR CE2 C 117.920 0.251 . 73 9 9 TYR N N 119.102 0.116 . 74 10 10 GLY H H 8.395 0.010 . 75 10 10 GLY HA2 H 3.735 0.016 . 76 10 10 GLY C C 175.281 0.010 . 77 10 10 GLY CA C 47.308 0.160 . 78 10 10 GLY N N 105.758 0.125 . 79 11 11 LEU H H 8.496 0.016 . 80 11 11 LEU HA H 4.029 0.010 . 81 11 11 LEU HB2 H 1.909 0.011 . 82 11 11 LEU HD1 H 0.844 0.019 . 83 11 11 LEU C C 177.943 0.010 . 84 11 11 LEU CA C 58.259 0.043 . 85 11 11 LEU CB C 41.896 0.010 . 86 11 11 LEU CD1 C 24.989 0.030 . 87 11 11 LEU N N 121.046 0.126 . 88 12 12 ASN H H 7.867 0.017 . 89 12 12 ASN HA H 4.351 0.016 . 90 12 12 ASN HB2 H 2.675 0.018 . 91 12 12 ASN HB3 H 2.739 0.010 . 92 12 12 ASN HD21 H 6.787 0.017 . 93 12 12 ASN HD22 H 7.503 0.022 . 94 12 12 ASN C C 175.617 0.010 . 95 12 12 ASN CA C 56.044 0.022 . 96 12 12 ASN CB C 39.643 0.010 . 97 12 12 ASN N N 115.257 0.101 . 98 12 12 ASN ND2 N 112.194 0.014 . 99 13 13 LEU H H 7.405 0.018 . 100 13 13 LEU HA H 4.381 0.016 . 101 13 13 LEU HB2 H 1.646 0.017 . 102 13 13 LEU HD1 H 0.766 0.018 . 103 13 13 LEU HD2 H 0.849 0.012 . 104 13 13 LEU C C 177.603 0.010 . 105 13 13 LEU CA C 56.297 0.106 . 106 13 13 LEU CB C 42.221 0.010 . 107 13 13 LEU CD1 C 24.021 0.147 . 108 13 13 LEU CD2 C 25.149 0.111 . 109 13 13 LEU N N 115.485 0.144 . 110 14 14 LEU H H 8.152 0.011 . 111 14 14 LEU HA H 4.229 0.012 . 112 14 14 LEU HB2 H 1.554 0.017 . 113 14 14 LEU HD1 H 0.781 0.017 . 114 14 14 LEU CA C 56.314 0.091 . 115 14 14 LEU CB C 42.156 0.010 . 116 14 14 LEU CD1 C 25.101 0.063 . 117 14 14 LEU N N 121.588 0.063 . 118 15 15 ILE H H 8.053 0.011 . 119 15 15 ILE HA H 3.505 0.013 . 120 15 15 ILE HB H 1.813 0.011 . 121 15 15 ILE HG13 H 1.210 0.012 . 122 15 15 ILE HG2 H 0.860 0.019 . 123 15 15 ILE HD1 H 0.804 0.013 . 124 15 15 ILE CA C 65.938 0.023 . 125 15 15 ILE CB C 37.441 0.010 . 126 15 15 ILE CG1 C 28.214 0.010 . 127 15 15 ILE CG2 C 17.734 0.015 . 128 15 15 ILE CD1 C 13.263 0.144 . 129 15 15 ILE N N 124.062 0.128 . 130 16 16 PRO HA H 4.110 0.010 . 131 16 16 PRO HB3 H 1.817 0.018 . 132 16 16 PRO HD2 H 3.496 0.012 . 133 16 16 PRO C C 177.481 0.010 . 134 16 16 PRO CA C 66.636 0.038 . 135 16 16 PRO CB C 31.007 0.010 . 136 16 16 PRO CD C 50.352 0.010 . 137 17 17 CYS H H 7.212 0.010 . 138 17 17 CYS HA H 3.931 0.013 . 139 17 17 CYS HB2 H 3.165 0.018 . 140 17 17 CYS HB3 H 2.663 0.016 . 141 17 17 CYS C C 177.471 0.010 . 142 17 17 CYS CA C 64.467 0.092 . 143 17 17 CYS CB C 26.898 0.053 . 144 17 17 CYS N N 113.246 0.115 . 145 18 18 VAL H H 8.430 0.012 . 146 18 18 VAL HA H 3.549 0.013 . 147 18 18 VAL HB H 2.224 0.015 . 148 18 18 VAL HG1 H 1.047 0.019 . 149 18 18 VAL HG2 H 0.923 0.024 . 150 18 18 VAL CA C 66.975 0.018 . 151 18 18 VAL CB C 31.769 0.010 . 152 18 18 VAL CG1 C 23.516 0.049 . 153 18 18 VAL CG2 C 21.639 0.013 . 154 18 18 VAL N N 121.584 0.170 . 155 19 19 LEU H H 8.236 0.019 . 156 19 19 LEU HA H 3.958 0.019 . 157 19 19 LEU HB2 H 1.679 0.017 . 158 19 19 LEU HD1 H 0.835 0.010 . 159 19 19 LEU C C 178.109 0.010 . 160 19 19 LEU CA C 58.271 0.035 . 161 19 19 LEU CB C 41.971 0.010 . 162 19 19 LEU CD1 C 25.123 0.084 . 163 19 19 LEU N N 121.697 0.099 . 164 20 20 ILE H H 8.316 0.017 . 165 20 20 ILE HA H 3.617 0.018 . 166 20 20 ILE HB H 1.795 0.019 . 167 20 20 ILE HG2 H 0.796 0.018 . 168 20 20 ILE HD1 H 0.761 0.014 . 169 20 20 ILE C C 176.990 0.010 . 170 20 20 ILE CA C 65.162 0.043 . 171 20 20 ILE CB C 37.441 0.010 . 172 20 20 ILE CG2 C 17.544 0.145 . 173 20 20 ILE CD1 C 13.476 0.132 . 174 20 20 ILE N N 116.592 0.144 . 175 21 21 SER H H 7.764 0.010 . 176 21 21 SER HA H 4.054 0.010 . 177 21 21 SER C C 176.114 0.010 . 178 21 21 SER CA C 63.600 0.035 . 179 21 21 SER N N 115.835 0.066 . 180 22 22 ALA H H 8.242 0.013 . 181 22 22 ALA HA H 3.957 0.017 . 182 22 22 ALA HB H 1.417 0.016 . 183 22 22 ALA CA C 56.071 0.065 . 184 22 22 ALA CB C 18.245 0.084 . 185 22 22 ALA N N 122.587 0.058 . 186 23 23 LEU HA H 3.934 0.016 . 187 23 23 LEU CA C 58.245 0.024 . 188 24 24 ALA H H 8.324 0.018 . 189 24 24 ALA HA H 3.945 0.022 . 190 24 24 ALA HB H 1.451 0.011 . 191 24 24 ALA C C 178.759 0.010 . 192 24 24 ALA CA C 55.452 0.078 . 193 24 24 ALA CB C 18.309 0.133 . 194 24 24 ALA N N 119.601 0.109 . 195 25 25 LEU H H 8.063 0.010 . 196 25 25 LEU HA H 3.955 0.012 . 197 25 25 LEU HB2 H 1.777 0.013 . 198 25 25 LEU HD1 H 0.823 0.017 . 199 25 25 LEU C C 178.370 0.010 . 200 25 25 LEU CA C 58.173 0.059 . 201 25 25 LEU CB C 41.952 0.010 . 202 25 25 LEU CD1 C 25.299 0.265 . 203 25 25 LEU N N 116.470 0.144 . 204 26 26 LEU H H 8.096 0.015 . 205 26 26 LEU HA H 4.048 0.011 . 206 26 26 LEU HB2 H 1.853 0.014 . 207 26 26 LEU HD1 H 0.876 0.017 . 208 26 26 LEU C C 178.264 0.010 . 209 26 26 LEU CA C 58.232 0.020 . 210 26 26 LEU CB C 42.116 0.010 . 211 26 26 LEU CD1 C 25.021 0.012 . 212 26 26 LEU N N 112.846 0.116 . 213 27 27 VAL H H 7.901 0.011 . 214 27 27 VAL HA H 3.560 0.013 . 215 27 27 VAL HB H 2.184 0.014 . 216 27 27 VAL HG1 H 0.893 0.025 . 217 27 27 VAL HG2 H 0.669 0.018 . 218 27 27 VAL CA C 66.180 0.110 . 219 27 27 VAL CB C 31.662 0.010 . 220 27 27 VAL CG1 C 22.029 0.094 . 221 27 27 VAL CG2 C 21.850 0.150 . 222 27 27 VAL N N 114.825 0.148 . 223 28 28 PHE H H 7.951 0.018 . 224 28 28 PHE HA H 4.268 0.021 . 225 28 28 PHE HB2 H 3.130 0.015 . 226 28 28 PHE HD1 H 7.351 0.011 . 227 28 28 PHE HE1 H 7.156 0.010 . 228 28 28 PHE C C 176.498 0.010 . 229 28 28 PHE CA C 60.731 0.056 . 230 28 28 PHE CB C 38.365 0.010 . 231 28 28 PHE CD1 C 130.536 0.135 . 232 28 28 PHE N N 116.056 0.136 . 233 29 29 LEU H H 7.923 0.012 . 234 29 29 LEU HA H 4.335 0.022 . 235 29 29 LEU HB2 H 1.909 0.017 . 236 29 29 LEU HB3 H 1.479 0.017 . 237 29 29 LEU HD1 H 0.636 0.018 . 238 29 29 LEU HD2 H 0.856 0.015 . 239 29 29 LEU C C 176.971 0.010 . 240 29 29 LEU CA C 55.598 0.086 . 241 29 29 LEU CB C 41.956 0.017 . 242 29 29 LEU CD1 C 23.191 0.148 . 243 29 29 LEU CD2 C 24.913 0.106 . 244 29 29 LEU N N 116.753 0.081 . 245 30 30 LEU H H 7.463 0.010 . 246 30 30 LEU HA H 4.419 0.010 . 247 30 30 LEU HB2 H 1.962 0.022 . 248 30 30 LEU HD1 H 0.843 0.016 . 249 30 30 LEU CA C 54.251 0.010 . 250 30 30 LEU CB C 41.985 0.010 . 251 30 30 LEU CD1 C 24.310 0.162 . 252 30 30 LEU N N 119.945 0.092 . 253 31 31 PRO HA H 4.483 0.018 . 254 31 31 PRO HB3 H 1.993 0.015 . 255 31 31 PRO HD3 H 3.543 0.011 . 256 31 31 PRO C C 176.353 0.010 . 257 31 31 PRO CA C 63.133 0.047 . 258 31 31 PRO CB C 31.189 0.010 . 259 31 31 PRO CD C 50.397 0.010 . 260 32 32 ALA H H 8.195 0.019 . 261 32 32 ALA HA H 4.242 0.021 . 262 32 32 ALA HB H 1.350 0.017 . 263 32 32 ALA C C 177.196 0.010 . 264 32 32 ALA CA C 52.857 0.049 . 265 32 32 ALA CB C 19.335 0.122 . 266 32 32 ALA N N 123.652 0.106 . 267 33 33 ASP H H 8.239 0.015 . 268 33 33 ASP HA H 4.553 0.016 . 269 33 33 ASP HB2 H 2.793 0.015 . 270 33 33 ASP C C 176.625 0.010 . 271 33 33 ASP CA C 54.352 0.176 . 272 33 33 ASP CB C 41.214 0.010 . 273 33 33 ASP N N 118.001 0.090 . 274 34 34 SER H H 8.172 0.010 . 275 34 34 SER HA H 4.293 0.013 . 276 34 34 SER HB2 H 3.881 0.013 . 277 34 34 SER C C 175.478 0.010 . 278 34 34 SER CA C 60.288 0.065 . 279 34 34 SER CB C 63.500 0.010 . 280 34 34 SER N N 115.720 0.059 . 281 35 35 GLY H H 8.473 0.018 . 282 35 35 GLY HA2 H 3.822 0.010 . 283 35 35 GLY C C 175.245 0.010 . 284 35 35 GLY CA C 46.463 0.209 . 285 35 35 GLY N N 109.872 0.040 . 286 36 36 GLU H H 8.240 0.016 . 287 36 36 GLU HA H 4.185 0.018 . 288 36 36 GLU HB2 H 2.030 0.019 . 289 36 36 GLU CA C 58.361 0.153 . 290 36 36 GLU CB C 29.664 0.010 . 291 36 36 GLU N N 121.668 0.054 . 292 37 37 LYS H H 8.433 0.015 . 293 37 37 LYS HA H 3.934 0.012 . 294 37 37 LYS HB2 H 1.774 0.010 . 295 37 37 LYS HG2 H 1.428 0.010 . 296 37 37 LYS HD2 H 1.663 0.016 . 297 37 37 LYS HD3 H 1.663 0.016 . 298 37 37 LYS HE2 H 2.973 0.012 . 299 37 37 LYS HE3 H 2.973 0.012 . 300 37 37 LYS CA C 58.205 0.010 . 301 37 37 LYS CB C 31.843 0.010 . 302 37 37 LYS CG C 24.809 0.010 . 303 37 37 LYS CD C 29.208 0.010 . 304 37 37 LYS CE C 42.278 0.011 . 305 37 37 LYS N N 124.380 0.098 . 306 38 38 ILE H H 8.249 0.010 . 307 38 38 ILE HA H 3.696 0.010 . 308 38 38 ILE HB H 1.960 0.012 . 309 38 38 ILE HG2 H 0.894 0.013 . 310 38 38 ILE HD1 H 0.745 0.010 . 311 38 38 ILE CA C 64.800 0.161 . 312 38 38 ILE CB C 37.774 0.010 . 313 38 38 ILE CG2 C 18.020 0.010 . 314 38 38 ILE CD1 C 13.235 0.010 . 315 38 38 ILE N N 116.747 0.010 . 316 39 39 SER H H 8.136 0.010 . 317 39 39 SER HA H 4.027 0.015 . 318 39 39 SER C C 176.123 0.010 . 319 39 39 SER CA C 63.514 0.090 . 320 39 39 SER N N 115.805 0.010 . 321 40 40 LEU H H 8.228 0.018 . 322 40 40 LEU HA H 3.966 0.023 . 323 40 40 LEU HB2 H 1.772 0.015 . 324 40 40 LEU HD1 H 0.857 0.013 . 325 40 40 LEU C C 178.392 0.010 . 326 40 40 LEU CA C 58.256 0.029 . 327 40 40 LEU CB C 41.909 0.010 . 328 40 40 LEU CD1 C 25.260 0.010 . 329 40 40 LEU N N 121.327 0.015 . 330 41 41 GLY H H 8.482 0.015 . 331 41 41 GLY HA2 H 3.678 0.022 . 332 41 41 GLY CA C 48.005 0.167 . 333 41 41 GLY N N 107.044 0.131 . 334 42 42 ILE HA H 3.661 0.010 . 335 42 42 ILE CA C 65.217 0.034 . 336 43 43 THR H H 8.011 0.015 . 337 43 43 THR HA H 3.625 0.030 . 338 43 43 THR HB H 4.255 0.010 . 339 43 43 THR HG2 H 1.120 0.011 . 340 43 43 THR C C 175.995 0.010 . 341 43 43 THR CA C 68.666 0.087 . 342 43 43 THR CG2 C 21.868 0.016 . 343 43 43 THR N N 117.322 0.084 . 344 44 44 VAL H H 8.278 0.019 . 345 44 44 VAL HA H 3.569 0.016 . 346 44 44 VAL HB H 2.172 0.012 . 347 44 44 VAL HG1 H 0.990 0.011 . 348 44 44 VAL HG2 H 0.892 0.010 . 349 44 44 VAL C C 178.191 0.010 . 350 44 44 VAL CA C 67.248 0.083 . 351 44 44 VAL CB C 31.576 0.010 . 352 44 44 VAL CG1 C 23.346 0.012 . 353 44 44 VAL CG2 C 21.538 0.088 . 354 44 44 VAL N N 123.833 0.052 . 355 45 45 LEU H H 8.038 0.012 . 356 45 45 LEU HA H 4.048 0.018 . 357 45 45 LEU HB2 H 1.780 0.014 . 358 45 45 LEU HD1 H 0.825 0.018 . 359 45 45 LEU C C 180.075 0.010 . 360 45 45 LEU CA C 58.717 0.025 . 361 45 45 LEU CB C 41.974 0.010 . 362 45 45 LEU CD1 C 25.074 0.036 . 363 45 45 LEU N N 118.865 0.094 . 364 46 46 LEU H H 8.887 0.010 . 365 46 46 LEU HA H 3.982 0.012 . 366 46 46 LEU HB2 H 1.757 0.015 . 367 46 46 LEU HB3 H 1.512 0.014 . 368 46 46 LEU HD1 H 0.864 0.016 . 369 46 46 LEU C C 178.433 0.010 . 370 46 46 LEU CA C 58.396 0.101 . 371 46 46 LEU CB C 41.968 0.017 . 372 46 46 LEU CD1 C 24.989 0.030 . 373 46 46 LEU N N 120.099 0.116 . 374 47 47 SER H H 8.128 0.017 . 375 47 47 SER HA H 4.046 0.010 . 376 47 47 SER HB2 H 3.966 0.018 . 377 47 47 SER CA C 63.653 0.067 . 378 47 47 SER CB C 63.274 0.010 . 379 47 47 SER N N 115.346 0.129 . 380 48 48 LEU HA H 3.956 0.012 . 381 48 48 LEU HB2 H 1.753 0.014 . 382 48 48 LEU HD1 H 0.821 0.017 . 383 48 48 LEU C C 178.008 0.010 . 384 48 48 LEU CA C 58.397 0.052 . 385 48 48 LEU CB C 41.888 0.010 . 386 48 48 LEU CD1 C 24.766 0.226 . 387 49 49 THR H H 8.267 0.017 . 388 49 49 THR HA H 3.725 0.024 . 389 49 49 THR HG2 H 1.134 0.015 . 390 49 49 THR C C 175.952 0.010 . 391 49 49 THR CA C 68.782 0.068 . 392 49 49 THR CG2 C 21.999 0.112 . 393 49 49 THR N N 115.799 0.105 . 394 50 50 VAL H H 8.178 0.012 . 395 50 50 VAL HA H 3.511 0.015 . 396 50 50 VAL HB H 2.191 0.013 . 397 50 50 VAL HG1 H 0.962 0.017 . 398 50 50 VAL HG2 H 0.835 0.010 . 399 50 50 VAL C C 177.285 0.010 . 400 50 50 VAL CA C 67.360 0.051 . 401 50 50 VAL CB C 31.662 0.010 . 402 50 50 VAL CG1 C 22.689 0.095 . 403 50 50 VAL CG2 C 21.327 0.023 . 404 50 50 VAL N N 118.667 0.080 . 405 51 51 PHE H H 8.255 0.011 . 406 51 51 PHE HA H 4.150 0.010 . 407 51 51 PHE HD1 H 7.356 0.012 . 408 51 51 PHE C C 177.051 0.010 . 409 51 51 PHE CA C 61.907 0.042 . 410 51 51 PHE CD1 C 130.626 0.062 . 411 51 51 PHE N N 118.529 0.064 . 412 52 52 MET H H 8.408 0.011 . 413 52 52 MET HA H 4.128 0.012 . 414 52 52 MET HB2 H 1.979 0.017 . 415 52 52 MET HG2 H 2.600 0.014 . 416 52 52 MET HG3 H 2.397 0.010 . 417 52 52 MET HE H 1.979 0.010 . 418 52 52 MET C C 178.115 0.010 . 419 52 52 MET CA C 58.882 0.064 . 420 52 52 MET CB C 31.930 0.010 . 421 52 52 MET CG C 33.329 0.071 . 422 52 52 MET CE C 17.395 0.010 . 423 52 52 MET N N 116.331 0.083 . 424 53 53 LEU H H 8.099 0.013 . 425 53 53 LEU HA H 3.975 0.010 . 426 53 53 LEU HB2 H 1.855 0.012 . 427 53 53 LEU HD1 H 0.818 0.016 . 428 53 53 LEU C C 178.244 0.010 . 429 53 53 LEU CA C 58.144 0.018 . 430 53 53 LEU CB C 42.116 0.010 . 431 53 53 LEU CD1 C 24.968 0.051 . 432 53 53 LEU N N 119.984 0.113 . 433 54 54 LEU H H 8.040 0.016 . 434 54 54 LEU HA H 3.978 0.023 . 435 54 54 LEU HB2 H 1.846 0.013 . 436 54 54 LEU HD1 H 0.796 0.014 . 437 54 54 LEU C C 178.026 0.010 . 438 54 54 LEU CA C 58.259 0.050 . 439 54 54 LEU CB C 42.116 0.010 . 440 54 54 LEU CD1 C 24.527 0.015 . 441 54 54 LEU N N 118.145 0.096 . 442 55 55 VAL H H 8.061 0.017 . 443 55 55 VAL HA H 3.422 0.030 . 444 55 55 VAL HB H 1.956 0.019 . 445 55 55 VAL HG1 H 0.942 0.021 . 446 55 55 VAL HG2 H 0.768 0.016 . 447 55 55 VAL C C 177.370 0.010 . 448 55 55 VAL CA C 66.793 0.043 . 449 55 55 VAL CB C 31.930 0.010 . 450 55 55 VAL CG1 C 22.671 0.062 . 451 55 55 VAL CG2 C 22.265 0.245 . 452 55 55 VAL N N 117.236 0.059 . 453 56 56 ALA H H 7.961 0.016 . 454 56 56 ALA HA H 3.953 0.018 . 455 56 56 ALA HB H 1.449 0.010 . 456 56 56 ALA C C 178.769 0.010 . 457 56 56 ALA CA C 54.712 0.043 . 458 56 56 ALA CB C 18.659 0.059 . 459 56 56 ALA N N 119.488 0.043 . 460 57 57 GLU H H 7.618 0.010 . 461 57 57 GLU HA H 4.263 0.011 . 462 57 57 GLU HB2 H 2.086 0.010 . 463 57 57 GLU HG2 H 2.211 0.010 . 464 57 57 GLU C C 177.300 0.010 . 465 57 57 GLU CA C 57.203 0.056 . 466 57 57 GLU CB C 29.578 0.010 . 467 57 57 GLU CG C 36.039 0.010 . 468 57 57 GLU N N 113.390 0.108 . 469 58 58 ILE H H 7.676 0.011 . 470 58 58 ILE HA H 4.176 0.017 . 471 58 58 ILE HB H 1.907 0.015 . 472 58 58 ILE HG13 H 1.316 0.025 . 473 58 58 ILE HG2 H 0.913 0.013 . 474 58 58 ILE HD1 H 0.781 0.015 . 475 58 58 ILE C C 175.556 0.010 . 476 58 58 ILE CA C 61.911 0.066 . 477 58 58 ILE CB C 38.515 0.010 . 478 58 58 ILE CG1 C 28.268 0.010 . 479 58 58 ILE CG2 C 18.203 0.031 . 480 58 58 ILE CD1 C 13.652 0.265 . 481 58 58 ILE N N 113.877 0.096 . 482 59 59 MET H H 7.640 0.015 . 483 59 59 MET HA H 4.567 0.014 . 484 59 59 MET HB2 H 2.018 0.018 . 485 59 59 MET HG2 H 2.564 0.018 . 486 59 59 MET HE H 1.979 0.010 . 487 59 59 MET CA C 54.317 0.042 . 488 59 59 MET CB C 33.005 0.010 . 489 59 59 MET CG C 32.806 0.010 . 490 59 59 MET CE C 17.395 0.010 . 491 59 59 MET N N 120.029 0.103 . 492 60 60 PRO HA H 4.465 0.010 . 493 60 60 PRO HB2 H 2.287 0.014 . 494 60 60 PRO HB3 H 1.909 0.017 . 495 60 60 PRO HD3 H 3.609 0.015 . 496 60 60 PRO C C 176.874 0.010 . 497 60 60 PRO CA C 63.525 0.028 . 498 60 60 PRO CB C 31.232 0.011 . 499 60 60 PRO CD C 50.595 0.010 . 500 61 61 SER H H 8.313 0.017 . 501 61 61 SER HA H 4.476 0.020 . 502 61 61 SER HB2 H 3.870 0.010 . 503 61 61 SER C C 174.979 0.010 . 504 61 61 SER CA C 58.527 0.022 . 505 61 61 SER CB C 63.554 0.010 . 506 61 61 SER N N 115.199 0.048 . 507 62 62 THR H H 8.023 0.015 . 508 62 62 THR HA H 4.407 0.013 . 509 62 62 THR HG2 H 1.177 0.017 . 510 62 62 THR C C 174.765 0.010 . 511 62 62 THR CA C 61.995 0.048 . 512 62 62 THR CG2 C 21.888 0.028 . 513 62 62 THR N N 114.342 0.163 . 514 63 63 SER H H 8.190 0.016 . 515 63 63 SER HA H 4.404 0.012 . 516 63 63 SER HB2 H 3.848 0.010 . 517 63 63 SER C C 174.351 0.010 . 518 63 63 SER CA C 58.748 0.079 . 519 63 63 SER CB C 63.992 0.010 . 520 63 63 SER N N 116.548 0.063 . 521 64 64 ASP H H 8.166 0.014 . 522 64 64 ASP HA H 4.504 0.015 . 523 64 64 ASP HB2 H 2.684 0.020 . 524 64 64 ASP C C 176.016 0.010 . 525 64 64 ASP CA C 54.587 0.045 . 526 64 64 ASP CB C 41.293 0.010 . 527 64 64 ASP N N 121.604 0.052 . 528 65 65 SER H H 8.022 0.014 . 529 65 65 SER HA H 4.429 0.016 . 530 65 65 SER HB2 H 3.861 0.012 . 531 65 65 SER C C 174.398 0.010 . 532 65 65 SER CA C 58.612 0.030 . 533 65 65 SER CB C 63.992 0.010 . 534 65 65 SER N N 114.720 0.127 . 535 66 66 SER H H 8.149 0.019 . 536 66 66 SER HA H 4.684 0.016 . 537 66 66 SER HB2 H 3.889 0.015 . 538 66 66 SER CA C 57.401 0.019 . 539 66 66 SER CB C 64.027 0.010 . 540 66 66 SER N N 117.939 0.104 . 541 67 67 PRO HA H 4.373 0.010 . 542 67 67 PRO HB3 H 2.183 0.010 . 543 67 67 PRO HD2 H 3.486 0.010 . 544 67 67 PRO HD3 H 3.567 0.012 . 545 67 67 PRO C C 177.094 0.010 . 546 67 67 PRO CA C 63.920 0.046 . 547 67 67 PRO CB C 31.275 0.010 . 548 67 67 PRO CD C 50.427 0.010 . 549 68 68 SER H H 8.083 0.015 . 550 68 68 SER HA H 4.437 0.010 . 551 68 68 SER HB2 H 3.872 0.011 . 552 68 68 SER C C 175.206 0.010 . 553 68 68 SER CA C 58.830 0.016 . 554 68 68 SER CB C 63.768 0.010 . 555 68 68 SER N N 115.315 0.152 . 556 69 69 ILE H H 8.452 0.018 . 557 69 69 ILE HA H 3.947 0.018 . 558 69 69 ILE HB H 1.933 0.015 . 559 69 69 ILE HG12 H 1.652 0.013 . 560 69 69 ILE HG13 H 1.280 0.015 . 561 69 69 ILE HG2 H 0.953 0.017 . 562 69 69 ILE HD1 H 0.910 0.019 . 563 69 69 ILE C C 177.493 0.010 . 564 69 69 ILE CA C 64.525 0.019 . 565 69 69 ILE CB C 37.602 0.010 . 566 69 69 ILE CG1 C 28.483 0.075 . 567 69 69 ILE CG2 C 17.843 0.122 . 568 69 69 ILE CD1 C 13.365 0.049 . 569 69 69 ILE N N 122.021 0.058 . 570 70 70 ALA H H 8.286 0.019 . 571 70 70 ALA HA H 3.964 0.020 . 572 70 70 ALA HB H 1.409 0.019 . 573 70 70 ALA C C 179.564 0.010 . 574 70 70 ALA CA C 55.603 0.090 . 575 70 70 ALA CB C 18.255 0.074 . 576 70 70 ALA N N 122.217 0.160 . 577 71 71 GLN H H 7.934 0.014 . 578 71 71 GLN HA H 3.954 0.016 . 579 71 71 GLN HB2 H 2.188 0.012 . 580 71 71 GLN HG2 H 2.262 0.025 . 581 71 71 GLN HG3 H 2.262 0.025 . 582 71 71 GLN HE21 H 6.729 0.014 . 583 71 71 GLN HE22 H 7.399 0.013 . 584 71 71 GLN CA C 59.229 0.059 . 585 71 71 GLN CB C 28.648 0.010 . 586 71 71 GLN CG C 34.336 0.010 . 587 71 71 GLN N N 116.578 0.118 . 588 71 71 GLN NE2 N 111.637 0.017 . 589 72 72 TYR H H 8.240 0.019 . 590 72 72 TYR HA H 4.191 0.011 . 591 72 72 TYR HB2 H 3.292 0.017 . 592 72 72 TYR HB3 H 3.045 0.014 . 593 72 72 TYR HD2 H 7.115 0.018 . 594 72 72 TYR HE2 H 6.778 0.013 . 595 72 72 TYR C C 179.414 0.010 . 596 72 72 TYR CA C 61.653 0.093 . 597 72 72 TYR CB C 38.376 0.021 . 598 72 72 TYR CD2 C 133.253 0.137 . 599 72 72 TYR CE2 C 118.199 0.035 . 600 72 72 TYR N N 120.219 0.187 . 601 73 73 PHE H H 8.366 0.014 . 602 73 73 PHE HA H 4.168 0.014 . 603 73 73 PHE HB2 H 3.086 0.014 . 604 73 73 PHE HD2 H 7.000 0.020 . 605 73 73 PHE HE2 H 7.003 0.031 . 606 73 73 PHE C C 177.647 0.010 . 607 73 73 PHE CA C 61.315 0.076 . 608 73 73 PHE CB C 38.365 0.010 . 609 73 73 PHE CD2 C 131.232 0.014 . 610 73 73 PHE N N 118.274 0.049 . 611 74 74 ALA H H 8.576 0.012 . 612 74 74 ALA HA H 3.861 0.010 . 613 74 74 ALA HB H 1.508 0.019 . 614 74 74 ALA C C 179.197 0.010 . 615 74 74 ALA CA C 55.902 0.075 . 616 74 74 ALA CB C 18.689 0.134 . 617 74 74 ALA N N 121.474 0.106 . 618 75 75 SER H H 8.232 0.019 . 619 75 75 SER HA H 4.009 0.019 . 620 75 75 SER CA C 63.448 0.055 . 621 75 75 SER N N 111.824 0.103 . 622 76 76 THR H H 8.184 0.011 . 623 76 76 THR HA H 3.444 0.019 . 624 76 76 THR HG2 H 1.116 0.017 . 625 76 76 THR C C 176.476 0.010 . 626 76 76 THR CA C 67.971 0.035 . 627 76 76 THR CG2 C 21.907 0.034 . 628 76 76 THR N N 115.733 0.064 . 629 77 77 MET H H 8.169 0.018 . 630 77 77 MET HA H 4.054 0.016 . 631 77 77 MET HB2 H 1.946 0.019 . 632 77 77 MET HG2 H 2.532 0.011 . 633 77 77 MET HG3 H 2.644 0.020 . 634 77 77 MET CA C 59.326 0.015 . 635 77 77 MET CB C 31.995 0.010 . 636 77 77 MET CG C 33.269 0.036 . 637 77 77 MET N N 119.747 0.056 . 638 78 78 ILE H H 8.203 0.018 . 639 78 78 ILE HA H 3.478 0.019 . 640 78 78 ILE HB H 1.833 0.010 . 641 78 78 ILE HG2 H 0.812 0.011 . 642 78 78 ILE HD1 H 0.704 0.018 . 643 78 78 ILE CA C 65.845 0.083 . 644 78 78 ILE CB C 37.387 0.010 . 645 78 78 ILE CG2 C 17.679 0.070 . 646 78 78 ILE CD1 C 13.127 0.158 . 647 78 78 ILE N N 119.328 0.012 . 648 79 79 ILE H H 8.162 0.016 . 649 79 79 ILE HA H 3.686 0.016 . 650 79 79 ILE HB H 1.853 0.010 . 651 79 79 ILE HG2 H 0.839 0.016 . 652 79 79 ILE HD1 H 0.832 0.016 . 653 79 79 ILE C C 178.115 0.010 . 654 79 79 ILE CA C 66.007 0.024 . 655 79 79 ILE CB C 37.386 0.010 . 656 79 79 ILE CG2 C 17.724 0.012 . 657 79 79 ILE CD1 C 13.330 0.076 . 658 79 79 ILE N N 119.686 0.043 . 659 80 80 VAL H H 8.425 0.019 . 660 80 80 VAL HA H 3.675 0.013 . 661 80 80 VAL HB H 2.322 0.012 . 662 80 80 VAL HG1 H 1.023 0.020 . 663 80 80 VAL HG2 H 0.945 0.018 . 664 80 80 VAL CA C 67.149 0.041 . 665 80 80 VAL CB C 31.511 0.010 . 666 80 80 VAL CG1 C 23.355 0.234 . 667 80 80 VAL CG2 C 22.133 0.023 . 668 80 80 VAL N N 118.126 0.060 . 669 81 81 GLY H H 8.672 0.011 . 670 81 81 GLY HA2 H 3.621 0.019 . 671 81 81 GLY C C 174.948 0.010 . 672 81 81 GLY CA C 48.004 0.151 . 673 81 81 GLY N N 107.212 0.073 . 674 82 82 LEU H H 8.692 0.019 . 675 82 82 LEU HA H 4.027 0.010 . 676 82 82 LEU HB2 H 1.603 0.014 . 677 82 82 LEU HD1 H 0.795 0.013 . 678 82 82 LEU C C 178.413 0.010 . 679 82 82 LEU CA C 58.221 0.013 . 680 82 82 LEU CB C 42.275 0.010 . 681 82 82 LEU CD1 C 25.125 0.087 . 682 82 82 LEU N N 120.130 0.160 . 683 83 83 SER H H 8.132 0.017 . 684 83 83 SER HA H 4.034 0.010 . 685 83 83 SER CA C 63.693 0.011 . 686 83 83 SER N N 115.749 0.079 . 687 84 84 VAL H H 8.689 0.018 . 688 84 84 VAL HA H 3.558 0.013 . 689 84 84 VAL HG1 H 1.056 0.016 . 690 84 84 VAL CA C 67.677 0.078 . 691 84 84 VAL CG1 C 23.488 0.010 . 692 84 84 VAL N N 121.493 0.075 . 693 85 85 VAL H H 8.454 0.018 . 694 85 85 VAL HA H 3.441 0.010 . 695 85 85 VAL HB H 2.214 0.013 . 696 85 85 VAL HG1 H 1.004 0.018 . 697 85 85 VAL HG2 H 0.872 0.010 . 698 85 85 VAL C C 177.476 0.010 . 699 85 85 VAL CA C 67.544 0.060 . 700 85 85 VAL CB C 31.383 0.010 . 701 85 85 VAL CG1 C 23.378 0.033 . 702 85 85 VAL CG2 C 21.606 0.020 . 703 85 85 VAL N N 116.720 0.021 . 704 86 86 VAL H H 7.899 0.019 . 705 86 86 VAL HA H 3.358 0.017 . 706 86 86 VAL HB H 2.215 0.012 . 707 86 86 VAL HG1 H 1.012 0.010 . 708 86 86 VAL HG2 H 0.913 0.013 . 709 86 86 VAL C C 177.915 0.010 . 710 86 86 VAL CA C 67.618 0.055 . 711 86 86 VAL CB C 31.823 0.010 . 712 86 86 VAL CG1 C 23.395 0.050 . 713 86 86 VAL CG2 C 21.708 0.082 . 714 86 86 VAL N N 118.694 0.061 . 715 87 87 THR H H 7.771 0.010 . 716 87 87 THR HA H 3.614 0.018 . 717 87 87 THR HG2 H 1.074 0.011 . 718 87 87 THR C C 175.144 0.010 . 719 87 87 THR CA C 68.841 0.261 . 720 87 87 THR CG2 C 21.454 0.039 . 721 87 87 THR N N 115.939 0.084 . 722 88 88 VAL H H 8.106 0.012 . 723 88 88 VAL HA H 3.510 0.019 . 724 88 88 VAL HB H 2.133 0.012 . 725 88 88 VAL HG1 H 1.010 0.015 . 726 88 88 VAL HG2 H 0.938 0.014 . 727 88 88 VAL C C 177.125 0.010 . 728 88 88 VAL CA C 67.571 0.087 . 729 88 88 VAL CB C 31.587 0.010 . 730 88 88 VAL CG1 C 23.537 0.028 . 731 88 88 VAL CG2 C 22.002 0.100 . 732 88 88 VAL N N 119.727 0.142 . 733 89 89 ILE H H 8.406 0.013 . 734 89 89 ILE HA H 3.971 0.017 . 735 89 89 ILE HB H 1.917 0.014 . 736 89 89 ILE HG13 H 1.300 0.017 . 737 89 89 ILE HG2 H 0.878 0.010 . 738 89 89 ILE C C 177.874 0.010 . 739 89 89 ILE CA C 64.454 0.012 . 740 89 89 ILE CB C 37.881 0.010 . 741 89 89 ILE CG1 C 28.321 0.010 . 742 89 89 ILE CG2 C 17.815 0.066 . 743 89 89 ILE N N 119.106 0.081 . 744 90 90 VAL H H 8.144 0.014 . 745 90 90 VAL HA H 3.825 0.018 . 746 90 90 VAL HG2 H 0.897 0.015 . 747 90 90 VAL CA C 64.469 0.076 . 748 90 90 VAL CG2 C 21.526 0.100 . 749 90 90 VAL N N 118.919 0.128 . 750 91 91 LEU H H 8.103 0.013 . 751 91 91 LEU HA H 4.276 0.013 . 752 91 91 LEU HB2 H 1.847 0.019 . 753 91 91 LEU HD1 H 0.826 0.018 . 754 91 91 LEU CA C 56.450 0.014 . 755 91 91 LEU CB C 42.156 0.010 . 756 91 91 LEU CD1 C 24.602 0.067 . 757 91 91 LEU N N 120.214 0.076 . 758 92 92 GLN HA H 4.218 0.010 . 759 92 92 GLN HB2 H 2.123 0.010 . 760 92 92 GLN HG2 H 2.340 0.010 . 761 92 92 GLN HG3 H 2.340 0.010 . 762 92 92 GLN HE21 H 6.577 0.013 . 763 92 92 GLN HE22 H 7.121 0.014 . 764 92 92 GLN C C 175.901 0.010 . 765 92 92 GLN CA C 57.581 0.064 . 766 92 92 GLN CB C 29.610 0.010 . 767 92 92 GLN CG C 34.006 0.010 . 768 92 92 GLN NE2 N 109.806 0.021 . 769 93 93 TYR H H 8.100 0.016 . 770 93 93 TYR HA H 4.349 0.016 . 771 93 93 TYR HB2 H 2.718 0.016 . 772 93 93 TYR HB3 H 2.806 0.017 . 773 93 93 TYR HD2 H 6.966 0.020 . 774 93 93 TYR HE2 H 6.700 0.013 . 775 93 93 TYR C C 176.629 0.010 . 776 93 93 TYR CA C 59.972 0.017 . 777 93 93 TYR CB C 39.004 0.017 . 778 93 93 TYR CD2 C 133.192 0.098 . 779 93 93 TYR CE2 C 118.131 0.054 . 780 93 93 TYR N N 119.718 0.114 . 781 94 94 HIS H H 8.060 0.019 . 782 94 94 HIS HA H 4.572 0.015 . 783 94 94 HIS HB2 H 3.135 0.010 . 784 94 94 HIS HB3 H 3.065 0.019 . 785 94 94 HIS CA C 56.222 0.059 . 786 94 94 HIS CB C 29.778 0.014 . 787 94 94 HIS N N 122.371 0.070 . 788 95 95 HIS H H 8.232 0.016 . 789 95 95 HIS HA H 4.550 0.014 . 790 95 95 HIS HB2 H 3.129 0.016 . 791 95 95 HIS HB3 H 3.069 0.011 . 792 95 95 HIS CA C 56.096 0.040 . 793 95 95 HIS CB C 29.769 0.014 . 794 95 95 HIS N N 121.349 0.021 . 795 96 96 HIS HA H 4.558 0.013 . 796 96 96 HIS HB2 H 3.131 0.015 . 797 96 96 HIS HB3 H 3.077 0.016 . 798 96 96 HIS C C 173.576 0.010 . 799 96 96 HIS CA C 55.461 0.035 . 800 96 96 HIS CB C 29.778 0.014 . 801 97 97 ASP H H 8.285 0.012 . 802 97 97 ASP HA H 4.826 0.017 . 803 97 97 ASP HB2 H 2.464 0.011 . 804 97 97 ASP HB3 H 2.701 0.010 . 805 97 97 ASP CA C 52.867 0.177 . 806 97 97 ASP CB C 41.132 0.030 . 807 97 97 ASP N N 123.696 0.116 . 808 98 98 PRO HA H 4.370 0.016 . 809 98 98 PRO HB3 H 1.952 0.016 . 810 98 98 PRO HD3 H 3.736 0.016 . 811 98 98 PRO C C 176.796 0.010 . 812 98 98 PRO CA C 64.012 0.071 . 813 98 98 PRO CB C 31.823 0.010 . 814 98 98 PRO CD C 50.637 0.010 . 815 99 99 ASP H H 8.259 0.015 . 816 99 99 ASP HA H 4.601 0.012 . 817 99 99 ASP HB2 H 2.683 0.018 . 818 99 99 ASP C C 176.763 0.010 . 819 99 99 ASP CA C 54.341 0.027 . 820 99 99 ASP CB C 41.050 0.242 . 821 99 99 ASP N N 119.137 0.049 . 822 100 100 GLY H H 8.155 0.015 . 823 100 100 GLY HA2 H 3.914 0.012 . 824 100 100 GLY C C 175.056 0.010 . 825 100 100 GLY CA C 45.867 0.121 . 826 100 100 GLY N N 108.744 0.057 . 827 101 101 GLY H H 8.317 0.017 . 828 101 101 GLY HA2 H 3.942 0.017 . 829 101 101 GLY C C 174.526 0.010 . 830 101 101 GLY CA C 45.784 0.149 . 831 101 101 GLY N N 108.800 0.107 . 832 102 102 GLU H H 8.355 0.016 . 833 102 102 GLU HA H 4.295 0.012 . 834 102 102 GLU HB2 H 1.938 0.019 . 835 102 102 GLU HG2 H 2.250 0.016 . 836 102 102 GLU C C 177.160 0.010 . 837 102 102 GLU CA C 56.936 0.051 . 838 102 102 GLU CB C 30.003 0.010 . 839 102 102 GLU CG C 36.854 0.010 . 840 102 102 GLU N N 120.334 0.046 . 841 103 103 GLY H H 8.446 0.019 . 842 103 103 GLY HA2 H 3.954 0.015 . 843 103 103 GLY C C 174.905 0.010 . 844 103 103 GLY CA C 45.673 0.129 . 845 103 103 GLY N N 109.395 0.046 . 846 104 104 GLY H H 8.235 0.016 . 847 104 104 GLY HA2 H 3.953 0.016 . 848 104 104 GLY C C 174.905 0.010 . 849 104 104 GLY CA C 45.641 0.160 . 850 104 104 GLY N N 108.542 0.037 . 851 105 105 GLY H H 8.235 0.016 . 852 105 105 GLY HA2 H 3.947 0.019 . 853 105 105 GLY C C 174.526 0.010 . 854 105 105 GLY CA C 45.653 0.145 . 855 105 105 GLY N N 108.542 0.037 . 856 106 106 GLU H H 8.380 0.013 . 857 106 106 GLU HA H 4.251 0.014 . 858 106 106 GLU HB2 H 2.038 0.017 . 859 106 106 GLU HG2 H 2.308 0.016 . 860 106 106 GLU C C 177.363 0.010 . 861 106 106 GLU CA C 57.441 0.051 . 862 106 106 GLU CB C 29.610 0.010 . 863 106 106 GLU CG C 36.549 0.010 . 864 106 106 GLU N N 120.310 0.046 . 865 107 107 GLY H H 8.317 0.017 . 866 107 107 GLY HA2 H 3.915 0.019 . 867 107 107 GLY C C 175.755 0.010 . 868 107 107 GLY CA C 46.427 0.182 . 869 107 107 GLY N N 108.339 0.120 . 870 108 108 ILE H H 8.099 0.014 . 871 108 108 ILE HA H 3.949 0.015 . 872 108 108 ILE HB H 1.886 0.012 . 873 108 108 ILE HG2 H 0.831 0.016 . 874 108 108 ILE HD1 H 0.824 0.017 . 875 108 108 ILE C C 176.816 0.010 . 876 108 108 ILE CA C 65.522 0.131 . 877 108 108 ILE CB C 37.484 0.010 . 878 108 108 ILE CG2 C 17.777 0.028 . 879 108 108 ILE CD1 C 13.384 0.013 . 880 108 108 ILE N N 120.595 0.020 . 881 109 109 ASP H H 8.234 0.018 . 882 109 109 ASP HA H 4.317 0.012 . 883 109 109 ASP HB2 H 2.598 0.014 . 884 109 109 ASP C C 176.972 0.010 . 885 109 109 ASP CA C 57.157 0.050 . 886 109 109 ASP CB C 39.868 0.010 . 887 109 109 ASP N N 121.592 0.093 . 888 110 110 ARG H H 7.788 0.017 . 889 110 110 ARG HA H 4.014 0.016 . 890 110 110 ARG HB2 H 2.091 0.015 . 891 110 110 ARG HG3 H 1.604 0.010 . 892 110 110 ARG HD2 H 3.167 0.015 . 893 110 110 ARG HD3 H 3.167 0.015 . 894 110 110 ARG C C 176.625 0.010 . 895 110 110 ARG CA C 59.739 0.037 . 896 110 110 ARG CB C 30.115 0.010 . 897 110 110 ARG CG C 27.190 0.106 . 898 110 110 ARG CD C 43.504 0.016 . 899 110 110 ARG N N 118.062 0.122 . 900 111 111 LEU H H 7.966 0.013 . 901 111 111 LEU HA H 3.941 0.015 . 902 111 111 LEU HB2 H 1.773 0.011 . 903 111 111 LEU HD1 H 0.898 0.012 . 904 111 111 LEU CA C 58.442 0.043 . 905 111 111 LEU CB C 41.974 0.010 . 906 111 111 LEU CD1 C 25.177 0.158 . 907 111 111 LEU N N 120.157 0.077 . 908 112 112 CYS H H 8.405 0.015 . 909 112 112 CYS HA H 4.047 0.013 . 910 112 112 CYS HB2 H 3.175 0.011 . 911 112 112 CYS HB3 H 2.614 0.010 . 912 112 112 CYS C C 177.817 0.010 . 913 112 112 CYS CA C 64.614 0.030 . 914 112 112 CYS CB C 27.053 0.108 . 915 112 112 CYS N N 116.886 0.107 . 916 113 113 LEU H H 8.165 0.011 . 917 113 113 LEU HA H 4.059 0.015 . 918 113 113 LEU HB2 H 1.716 0.011 . 919 113 113 LEU HD1 H 0.881 0.010 . 920 113 113 LEU C C 179.889 0.010 . 921 113 113 LEU CA C 58.510 0.056 . 922 113 113 LEU CB C 41.909 0.010 . 923 113 113 LEU CD1 C 25.164 0.105 . 924 113 113 LEU N N 119.564 0.126 . 925 114 114 MET H H 8.487 0.017 . 926 114 114 MET HA H 4.058 0.017 . 927 114 114 MET HB2 H 1.929 0.013 . 928 114 114 MET HG2 H 2.765 0.016 . 929 114 114 MET C C 178.998 0.010 . 930 114 114 MET CA C 59.512 0.063 . 931 114 114 MET CB C 31.952 0.010 . 932 114 114 MET CG C 33.424 0.010 . 933 114 114 MET N N 120.780 0.024 . 934 115 115 ALA H H 8.650 0.010 . 935 115 115 ALA HA H 3.991 0.028 . 936 115 115 ALA HB H 1.411 0.014 . 937 115 115 ALA C C 177.967 0.010 . 938 115 115 ALA CA C 55.595 0.094 . 939 115 115 ALA CB C 18.239 0.090 . 940 115 115 ALA N N 121.292 0.080 . 941 116 116 PHE H H 8.643 0.016 . 942 116 116 PHE HA H 4.160 0.011 . 943 116 116 PHE HB2 H 3.150 0.013 . 944 116 116 PHE HD2 H 7.226 0.012 . 945 116 116 PHE HE2 H 7.170 0.025 . 946 116 116 PHE C C 178.156 0.010 . 947 116 116 PHE CA C 61.427 0.011 . 948 116 116 PHE CB C 38.386 0.010 . 949 116 116 PHE CD2 C 131.239 0.136 . 950 116 116 PHE CE2 C 130.442 0.010 . 951 116 116 PHE N N 116.448 0.075 . 952 117 117 SER H H 7.820 0.013 . 953 117 117 SER HA H 4.106 0.010 . 954 117 117 SER HB2 H 3.943 0.010 . 955 117 117 SER HB3 H 3.943 0.010 . 956 117 117 SER C C 176.592 0.010 . 957 117 117 SER CA C 63.216 0.186 . 958 117 117 SER N N 117.735 0.069 . 959 118 118 VAL H H 8.564 0.015 . 960 118 118 VAL HA H 3.589 0.022 . 961 118 118 VAL HB H 2.228 0.017 . 962 118 118 VAL HG1 H 0.974 0.018 . 963 118 118 VAL HG2 H 0.875 0.010 . 964 118 118 VAL C C 178.998 0.010 . 965 118 118 VAL CA C 67.572 0.012 . 966 118 118 VAL CB C 31.791 0.010 . 967 118 118 VAL CG1 C 23.341 0.014 . 968 118 118 VAL CG2 C 21.719 0.093 . 969 118 118 VAL N N 123.351 0.175 . 970 119 119 PHE H H 8.683 0.013 . 971 119 119 PHE HA H 4.031 0.019 . 972 119 119 PHE HB2 H 3.205 0.015 . 973 119 119 PHE HD2 H 7.161 0.017 . 974 119 119 PHE HE2 H 7.127 0.010 . 975 119 119 PHE CA C 61.672 0.054 . 976 119 119 PHE CB C 38.397 0.010 . 977 119 119 PHE CD2 C 131.354 0.010 . 978 119 119 PHE CE2 C 130.661 0.132 . 979 119 119 PHE N N 121.439 0.117 . 980 120 120 THR HA H 3.727 0.010 . 981 120 120 THR HG2 H 1.116 0.014 . 982 120 120 THR C C 176.743 0.010 . 983 120 120 THR CA C 68.301 0.010 . 984 120 120 THR CG2 C 21.958 0.109 . 985 121 121 ILE H H 8.021 0.017 . 986 121 121 ILE HA H 3.587 0.011 . 987 121 121 ILE HB H 1.874 0.017 . 988 121 121 ILE HG2 H 0.848 0.010 . 989 121 121 ILE C C 176.625 0.010 . 990 121 121 ILE CA C 65.501 0.018 . 991 121 121 ILE CB C 37.452 0.010 . 992 121 121 ILE CG2 C 17.773 0.010 . 993 121 121 ILE N N 118.724 0.010 . 994 122 122 ILE H H 7.894 0.010 . 995 122 122 ILE HA H 3.620 0.013 . 996 122 122 ILE HB H 1.814 0.018 . 997 122 122 ILE HG13 H 1.290 0.018 . 998 122 122 ILE HG2 H 0.837 0.014 . 999 122 122 ILE HD1 H 0.768 0.015 . 1000 122 122 ILE C C 177.540 0.010 . 1001 122 122 ILE CA C 65.522 0.012 . 1002 122 122 ILE CB C 37.441 0.010 . 1003 122 122 ILE CG1 C 28.257 0.010 . 1004 122 122 ILE CG2 C 17.802 0.046 . 1005 122 122 ILE CD1 C 13.448 0.061 . 1006 122 122 ILE N N 119.435 0.128 . 1007 123 123 CYS H H 8.206 0.016 . 1008 123 123 CYS HA H 3.885 0.018 . 1009 123 123 CYS HB2 H 2.593 0.012 . 1010 123 123 CYS C C 177.425 0.010 . 1011 123 123 CYS CA C 64.121 0.075 . 1012 123 123 CYS CB C 26.940 0.010 . 1013 123 123 CYS N N 116.809 0.085 . 1014 124 124 THR H H 7.901 0.010 . 1015 124 124 THR HA H 3.710 0.010 . 1016 124 124 THR HB H 4.199 0.010 . 1017 124 124 THR HG2 H 1.063 0.019 . 1018 124 124 THR CA C 68.236 0.050 . 1019 124 124 THR CG2 C 21.459 0.176 . 1020 124 124 THR N N 115.712 0.139 . 1021 125 125 ILE H H 7.939 0.018 . 1022 125 125 ILE HA H 3.717 0.023 . 1023 125 125 ILE HB H 1.941 0.017 . 1024 125 125 ILE HG2 H 0.870 0.016 . 1025 125 125 ILE HD1 H 0.790 0.012 . 1026 125 125 ILE CA C 65.759 0.121 . 1027 125 125 ILE CB C 37.623 0.010 . 1028 125 125 ILE CG2 C 17.874 0.017 . 1029 125 125 ILE CD1 C 13.453 0.066 . 1030 125 125 ILE N N 118.755 0.089 . 1031 126 126 GLY H H 8.383 0.019 . 1032 126 126 GLY HA2 H 3.615 0.012 . 1033 126 126 GLY C C 175.794 0.010 . 1034 126 126 GLY CA C 46.427 0.182 . 1035 126 126 GLY N N 105.948 0.128 . 1036 127 127 ILE H H 8.095 0.017 . 1037 127 127 ILE HA H 3.959 0.014 . 1038 127 127 ILE HB H 1.970 0.018 . 1039 127 127 ILE HG13 H 1.226 0.010 . 1040 127 127 ILE HG2 H 0.877 0.019 . 1041 127 127 ILE HD1 H 0.810 0.014 . 1042 127 127 ILE C C 177.090 0.010 . 1043 127 127 ILE CA C 63.120 0.046 . 1044 127 127 ILE CB C 37.742 0.010 . 1045 127 127 ILE CG2 C 17.997 0.236 . 1046 127 127 ILE CD1 C 13.427 0.028 . 1047 127 127 ILE N N 120.859 0.063 . 1048 128 128 LEU H H 8.373 0.016 . 1049 128 128 LEU HA H 4.118 0.017 . 1050 128 128 LEU HB2 H 1.781 0.014 . 1051 128 128 LEU HD1 H 0.891 0.025 . 1052 128 128 LEU C C 178.269 0.010 . 1053 128 128 LEU CA C 57.521 0.045 . 1054 128 128 LEU CB C 42.130 0.010 . 1055 128 128 LEU CD1 C 25.112 0.094 . 1056 128 128 LEU N N 122.601 0.142 . 1057 129 129 MET H H 7.992 0.011 . 1058 129 129 MET HA H 4.117 0.012 . 1059 129 129 MET HB2 H 2.049 0.017 . 1060 129 129 MET HG2 H 2.547 0.013 . 1061 129 129 MET HG3 H 2.416 0.010 . 1062 129 129 MET HE H 1.972 0.017 . 1063 129 129 MET C C 176.393 0.010 . 1064 129 129 MET CA C 57.183 0.112 . 1065 129 129 MET CG C 33.041 0.285 . 1066 129 129 MET CE C 17.395 0.010 . 1067 129 129 MET N N 116.856 0.054 . 1068 130 130 SER H H 7.511 0.017 . 1069 130 130 SER HA H 4.407 0.011 . 1070 130 130 SER HB2 H 3.855 0.018 . 1071 130 130 SER C C 173.598 0.010 . 1072 130 130 SER CA C 59.453 0.065 . 1073 130 130 SER CB C 63.992 0.010 . 1074 130 130 SER N N 112.314 0.076 . 1075 131 131 ALA H H 7.704 0.016 . 1076 131 131 ALA HA H 4.471 0.010 . 1077 131 131 ALA HB H 1.319 0.017 . 1078 131 131 ALA CA C 51.231 0.105 . 1079 131 131 ALA CB C 18.419 0.014 . 1080 131 131 ALA N N 124.666 0.066 . 1081 132 132 PRO HA H 4.401 0.020 . 1082 132 132 PRO HB3 H 1.857 0.011 . 1083 132 132 PRO HD3 H 3.686 0.014 . 1084 132 132 PRO C C 176.530 0.010 . 1085 132 132 PRO CA C 64.164 0.070 . 1086 132 132 PRO CB C 31.192 0.010 . 1087 132 132 PRO CD C 50.599 0.010 . 1088 133 133 ASN H H 8.180 0.018 . 1089 133 133 ASN HA H 4.534 0.012 . 1090 133 133 ASN HB2 H 2.685 0.016 . 1091 133 133 ASN HB3 H 2.753 0.012 . 1092 133 133 ASN HD21 H 6.807 0.015 . 1093 133 133 ASN HD22 H 7.476 0.017 . 1094 133 133 ASN C C 175.456 0.010 . 1095 133 133 ASN CA C 54.058 0.025 . 1096 133 133 ASN CB C 38.435 0.011 . 1097 133 133 ASN N N 114.774 0.047 . 1098 133 133 ASN ND2 N 112.190 0.043 . 1099 134 134 PHE H H 7.953 0.017 . 1100 134 134 PHE HA H 4.538 0.019 . 1101 134 134 PHE HB2 H 3.128 0.014 . 1102 134 134 PHE HD1 H 7.192 0.015 . 1103 134 134 PHE C C 175.080 0.010 . 1104 134 134 PHE CA C 58.653 0.016 . 1105 134 134 PHE CB C 39.594 0.010 . 1106 134 134 PHE CD1 C 131.432 0.078 . 1107 134 134 PHE N N 118.679 0.091 . 1108 135 135 VAL H H 7.556 0.016 . 1109 135 135 VAL HA H 4.063 0.016 . 1110 135 135 VAL HB H 2.099 0.014 . 1111 135 135 VAL HG1 H 0.861 0.015 . 1112 135 135 VAL HG2 H 0.850 0.015 . 1113 135 135 VAL C C 174.837 0.010 . 1114 135 135 VAL CA C 62.330 0.028 . 1115 135 135 VAL CB C 32.947 0.010 . 1116 135 135 VAL CG1 C 21.743 0.101 . 1117 135 135 VAL CG2 C 20.955 0.084 . 1118 135 135 VAL N N 115.300 0.054 . 1119 136 136 GLU H H 7.851 0.016 . 1120 136 136 GLU HA H 4.281 0.016 . 1121 136 136 GLU HB2 H 1.921 0.013 . 1122 136 136 GLU HG2 H 2.218 0.010 . 1123 136 136 GLU C C 174.971 0.010 . 1124 136 136 GLU CA C 56.302 0.045 . 1125 136 136 GLU CB C 29.836 0.010 . 1126 136 136 GLU CG C 36.855 0.010 . 1127 136 136 GLU N N 121.084 0.082 . 1128 137 137 GLU H H 7.679 0.015 . 1129 137 137 GLU HA H 4.083 0.013 . 1130 137 137 GLU HB2 H 1.898 0.020 . 1131 137 137 GLU HG2 H 2.226 0.019 . 1132 137 137 GLU CA C 57.784 0.078 . 1133 137 137 GLU CB C 29.681 0.010 . 1134 137 137 GLU CG C 36.854 0.010 . 1135 137 137 GLU N N 124.929 0.080 . stop_ save_