data_16672 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; NMR structures of TM domain of the n-Acetylcholine receptor b2 subunit ; _BMRB_accession_number 16672 _BMRB_flat_file_name bmr16672.str _Entry_type original _Submission_date 2010-01-12 _Accession_date 2010-01-12 _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 Tillman Tommy . . 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" 750 "13C chemical shifts" 458 "15N chemical shifts" 134 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2010-08-12 update BMRB 'Complete entry citation' 2010-05-18 original author 'original release' stop_ save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title 'NMR structure of the transmembrane domain of the n-acetylcholine receptor beta2 subunit.' _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 20441771 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Bondarenko Vasyl . . 2 Tillman Tommy . . 3 Xu Yan . . 4 Tang Pei . . stop_ _Journal_abbreviation 'Biochim. Biophys. Acta' _Journal_name_full 'Biochimica et biophysica acta' _Journal_volume 1798 _Journal_issue 8 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 1608 _Page_last 1614 _Year 2010 _Details . save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name 'transmembrane domain of the n-acetylcholine receptor beta2 subunit' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label entity $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 'transmembrane domain of the n-acetylcholine receptor beta2 subunit' _Molecular_mass 18456.0 _Mol_thiol_state 'all free' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 164 _Mol_residue_sequence ; MHHHHHHSTSVDLGTENLYF QSNARRKPLFYTINLIIPCV LITSLAILVFYLPSDCGEKM TLCISVLLALTVFLLLISKI VPPTSLDVPLVGKYLMFTMV LVTFSIVTSVCVLNVHHRSP TTHTPRGGGGYVAMVIDRLF LWIFVFVCVFGTIGMFLQPL FQNY ; loop_ _Residue_seq_code _Residue_label 1 MET 2 HIS 3 HIS 4 HIS 5 HIS 6 HIS 7 HIS 8 SER 9 THR 10 SER 11 VAL 12 ASP 13 LEU 14 GLY 15 THR 16 GLU 17 ASN 18 LEU 19 TYR 20 PHE 21 GLN 22 SER 23 ASN 24 ALA 25 ARG 26 ARG 27 LYS 28 PRO 29 LEU 30 PHE 31 TYR 32 THR 33 ILE 34 ASN 35 LEU 36 ILE 37 ILE 38 PRO 39 CYS 40 VAL 41 LEU 42 ILE 43 THR 44 SER 45 LEU 46 ALA 47 ILE 48 LEU 49 VAL 50 PHE 51 TYR 52 LEU 53 PRO 54 SER 55 ASP 56 CYS 57 GLY 58 GLU 59 LYS 60 MET 61 THR 62 LEU 63 CYS 64 ILE 65 SER 66 VAL 67 LEU 68 LEU 69 ALA 70 LEU 71 THR 72 VAL 73 PHE 74 LEU 75 LEU 76 LEU 77 ILE 78 SER 79 LYS 80 ILE 81 VAL 82 PRO 83 PRO 84 THR 85 SER 86 LEU 87 ASP 88 VAL 89 PRO 90 LEU 91 VAL 92 GLY 93 LYS 94 TYR 95 LEU 96 MET 97 PHE 98 THR 99 MET 100 VAL 101 LEU 102 VAL 103 THR 104 PHE 105 SER 106 ILE 107 VAL 108 THR 109 SER 110 VAL 111 CYS 112 VAL 113 LEU 114 ASN 115 VAL 116 HIS 117 HIS 118 ARG 119 SER 120 PRO 121 THR 122 THR 123 HIS 124 THR 125 PRO 126 ARG 127 GLY 128 GLY 129 GLY 130 GLY 131 TYR 132 VAL 133 ALA 134 MET 135 VAL 136 ILE 137 ASP 138 ARG 139 LEU 140 PHE 141 LEU 142 TRP 143 ILE 144 PHE 145 VAL 146 PHE 147 VAL 148 CYS 149 VAL 150 PHE 151 GLY 152 THR 153 ILE 154 GLY 155 MET 156 PHE 157 LEU 158 GLN 159 PRO 160 LEU 161 PHE 162 GLN 163 ASN 164 TYR stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2015-07-22 loop_ _Database_name _Database_accession_code _Database_entry_mol_name _Sequence_query_to_submitted_percentage _Sequence_subject_length _Sequence_identity _Sequence_positive _Sequence_homology_expectation_value PDB 2KSR "Nmr Structures Of Tm Domain Of The N-Acetylcholine Receptor B2 Subunit" 99.39 164 100.00 100.00 7.52e-112 EMBL CAB53256 "nicotinic acetylcholine receptor subunit beta4 [Macaca mulatta]" 57.93 192 97.89 100.00 3.76e-54 GB AAM34453 "nicotinic acetylcholine receptor beta 2 subunit [Bos taurus]" 60.98 251 100.00 100.00 3.70e-58 GB ELK02820 "Neuronal acetylcholine receptor subunit beta-2 [Pteropus alecto]" 60.98 454 99.00 100.00 7.59e-57 GB ELK27604 "Neuronal acetylcholine receptor subunit beta-4 [Myotis davidii]" 60.98 300 97.00 100.00 7.23e-57 GB KFQ65111 "hypothetical protein N334_02710, partial [Pelecanus crispus]" 60.98 403 97.00 100.00 2.67e-56 REF XP_005628186 "PREDICTED: neuronal acetylcholine receptor subunit beta-4 isoform X1 [Canis lupus familiaris]" 60.98 515 97.00 100.00 4.20e-55 REF XP_005628187 "PREDICTED: neuronal acetylcholine receptor subunit beta-4 isoform X2 [Canis lupus familiaris]" 60.98 508 97.00 100.00 3.24e-55 REF XP_006767267 "PREDICTED: neuronal acetylcholine receptor subunit beta-4 [Myotis davidii]" 60.98 313 97.00 100.00 1.69e-56 REF XP_007662125 "PREDICTED: neuronal acetylcholine receptor subunit beta-2-like, partial [Ornithorhynchus anatinus]" 60.98 265 97.00 98.00 2.00e-56 REF XP_007885008 "PREDICTED: neuronal acetylcholine receptor subunit beta-2-like, partial [Callorhinchus milii]" 60.98 473 97.00 100.00 8.99e-56 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 . pTBSG1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Saveframe_category sample _Sample_type solution _Details 'TM123 of n-AChR b2 subunit' loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $entity 0.2 mM '[U-100% 13C; U-100% 15N]' HFIP 50 % 'natural abundance' H2O 50 % 'natural abundance' stop_ save_ save_sample_2 _Saveframe_category sample _Sample_type solution _Details 'TM1234 of n-AChR b2 subunit' loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $entity 0.2 mM '[U-100% 13C; U-100% 15N]' HFIP 50 % 'natural abundance' H2O 50 % 'natural abundance' stop_ save_ ############################ # Computer software used # ############################ save_CYANA _Saveframe_category software _Name CYANA _Version 2.1 loop_ _Vendor _Address _Electronic_address 'Guntert, Mumenthaler and Wuthrich' . . stop_ loop_ _Task 'chemical shift assignment' refinement 'structure solution' stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _Field_strength 900 _Details . save_ save_spectrometer_2 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _Field_strength 800 _Details . save_ save_spectrometer_3 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _Field_strength 700 _Details . save_ save_spectrometer_4 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _Field_strength 600 _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_HN(CO)CA_3 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HN(CO)CA' _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_HNCO_5 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCO' _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_ save_2D_1H-1H_NOESY_8 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-1H NOESY' _Sample_label $sample_1 save_ save_3D_CBCA(CO)NH_9 _Saveframe_category NMR_applied_experiment _Experiment_name '3D CBCA(CO)NH' _Sample_label $sample_1 save_ save_2D_1H-15N_HSQC_10 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N HSQC' _Sample_label $sample_2 save_ save_2D_1H-13C_HSQC_11 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-13C HSQC' _Sample_label $sample_2 save_ save_3D_HNCA_12 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCA' _Sample_label $sample_2 save_ save_3D_1H-15N_NOESY_13 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-15N NOESY' _Sample_label $sample_2 save_ save_3D_1H-13C_NOESY_14 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-13C NOESY' _Sample_label $sample_2 save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units pH 3.8 . pH pressure 1 . atm temperature 313 . 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 _Indirect_shift_ratio_citation_label _Correction_value_citation_label DSS C 13 'methyl protons' ppm 0.00 internal indirect . . . 0.25144953 $entry_citation $entry_citation DSS H 1 'methyl protons' ppm 0.00 internal direct . . . 1.000000000 $entry_citation $entry_citation DSS N 15 'methyl protons' ppm 0.00 internal indirect . . . 0.101329118 $entry_citation $entry_citation 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 1H-15N NOESY' '3D 1H-13C NOESY' stop_ loop_ _Sample_label $sample_1 $sample_2 stop_ _Sample_conditions_label $sample_conditions_1 _Chem_shift_reference_set_label $chemical_shift_reference_1 _Mol_system_component_name entity _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 25 25 ARG H H 7.577 0.007 1 2 25 25 ARG HA H 4.177 0.006 1 3 25 25 ARG HB2 H 1.976 0.009 2 4 25 25 ARG HB3 H 1.839 0.006 2 5 25 25 ARG HD2 H 3.177 0.017 2 6 25 25 ARG HD3 H 3.177 0.017 2 7 25 25 ARG HG2 H 1.692 0.008 2 8 25 25 ARG HG3 H 1.692 0.008 2 9 25 25 ARG CA C 57.263 0.000 1 10 25 25 ARG CB C 30.164 0.018 1 11 25 25 ARG CD C 43.364 0.150 1 12 25 25 ARG CG C 27.006 0.004 1 13 25 25 ARG N N 113.563 0.071 1 14 26 26 ARG H H 7.479 0.009 1 15 26 26 ARG HA H 4.330 0.005 1 16 26 26 ARG HB2 H 1.974 0.012 2 17 26 26 ARG HB3 H 1.925 0.007 2 18 26 26 ARG HD2 H 3.179 0.015 2 19 26 26 ARG HD3 H 3.179 0.015 2 20 26 26 ARG HG2 H 1.694 0.012 2 21 26 26 ARG HG3 H 1.694 0.012 2 22 26 26 ARG CA C 56.991 0.001 1 23 26 26 ARG CB C 30.489 0.062 1 24 26 26 ARG CD C 43.242 0.150 1 25 26 26 ARG CG C 27.017 0.150 1 26 26 26 ARG N N 117.116 0.133 1 27 27 27 LYS H H 7.678 0.012 1 28 27 27 LYS HA H 4.495 0.011 1 29 27 27 LYS HB3 H 1.865 0.008 2 30 27 27 LYS HD2 H 1.678 0.012 2 31 27 27 LYS HD3 H 1.678 0.012 2 32 27 27 LYS HE2 H 2.985 0.006 2 33 27 27 LYS HE3 H 2.985 0.006 2 34 27 27 LYS HG2 H 1.577 0.001 2 35 27 27 LYS HG3 H 1.456 0.008 2 36 27 27 LYS CA C 57.159 0.150 1 37 27 27 LYS CB C 31.969 0.003 1 38 27 27 LYS CD C 29.226 0.016 1 39 27 27 LYS CE C 42.356 0.019 1 40 27 27 LYS CG C 24.975 0.066 1 41 27 27 LYS N N 119.639 0.086 1 42 28 28 PRO HA H 4.445 0.012 1 43 28 28 PRO HB2 H 2.320 0.006 2 44 28 28 PRO HB3 H 1.839 0.008 2 45 28 28 PRO HD2 H 3.770 0.004 2 46 28 28 PRO HD3 H 3.665 0.013 2 47 28 28 PRO HG2 H 2.057 0.010 2 48 28 28 PRO CA C 64.577 0.020 1 49 28 28 PRO CB C 30.982 0.027 1 50 28 28 PRO CD C 50.218 0.112 1 51 28 28 PRO CG C 27.204 0.150 1 52 29 29 LEU H H 7.346 0.013 1 53 29 29 LEU HA H 4.225 0.010 1 54 29 29 LEU HB2 H 1.687 0.007 2 55 29 29 LEU HD1 H 0.948 0.004 2 56 29 29 LEU HG H 1.675 0.002 1 57 29 29 LEU CA C 57.911 0.150 1 58 29 29 LEU CB C 42.143 0.023 1 59 29 29 LEU CD1 C 23.926 0.150 2 60 29 29 LEU CG C 27.304 0.020 1 61 29 29 LEU N N 119.453 0.042 1 62 30 30 PHE H H 7.665 0.019 1 63 30 30 PHE HA H 4.290 0.009 1 64 30 30 PHE HB2 H 3.150 0.005 2 65 30 30 PHE HD1 H 7.034 0.004 3 66 30 30 PHE HD2 H 7.034 0.004 3 67 30 30 PHE CA C 60.387 0.015 1 68 30 30 PHE CB C 38.959 0.049 1 69 30 30 PHE CD1 C 67.406 0.150 3 70 30 30 PHE N N 116.954 0.059 1 71 31 31 TYR H H 7.995 0.010 1 72 31 31 TYR HA H 4.331 0.012 1 73 31 31 TYR HB2 H 3.180 0.014 2 74 31 31 TYR HB3 H 3.090 0.006 2 75 31 31 TYR HD1 H 7.188 0.007 3 76 31 31 TYR HD2 H 7.188 0.007 3 77 31 31 TYR HE1 H 6.883 0.009 3 78 31 31 TYR HE2 H 6.883 0.009 3 79 31 31 TYR CA C 60.515 0.036 1 80 31 31 TYR CB C 38.289 0.084 1 81 31 31 TYR CD1 C 68.516 0.137 3 82 31 31 TYR CE1 C 54.341 0.122 3 83 31 31 TYR N N 118.164 0.051 1 84 32 32 THR H H 7.863 0.012 1 85 32 32 THR HA H 4.090 0.010 1 86 32 32 THR HB H 4.455 0.012 1 87 32 32 THR HG2 H 1.321 0.005 1 88 32 32 THR CA C 65.944 0.008 1 89 32 32 THR CB C 69.361 0.001 1 90 32 32 THR CG2 C 20.658 0.150 1 91 32 32 THR N N 113.797 0.085 1 92 33 33 ILE H H 8.065 0.018 1 93 33 33 ILE HA H 3.956 0.010 1 94 33 33 ILE HB H 1.912 0.008 1 95 33 33 ILE HD1 H 0.914 0.013 1 96 33 33 ILE HG12 H 1.655 0.017 2 97 33 33 ILE HG13 H 1.316 0.011 2 98 33 33 ILE HG2 H 0.952 0.009 1 99 33 33 ILE CA C 64.155 0.040 1 100 33 33 ILE CB C 38.265 0.020 1 101 33 33 ILE CD1 C 11.849 0.041 1 102 33 33 ILE CG1 C 28.383 0.094 1 103 33 33 ILE CG2 C 16.596 0.124 1 104 33 33 ILE N N 119.929 0.022 1 105 34 34 ASN H H 7.564 0.010 1 106 34 34 ASN HA H 4.500 0.008 1 107 34 34 ASN HB2 H 2.637 0.009 2 108 34 34 ASN HD21 H 6.810 0.018 2 109 34 34 ASN HD22 H 5.740 0.018 2 110 34 34 ASN CA C 55.723 0.150 1 111 34 34 ASN CB C 39.025 0.114 1 112 34 34 ASN N N 115.047 0.091 1 113 34 34 ASN ND2 N 110.423 0.874 1 114 35 35 LEU H H 7.719 0.007 1 115 35 35 LEU HA H 4.491 0.003 1 116 35 35 LEU HB2 H 1.890 0.003 2 117 35 35 LEU HB3 H 1.706 0.011 2 118 35 35 LEU HD1 H 0.928 0.007 2 119 35 35 LEU HG H 1.716 0.013 1 120 35 35 LEU CA C 56.394 0.150 1 121 35 35 LEU CB C 43.004 0.062 1 122 35 35 LEU CD1 C 23.337 0.270 2 123 35 35 LEU CG C 27.028 0.004 1 124 35 35 LEU N N 118.242 0.057 1 125 36 36 ILE H H 7.755 0.014 1 126 36 36 ILE HA H 4.121 0.014 1 127 36 36 ILE HB H 2.067 0.005 1 128 36 36 ILE HD1 H 0.900 0.005 1 129 36 36 ILE HG12 H 1.668 0.010 2 130 36 36 ILE HG13 H 1.327 0.008 2 131 36 36 ILE HG2 H 0.979 0.011 1 132 36 36 ILE CA C 63.494 0.041 1 133 36 36 ILE CB C 39.004 0.016 1 134 36 36 ILE CD1 C 11.802 0.094 1 135 36 36 ILE CG1 C 27.848 0.052 1 136 36 36 ILE CG2 C 16.637 0.103 1 137 36 36 ILE N N 117.756 0.024 1 138 37 37 ILE H H 7.867 0.020 1 139 37 37 ILE HA H 4.040 0.008 1 140 37 37 ILE HB H 2.114 0.006 1 141 37 37 ILE HD1 H 0.916 0.016 1 142 37 37 ILE HG12 H 1.732 0.004 2 143 37 37 ILE HG13 H 1.316 0.007 2 144 37 37 ILE HG2 H 0.962 0.007 1 145 37 37 ILE CA C 64.855 0.150 1 146 37 37 ILE CB C 35.891 0.022 1 147 37 37 ILE CD1 C 11.891 0.051 1 148 37 37 ILE CG1 C 29.035 0.001 1 149 37 37 ILE CG2 C 16.673 0.058 1 150 37 37 ILE N N 119.644 0.075 1 151 38 38 PRO HA H 4.299 0.009 1 152 38 38 PRO HB2 H 2.325 0.002 2 153 38 38 PRO HB3 H 1.934 0.007 2 154 38 38 PRO HD2 H 3.704 0.001 2 155 38 38 PRO HD3 H 3.567 0.012 2 156 38 38 PRO HG2 H 2.030 0.002 2 157 38 38 PRO CA C 66.436 0.019 1 158 38 38 PRO CB C 30.332 0.063 1 159 38 38 PRO CD C 50.103 0.200 1 160 38 38 PRO CG C 27.429 0.013 1 161 39 39 CYS H H 7.327 0.007 1 162 39 39 CYS HA H 4.173 0.013 1 163 39 39 CYS HB2 H 3.221 0.007 2 164 39 39 CYS HB3 H 3.031 0.010 2 165 39 39 CYS CA C 62.512 0.150 1 166 39 39 CYS CB C 26.286 0.167 1 167 39 39 CYS N N 113.090 0.086 1 168 40 40 VAL H H 8.276 0.015 1 169 40 40 VAL HA H 3.671 0.010 1 170 40 40 VAL HB H 2.340 0.013 1 171 40 40 VAL HG1 H 1.076 0.005 2 172 40 40 VAL HG2 H 0.963 0.014 2 173 40 40 VAL CA C 66.631 0.150 1 174 40 40 VAL CB C 31.351 0.049 1 175 40 40 VAL CG1 C 21.227 0.057 2 176 40 40 VAL CG2 C 20.325 0.150 2 177 40 40 VAL N N 123.042 0.044 1 178 41 41 LEU H H 8.381 0.011 1 179 41 41 LEU HA H 4.089 0.006 1 180 41 41 LEU HB2 H 1.879 0.002 2 181 41 41 LEU HD1 H 0.934 0.003 2 182 41 41 LEU HG H 1.739 0.014 1 183 41 41 LEU CA C 58.847 0.150 1 184 41 41 LEU CB C 41.813 0.028 1 185 41 41 LEU CD1 C 23.880 0.008 2 186 41 41 LEU CG C 26.921 0.046 1 187 41 41 LEU N N 122.533 0.069 1 188 42 42 ILE H H 8.514 0.016 1 189 42 42 ILE HA H 3.879 0.009 1 190 42 42 ILE HB H 1.961 0.006 1 191 42 42 ILE HD1 H 0.911 0.012 1 192 42 42 ILE HG12 H 1.783 0.006 2 193 42 42 ILE HG13 H 1.317 0.008 2 194 42 42 ILE HG2 H 1.020 0.002 1 195 42 42 ILE CA C 65.163 0.150 1 196 42 42 ILE CB C 38.050 0.018 1 197 42 42 ILE CD1 C 11.786 0.071 1 198 42 42 ILE CG1 C 29.043 0.049 1 199 42 42 ILE CG2 C 16.565 0.088 1 200 42 42 ILE N N 118.062 0.017 1 201 43 43 THR H H 7.953 0.013 1 202 43 43 THR HA H 4.027 0.008 1 203 43 43 THR HB H 4.336 0.007 1 204 43 43 THR HG2 H 1.367 0.003 1 205 43 43 THR CA C 66.698 0.150 1 206 43 43 THR CB C 69.384 0.118 1 207 43 43 THR CG2 C 20.593 0.075 1 208 43 43 THR N N 113.326 0.075 1 209 44 44 SER H H 8.053 0.014 1 210 44 44 SER HA H 4.282 0.011 1 211 44 44 SER HB2 H 3.967 0.002 2 212 44 44 SER CA C 62.388 0.008 1 213 44 44 SER CB C 62.886 0.008 1 214 44 44 SER N N 115.973 0.062 1 215 45 45 LEU H H 7.994 0.009 1 216 45 45 LEU HA H 4.257 0.008 1 217 45 45 LEU HB2 H 1.925 0.014 2 218 45 45 LEU HB3 H 1.702 0.010 2 219 45 45 LEU HD1 H 0.943 0.013 2 220 45 45 LEU HG H 1.702 0.007 1 221 45 45 LEU CA C 57.637 0.150 1 222 45 45 LEU CB C 41.975 0.150 1 223 45 45 LEU CD1 C 23.814 0.220 2 224 45 45 LEU CG C 27.037 0.028 1 225 45 45 LEU N N 122.748 0.062 1 226 46 46 ALA H H 8.187 0.010 1 227 46 46 ALA HA H 4.134 0.012 1 228 46 46 ALA HB H 1.647 0.010 1 229 46 46 ALA CA C 55.469 0.125 1 230 46 46 ALA CB C 17.507 0.022 1 231 46 46 ALA N N 120.404 0.073 1 232 47 47 ILE H H 7.952 0.015 1 233 47 47 ILE HA H 4.025 0.012 1 234 47 47 ILE HB H 2.145 0.004 1 235 47 47 ILE HD1 H 0.911 0.009 1 236 47 47 ILE HG12 H 1.879 0.008 2 237 47 47 ILE HG13 H 1.280 0.005 2 238 47 47 ILE HG2 H 1.066 0.002 1 239 47 47 ILE CA C 64.535 0.150 1 240 47 47 ILE CB C 38.313 0.032 1 241 47 47 ILE CD1 C 12.066 0.077 1 242 47 47 ILE CG1 C 28.592 0.019 1 243 47 47 ILE CG2 C 16.975 0.143 1 244 47 47 ILE N N 116.797 0.158 1 245 48 48 LEU H H 7.867 0.012 1 246 48 48 LEU HA H 4.248 0.007 1 247 48 48 LEU HB2 H 2.000 0.002 2 248 48 48 LEU HB3 H 1.833 0.004 2 249 48 48 LEU HD1 H 0.951 0.006 2 250 48 48 LEU HG H 1.861 0.001 1 251 48 48 LEU CA C 58.104 0.150 1 252 48 48 LEU CB C 42.320 0.082 1 253 48 48 LEU CD1 C 23.863 0.137 2 254 48 48 LEU CG C 26.873 0.150 1 255 48 48 LEU N N 119.669 0.028 1 256 49 49 VAL H H 8.342 0.019 1 257 49 49 VAL HA H 3.813 0.012 1 258 49 49 VAL HB H 2.024 0.009 1 259 49 49 VAL HG1 H 0.657 0.006 2 260 49 49 VAL HG2 H 0.965 0.011 2 261 49 49 VAL CA C 65.376 0.042 1 262 49 49 VAL CB C 32.058 0.006 1 263 49 49 VAL CG1 C 20.374 0.095 2 264 49 49 VAL CG2 C 20.439 0.094 2 265 49 49 VAL N N 115.295 0.057 1 266 50 50 PHE H H 8.050 0.014 1 267 50 50 PHE HA H 4.577 0.006 1 268 50 50 PHE HB2 H 3.118 0.010 2 269 50 50 PHE HD1 H 7.112 0.008 3 270 50 50 PHE HD2 H 7.112 0.008 3 271 50 50 PHE HE1 H 7.253 0.010 3 272 50 50 PHE HE2 H 7.253 0.010 3 273 50 50 PHE CA C 60.247 0.150 1 274 50 50 PHE CB C 39.700 0.121 1 275 50 50 PHE CD1 C 67.232 0.150 3 276 50 50 PHE N N 117.196 0.046 1 277 51 51 TYR H H 8.244 0.013 1 278 51 51 TYR HA H 4.488 0.006 1 279 51 51 TYR HB2 H 3.339 0.011 2 280 51 51 TYR HB3 H 3.159 0.010 2 281 51 51 TYR HD1 H 7.258 0.006 3 282 51 51 TYR HD2 H 7.258 0.006 3 283 51 51 TYR HE1 H 6.865 0.008 3 284 51 51 TYR HE2 H 6.865 0.008 3 285 51 51 TYR CA C 60.453 0.150 1 286 51 51 TYR CB C 39.255 0.086 1 287 51 51 TYR CD1 C 68.927 0.150 3 288 51 51 TYR CE1 C 54.171 0.150 3 289 51 51 TYR N N 118.612 0.118 1 290 52 52 LEU H H 8.201 0.027 1 291 52 52 LEU HA H 4.472 0.012 1 292 52 52 LEU HB2 H 1.874 0.010 2 293 52 52 LEU HD1 H 0.949 0.010 2 294 52 52 LEU CA C 56.906 0.150 1 295 52 52 LEU N N 119.465 0.200 1 296 53 53 PRO HA H 4.437 0.010 1 297 53 53 PRO HB2 H 2.284 0.002 2 298 53 53 PRO HD2 H 3.860 0.002 2 299 53 53 PRO HD3 H 3.536 0.007 2 300 53 53 PRO HG2 H 2.106 0.003 2 301 53 53 PRO CA C 64.568 0.150 1 302 53 53 PRO CB C 31.519 0.150 1 303 53 53 PRO CD C 50.356 0.057 1 304 53 53 PRO CG C 27.145 0.014 1 305 54 54 SER H H 7.773 0.028 1 306 54 54 SER HA H 4.405 0.013 1 307 54 54 SER HB2 H 3.977 0.010 2 308 54 54 SER CA C 59.788 0.150 1 309 54 54 SER CB C 63.557 0.150 1 310 54 54 SER N N 113.970 0.131 1 311 55 55 ASP H H 8.305 0.012 1 312 55 55 ASP HA H 4.691 0.010 1 313 55 55 ASP HB2 H 2.801 0.006 2 314 55 55 ASP CA C 55.047 0.160 1 315 55 55 ASP CB C 40.808 0.056 1 316 55 55 ASP N N 121.325 0.138 1 317 56 56 CYS H H 8.200 0.006 1 318 56 56 CYS HA H 4.324 0.009 1 319 56 56 CYS HB2 H 3.090 0.005 2 320 56 56 CYS HB3 H 3.042 0.010 2 321 56 56 CYS CA C 61.204 0.150 1 322 56 56 CYS CB C 27.067 0.032 1 323 56 56 CYS N N 117.292 0.080 1 324 57 57 GLY H H 8.449 0.017 1 325 57 57 GLY HA2 H 3.950 0.013 2 326 57 57 GLY CA C 46.632 0.150 1 327 57 57 GLY N N 108.260 8.142 1 328 58 58 GLU H H 8.492 0.008 1 329 58 58 GLU HA H 4.119 0.011 1 330 58 58 GLU HB2 H 2.217 0.017 2 331 58 58 GLU HG2 H 2.471 0.011 2 332 58 58 GLU HG3 H 2.471 0.011 2 333 58 58 GLU CA C 59.664 0.008 1 334 58 58 GLU CB C 28.559 0.150 1 335 58 58 GLU CG C 33.833 0.150 1 336 58 58 GLU N N 122.659 0.082 1 337 59 59 LYS H H 7.891 0.005 1 338 59 59 LYS HA H 4.128 0.010 1 339 59 59 LYS HB2 H 1.945 0.015 2 340 59 59 LYS HE2 H 2.974 0.009 2 341 59 59 LYS HE3 H 2.974 0.009 2 342 59 59 LYS HG2 H 1.347 0.012 2 343 59 59 LYS CA C 59.836 0.150 1 344 59 59 LYS CB C 31.259 0.017 1 345 59 59 LYS CE C 42.382 0.008 1 346 59 59 LYS CG C 25.104 0.150 1 347 59 59 LYS N N 118.448 0.121 1 348 60 60 MET H H 8.355 0.021 1 349 60 60 MET HA H 4.320 0.006 1 350 60 60 MET HB2 H 2.234 0.009 2 351 60 60 MET HE H 2.087 0.007 1 352 60 60 MET HG2 H 2.741 0.007 2 353 60 60 MET HG3 H 2.648 0.010 2 354 60 60 MET CA C 58.683 0.039 1 355 60 60 MET CB C 32.056 0.150 1 356 60 60 MET CE C 16.046 0.080 1 357 60 60 MET CG C 32.154 0.026 1 358 60 60 MET N N 117.834 0.049 1 359 61 61 THR H H 7.941 0.008 1 360 61 61 THR HA H 3.981 0.007 1 361 61 61 THR HG2 H 1.322 0.007 1 362 61 61 THR CA C 66.623 0.150 1 363 61 61 THR CG2 C 20.658 0.150 1 364 61 61 THR N N 112.903 0.068 1 365 62 62 LEU H H 7.932 0.013 1 366 62 62 LEU HA H 4.410 0.003 1 367 62 62 LEU HB2 H 1.888 0.011 2 368 62 62 LEU HB3 H 1.754 0.012 2 369 62 62 LEU HD1 H 0.948 0.001 2 370 62 62 LEU HG H 1.760 0.010 1 371 62 62 LEU CA C 56.825 0.001 1 372 62 62 LEU CB C 42.521 0.008 1 373 62 62 LEU N N 124.135 0.173 1 374 63 63 CYS H H 8.103 0.010 1 375 63 63 CYS HA H 4.127 0.005 1 376 63 63 CYS HB2 H 3.183 0.013 2 377 63 63 CYS HB3 H 2.983 0.008 2 378 63 63 CYS CA C 63.471 0.150 1 379 63 63 CYS CB C 26.532 0.033 1 380 63 63 CYS N N 116.825 0.030 1 381 64 64 ILE H H 8.372 0.016 1 382 64 64 ILE HA H 3.891 0.010 1 383 64 64 ILE HB H 1.999 0.005 1 384 64 64 ILE HD1 H 0.903 0.006 1 385 64 64 ILE HG2 H 1.024 0.010 1 386 64 64 ILE CA C 64.943 0.018 1 387 64 64 ILE CB C 37.854 0.018 1 388 64 64 ILE CD1 C 11.824 0.213 1 389 64 64 ILE CG2 C 16.642 0.016 1 390 64 64 ILE N N 118.345 0.024 1 391 65 65 SER H H 7.987 0.017 1 392 65 65 SER HA H 4.297 0.010 1 393 65 65 SER HB3 H 4.032 0.010 2 394 65 65 SER CA C 62.636 0.150 1 395 65 65 SER CB C 62.831 0.150 1 396 65 65 SER N N 115.047 0.058 1 397 66 66 VAL H H 7.971 0.013 1 398 66 66 VAL HA H 3.823 0.014 1 399 66 66 VAL HB H 2.278 0.010 1 400 66 66 VAL HG1 H 1.099 0.016 2 401 66 66 VAL HG2 H 0.998 0.002 2 402 66 66 VAL CA C 66.718 0.150 1 403 66 66 VAL CB C 31.771 0.150 1 404 66 66 VAL CG1 C 21.622 0.117 2 405 66 66 VAL CG2 C 20.411 0.134 2 406 66 66 VAL N N 123.516 0.064 1 407 67 67 LEU H H 8.061 0.018 1 408 67 67 LEU HA H 4.137 0.004 1 409 67 67 LEU HB3 H 1.661 0.003 2 410 67 67 LEU HD1 H 0.950 0.010 2 411 67 67 LEU CA C 58.412 0.150 1 412 67 67 LEU CB C 42.165 0.150 1 413 67 67 LEU N N 119.927 0.023 1 414 68 68 LEU H H 8.848 0.012 1 415 68 68 LEU HA H 4.202 0.013 1 416 68 68 LEU HB2 H 1.900 0.011 2 417 68 68 LEU HB3 H 1.700 0.012 2 418 68 68 LEU HD1 H 0.940 0.010 2 419 68 68 LEU HD2 H 0.930 0.004 2 420 68 68 LEU HG H 1.845 0.001 1 421 68 68 LEU CA C 58.863 0.000 1 422 68 68 LEU CB C 41.890 0.037 1 423 68 68 LEU CD1 C 23.964 0.079 2 424 68 68 LEU CD2 C 23.096 0.058 2 425 68 68 LEU CG C 26.859 0.021 1 426 68 68 LEU N N 122.139 0.083 1 427 69 69 ALA H H 7.852 0.007 1 428 69 69 ALA HA H 4.117 0.008 1 429 69 69 ALA HB H 1.620 0.008 1 430 69 69 ALA CA C 55.607 0.049 1 431 69 69 ALA CB C 17.411 0.044 1 432 69 69 ALA N N 121.739 0.022 1 433 70 70 LEU H H 8.709 0.014 1 434 70 70 LEU HA H 4.258 0.010 1 435 70 70 LEU HB2 H 1.890 0.015 2 436 70 70 LEU HB3 H 1.660 0.006 2 437 70 70 LEU HD1 H 0.982 0.006 2 438 70 70 LEU HG H 1.893 0.010 1 439 70 70 LEU CA C 58.069 0.026 1 440 70 70 LEU CB C 41.958 0.029 1 441 70 70 LEU CD1 C 23.751 0.290 2 442 70 70 LEU CG C 26.906 0.150 1 443 70 70 LEU N N 118.662 0.038 1 444 71 71 THR H H 8.165 0.008 1 445 71 71 THR HA H 3.956 0.005 1 446 71 71 THR HB H 4.156 0.009 1 447 71 71 THR HG2 H 1.320 0.005 1 448 71 71 THR CA C 67.730 0.150 1 449 71 71 THR CB C 68.189 0.150 1 450 71 71 THR CG2 C 20.004 0.063 1 451 71 71 THR N N 115.232 0.073 1 452 72 72 VAL H H 8.372 0.020 1 453 72 72 VAL HA H 3.700 0.007 1 454 72 72 VAL HB H 2.251 0.011 1 455 72 72 VAL HG1 H 1.135 0.016 2 456 72 72 VAL HG2 H 1.050 0.005 2 457 72 72 VAL CA C 67.307 0.150 1 458 72 72 VAL CB C 31.731 0.150 1 459 72 72 VAL CG1 C 22.168 0.150 2 460 72 72 VAL CG2 C 20.581 0.075 2 461 72 72 VAL N N 120.910 0.039 1 462 73 73 PHE H H 8.190 0.014 1 463 73 73 PHE HA H 4.334 0.011 1 464 73 73 PHE HB2 H 3.397 0.007 2 465 73 73 PHE HD1 H 7.230 0.011 3 466 73 73 PHE HD2 H 7.230 0.011 3 467 73 73 PHE HE1 H 7.267 0.009 3 468 73 73 PHE HE2 H 7.267 0.009 3 469 73 73 PHE CA C 61.851 0.120 1 470 73 73 PHE CB C 39.092 0.075 1 471 73 73 PHE CD1 C 65.793 0.150 3 472 73 73 PHE N N 120.413 0.081 1 473 74 74 LEU H H 8.678 0.015 1 474 74 74 LEU HA H 3.980 0.013 1 475 74 74 LEU HB2 H 2.060 0.011 2 476 74 74 LEU HB3 H 1.553 0.011 2 477 74 74 LEU HD1 H 0.979 0.011 2 478 74 74 LEU HD2 H 0.979 0.005 2 479 74 74 LEU HG H 2.053 0.010 1 480 74 74 LEU CA C 58.131 0.150 1 481 74 74 LEU CB C 41.838 0.027 1 482 74 74 LEU CD1 C 22.472 0.102 2 483 74 74 LEU CD2 C 21.510 0.092 2 484 74 74 LEU CG C 27.067 0.056 1 485 74 74 LEU N N 118.910 0.056 1 486 75 75 LEU H H 8.492 0.012 1 487 75 75 LEU HA H 4.129 0.004 1 488 75 75 LEU HB2 H 1.892 0.010 2 489 75 75 LEU HD1 H 0.917 0.004 2 490 75 75 LEU HD2 H 0.897 0.003 2 491 75 75 LEU HG H 1.890 0.004 1 492 75 75 LEU CA C 58.013 0.150 1 493 75 75 LEU CB C 41.857 0.150 1 494 75 75 LEU CD1 C 24.102 0.202 2 495 75 75 LEU CD2 C 22.612 0.072 2 496 75 75 LEU CG C 26.945 0.051 1 497 75 75 LEU N N 119.143 0.093 1 498 76 76 LEU H H 8.217 0.012 1 499 76 76 LEU HA H 4.425 0.012 1 500 76 76 LEU HB2 H 1.888 0.003 2 501 76 76 LEU HB3 H 1.718 0.009 2 502 76 76 LEU HD1 H 0.930 0.016 2 503 76 76 LEU HG H 1.724 0.007 1 504 76 76 LEU CA C 57.756 0.150 1 505 76 76 LEU CB C 42.926 0.024 1 506 76 76 LEU CD1 C 23.864 0.224 2 507 76 76 LEU CG C 27.060 0.052 1 508 76 76 LEU N N 119.625 0.098 1 509 77 77 ILE H H 8.369 0.011 1 510 77 77 ILE HA H 3.874 0.007 1 511 77 77 ILE HB H 1.895 0.007 1 512 77 77 ILE HD1 H 0.803 0.004 1 513 77 77 ILE HG12 H 1.449 0.006 2 514 77 77 ILE HG13 H 1.281 0.009 2 515 77 77 ILE HG2 H 0.875 0.005 1 516 77 77 ILE CA C 64.344 0.059 1 517 77 77 ILE CB C 37.445 0.008 1 518 77 77 ILE CD1 C 11.295 0.091 1 519 77 77 ILE CG1 C 27.876 0.076 1 520 77 77 ILE CG2 C 17.155 0.107 1 521 77 77 ILE N N 118.381 0.048 1 522 78 78 SER H H 8.169 0.016 1 523 78 78 SER HA H 4.102 0.008 1 524 78 78 SER HB2 H 3.899 0.011 2 525 78 78 SER CA C 60.740 0.030 1 526 78 78 SER CB C 63.939 0.150 1 527 78 78 SER N N 113.122 0.077 1 528 79 79 LYS H H 7.568 0.008 1 529 79 79 LYS HA H 4.387 0.006 1 530 79 79 LYS HB2 H 2.001 0.014 2 531 79 79 LYS HD2 H 1.751 0.010 2 532 79 79 LYS HE2 H 3.059 0.002 2 533 79 79 LYS HE3 H 3.059 0.002 2 534 79 79 LYS HG2 H 1.561 0.006 2 535 79 79 LYS HG3 H 1.524 0.005 2 536 79 79 LYS CA C 56.795 0.150 1 537 79 79 LYS CB C 32.252 0.123 1 538 79 79 LYS CD C 29.000 0.150 1 539 79 79 LYS CE C 42.562 0.055 1 540 79 79 LYS CG C 24.779 0.121 1 541 79 79 LYS N N 119.341 0.058 1 542 80 80 ILE H H 7.732 0.009 1 543 80 80 ILE HA H 4.196 0.007 1 544 80 80 ILE HB H 2.000 0.006 1 545 80 80 ILE HD1 H 0.918 0.013 1 546 80 80 ILE HG12 H 1.618 0.007 2 547 80 80 ILE HG13 H 1.269 0.009 2 548 80 80 ILE HG2 H 0.955 0.008 1 549 80 80 ILE CA C 62.512 0.150 1 550 80 80 ILE CB C 39.263 0.001 1 551 80 80 ILE CD1 C 11.386 0.150 1 552 80 80 ILE CG1 C 27.377 0.049 1 553 80 80 ILE CG2 C 16.643 0.057 1 554 80 80 ILE N N 117.486 0.038 1 555 81 81 VAL H H 7.615 0.021 1 556 81 81 VAL HA H 4.411 0.005 1 557 81 81 VAL HB H 2.159 0.007 1 558 81 81 VAL HG1 H 1.011 0.011 2 559 81 81 VAL CA C 60.582 0.150 1 560 81 81 VAL CB C 32.171 0.018 1 561 81 81 VAL CG1 C 20.478 0.065 2 562 81 81 VAL N N 121.111 0.091 1 563 82 82 PRO HA H 4.722 0.004 1 564 82 82 PRO HB2 H 2.383 0.012 2 565 82 82 PRO HB3 H 2.000 0.011 2 566 82 82 PRO HD2 H 3.981 0.005 2 567 82 82 PRO HD3 H 3.665 0.006 2 568 82 82 PRO HG2 H 2.139 0.008 2 569 82 82 PRO CA C 62.159 0.070 1 570 82 82 PRO CB C 30.582 0.026 1 571 82 82 PRO CD C 50.463 0.101 1 572 82 82 PRO CG C 27.280 0.150 1 573 83 83 PRO HA H 4.525 0.001 1 574 83 83 PRO HB2 H 2.349 0.009 2 575 83 83 PRO HB3 H 2.064 0.007 2 576 83 83 PRO HD2 H 3.868 0.006 2 577 83 83 PRO HD3 H 3.695 0.012 2 578 83 83 PRO HG2 H 2.075 0.017 2 579 83 83 PRO CA C 64.337 0.150 1 580 83 83 PRO CB C 31.070 0.016 1 581 83 83 PRO CD C 50.302 0.042 1 582 83 83 PRO CG C 27.103 0.150 1 583 84 84 THR H H 7.450 0.007 1 584 84 84 THR HA H 4.304 0.005 1 585 84 84 THR HB H 4.493 0.018 1 586 84 84 THR HG2 H 1.291 0.009 1 587 84 84 THR CA C 62.369 0.042 1 588 84 84 THR CB C 69.249 0.150 1 589 84 84 THR CG2 C 21.070 0.001 1 590 84 84 THR N N 120.545 7.727 1 591 85 85 SER H H 7.934 0.010 1 592 85 85 SER HA H 4.473 0.008 1 593 85 85 SER HB2 H 3.954 0.012 2 594 85 85 SER CA C 59.196 0.002 1 595 85 85 SER CB C 63.880 0.148 1 596 85 85 SER N N 115.830 0.266 1 597 86 86 LEU H H 7.605 0.007 1 598 86 86 LEU HA H 4.375 0.004 1 599 86 86 LEU HB2 H 1.691 0.014 2 600 86 86 LEU HD1 H 0.923 0.018 2 601 86 86 LEU CA C 55.828 0.150 1 602 86 86 LEU CB C 42.155 0.029 1 603 86 86 LEU CD1 C 22.563 0.008 2 604 86 86 LEU N N 121.946 0.036 1 605 87 87 ASP H H 7.898 0.007 1 606 87 87 ASP HA H 4.747 0.007 1 607 87 87 ASP HB2 H 2.792 0.007 2 608 87 87 ASP HB3 H 2.737 0.012 2 609 87 87 ASP CA C 54.037 0.092 1 610 87 87 ASP CB C 40.666 0.057 1 611 87 87 ASP N N 118.630 0.018 1 612 88 88 VAL H H 7.658 0.013 1 613 88 88 VAL HA H 4.237 0.009 1 614 88 88 VAL HB H 2.150 0.008 1 615 88 88 VAL HG1 H 1.067 0.010 2 616 88 88 VAL HG2 H 0.983 0.009 2 617 88 88 VAL CA C 62.890 0.039 1 618 88 88 VAL CB C 32.151 0.150 1 619 88 88 VAL CG1 C 20.675 0.291 2 620 88 88 VAL CG2 C 20.349 0.150 2 621 88 88 VAL N N 120.367 0.134 1 622 89 89 PRO HA H 4.467 0.007 1 623 89 89 PRO HB2 H 2.402 0.009 2 624 89 89 PRO HB3 H 1.953 0.009 2 625 89 89 PRO HD2 H 3.896 0.010 2 626 89 89 PRO HD3 H 3.706 0.009 2 627 89 89 PRO HG2 H 2.122 0.011 2 628 89 89 PRO HG3 H 2.057 0.010 2 629 89 89 PRO CA C 64.352 0.001 1 630 89 89 PRO CB C 31.512 0.003 1 631 89 89 PRO CD C 50.491 0.180 1 632 89 89 PRO CG C 27.231 0.022 1 633 90 90 LEU H H 7.528 0.013 1 634 90 90 LEU HA H 4.209 0.008 1 635 90 90 LEU HB2 H 1.792 0.018 2 636 90 90 LEU HB3 H 1.730 0.011 2 637 90 90 LEU HD1 H 1.026 0.008 2 638 90 90 LEU HD2 H 1.024 0.001 2 639 90 90 LEU HG H 1.715 0.010 1 640 90 90 LEU CA C 57.918 0.150 1 641 90 90 LEU CB C 42.379 0.038 1 642 90 90 LEU CD1 C 24.615 0.076 2 643 90 90 LEU CD2 C 23.776 0.179 2 644 90 90 LEU CG C 27.749 0.150 1 645 90 90 LEU N N 119.223 0.065 1 646 91 91 VAL H H 7.421 0.007 1 647 91 91 VAL HA H 3.972 0.006 1 648 91 91 VAL HB H 2.180 0.004 1 649 91 91 VAL HG1 H 1.108 0.010 2 650 91 91 VAL HG2 H 1.064 0.009 2 651 91 91 VAL CA C 65.324 0.023 1 652 91 91 VAL CB C 32.004 0.150 1 653 91 91 VAL CG1 C 20.923 0.105 2 654 91 91 VAL CG2 C 20.051 0.105 2 655 91 91 VAL N N 115.352 0.083 1 656 92 92 GLY H H 7.928 0.008 1 657 92 92 GLY HA2 H 3.942 0.004 2 658 92 92 GLY HA3 H 3.798 0.012 2 659 92 92 GLY CA C 47.019 0.001 1 660 92 92 GLY N N 105.587 7.771 1 661 93 93 LYS H H 7.684 0.008 1 662 93 93 LYS HA H 4.106 0.011 1 663 93 93 LYS HB2 H 1.973 0.008 2 664 93 93 LYS HD2 H 1.712 0.010 2 665 93 93 LYS HD3 H 1.712 0.010 2 666 93 93 LYS HE2 H 2.988 0.003 2 667 93 93 LYS HE3 H 2.988 0.003 2 668 93 93 LYS HG2 H 1.455 0.006 2 669 93 93 LYS HG3 H 1.328 0.015 2 670 93 93 LYS CA C 59.663 0.026 1 671 93 93 LYS CB C 31.679 0.055 1 672 93 93 LYS CD C 29.086 0.150 1 673 93 93 LYS CE C 42.373 0.002 1 674 93 93 LYS CG C 25.172 0.119 1 675 93 93 LYS N N 119.654 0.072 1 676 94 94 TYR H H 7.919 0.011 1 677 94 94 TYR HA H 4.403 0.012 1 678 94 94 TYR HB2 H 3.286 0.004 2 679 94 94 TYR HB3 H 3.177 0.008 2 680 94 94 TYR HD1 H 7.158 0.010 3 681 94 94 TYR HD2 H 7.158 0.010 3 682 94 94 TYR HE1 H 6.840 0.003 3 683 94 94 TYR HE2 H 6.840 0.003 3 684 94 94 TYR CA C 61.043 0.150 1 685 94 94 TYR CB C 38.046 0.115 1 686 94 94 TYR CD1 C 68.338 0.169 3 687 94 94 TYR CE1 C 54.337 0.120 3 688 94 94 TYR N N 118.575 0.050 1 689 95 95 LEU H H 8.443 0.010 1 690 95 95 LEU HA H 4.131 0.009 1 691 95 95 LEU HB2 H 1.961 0.013 2 692 95 95 LEU HB3 H 1.715 0.008 2 693 95 95 LEU HD1 H 0.982 0.007 2 694 95 95 LEU HG H 1.922 0.008 1 695 95 95 LEU CA C 58.615 0.150 1 696 95 95 LEU CB C 41.888 0.036 1 697 95 95 LEU CD1 C 23.379 0.079 2 698 95 95 LEU CG C 26.988 0.004 1 699 95 95 LEU N N 122.160 0.047 1 700 96 96 MET H H 8.152 0.010 1 701 96 96 MET HA H 4.258 0.005 1 702 96 96 MET HB2 H 2.221 0.018 2 703 96 96 MET HE H 2.058 0.004 1 704 96 96 MET HG2 H 2.709 0.011 2 705 96 96 MET HG3 H 2.599 0.008 2 706 96 96 MET CA C 59.067 0.013 1 707 96 96 MET CB C 32.004 0.150 1 708 96 96 MET CE C 16.285 0.025 1 709 96 96 MET CG C 32.187 0.032 1 710 96 96 MET N N 118.015 0.024 1 711 97 97 PHE H H 8.346 0.010 1 712 97 97 PHE HA H 4.344 0.011 1 713 97 97 PHE HB2 H 3.318 0.005 2 714 97 97 PHE HB3 H 3.207 0.009 2 715 97 97 PHE HD1 H 7.216 0.016 3 716 97 97 PHE HD2 H 7.216 0.016 3 717 97 97 PHE HE1 H 7.290 0.012 3 718 97 97 PHE HE2 H 7.290 0.012 3 719 97 97 PHE CA C 61.044 0.150 1 720 97 97 PHE CB C 38.981 0.072 1 721 97 97 PHE N N 118.183 0.082 1 722 98 98 THR H H 8.087 0.011 1 723 98 98 THR HA H 3.806 0.008 1 724 98 98 THR HB H 4.372 0.006 1 725 98 98 THR HG2 H 1.242 0.004 1 726 98 98 THR CA C 67.185 0.150 1 727 98 98 THR CB C 69.214 0.150 1 728 98 98 THR CG2 C 20.547 0.068 1 729 98 98 THR N N 112.909 0.040 1 730 99 99 MET H H 8.095 0.007 1 731 99 99 MET HA H 4.226 0.013 1 732 99 99 MET HB2 H 2.379 0.010 2 733 99 99 MET HB3 H 2.206 0.007 2 734 99 99 MET HE H 2.087 0.004 1 735 99 99 MET HG2 H 2.773 0.005 2 736 99 99 MET HG3 H 2.594 0.004 2 737 99 99 MET CA C 59.057 0.150 1 738 99 99 MET CB C 31.918 0.029 1 739 99 99 MET CE C 16.031 0.029 1 740 99 99 MET CG C 32.220 0.032 1 741 99 99 MET N N 119.390 0.043 1 742 100 100 VAL H H 8.219 0.009 1 743 100 100 VAL HA H 3.573 0.009 1 744 100 100 VAL HB H 2.266 0.006 1 745 100 100 VAL HG1 H 1.107 0.010 2 746 100 100 VAL HG2 H 0.875 0.007 2 747 100 100 VAL CA C 67.494 0.150 1 748 100 100 VAL CB C 31.596 0.025 1 749 100 100 VAL CG1 C 21.798 0.059 2 750 100 100 VAL CG2 C 20.277 0.083 2 751 100 100 VAL N N 123.675 0.042 1 752 101 101 LEU H H 7.923 0.007 1 753 101 101 LEU HA H 4.093 0.007 1 754 101 101 LEU HB2 H 1.711 0.007 2 755 101 101 LEU HB3 H 1.605 0.010 2 756 101 101 LEU HD1 H 0.824 0.010 2 757 101 101 LEU HD2 H 0.818 0.003 2 758 101 101 LEU HG H 1.559 0.008 1 759 101 101 LEU CA C 58.675 0.150 1 760 101 101 LEU CB C 41.697 0.112 1 761 101 101 LEU CD1 C 23.550 0.223 2 762 101 101 LEU CD2 C 22.800 0.030 2 763 101 101 LEU CG C 26.758 0.150 1 764 101 101 LEU N N 120.327 0.115 1 765 102 102 VAL H H 8.854 0.009 1 766 102 102 VAL HA H 3.646 0.007 1 767 102 102 VAL HB H 2.203 0.007 1 768 102 102 VAL HG1 H 1.125 0.006 2 769 102 102 VAL HG2 H 0.996 0.011 2 770 102 102 VAL CA C 67.513 0.150 1 771 102 102 VAL CB C 32.028 0.150 1 772 102 102 VAL CG1 C 22.155 0.072 2 773 102 102 VAL CG2 C 20.452 0.091 2 774 102 102 VAL N N 121.301 0.031 1 775 103 103 THR H H 8.157 0.013 1 776 103 103 THR HA H 3.920 0.012 1 777 103 103 THR HB H 4.441 0.011 1 778 103 103 THR HG2 H 1.299 0.006 1 779 103 103 THR CA C 67.975 0.150 1 780 103 103 THR CB C 69.362 0.150 1 781 103 103 THR CG2 C 20.179 0.010 1 782 103 103 THR N N 115.572 0.047 1 783 104 104 PHE H H 8.972 0.009 1 784 104 104 PHE HA H 4.292 0.009 1 785 104 104 PHE HB2 H 3.306 0.017 2 786 104 104 PHE HB3 H 3.255 0.005 2 787 104 104 PHE HD1 H 7.203 0.013 3 788 104 104 PHE HD2 H 7.203 0.013 3 789 104 104 PHE HE1 H 7.269 0.015 3 790 104 104 PHE HE2 H 7.269 0.015 3 791 104 104 PHE CA C 61.545 0.150 1 792 104 104 PHE CB C 38.901 0.075 1 793 104 104 PHE CD1 C 67.026 0.150 3 794 104 104 PHE CE1 C 66.834 0.216 3 795 104 104 PHE N N 120.755 0.040 1 796 105 105 SER H H 8.546 0.006 1 797 105 105 SER HA H 4.342 0.010 1 798 105 105 SER HB2 H 4.148 0.007 2 799 105 105 SER HB3 H 4.013 0.005 2 800 105 105 SER CA C 62.340 0.150 1 801 105 105 SER CB C 62.817 0.099 1 802 105 105 SER N N 118.249 0.022 1 803 106 106 ILE H H 8.413 0.011 1 804 106 106 ILE HA H 3.788 0.004 1 805 106 106 ILE HB H 2.080 0.004 1 806 106 106 ILE HD1 H 0.879 0.010 1 807 106 106 ILE HG12 H 1.906 0.006 2 808 106 106 ILE HG13 H 1.115 0.008 2 809 106 106 ILE HG2 H 0.944 0.005 1 810 106 106 ILE CA C 65.818 0.150 1 811 106 106 ILE CB C 38.380 0.003 1 812 106 106 ILE CD1 C 12.263 0.096 1 813 106 106 ILE CG1 C 28.559 0.023 1 814 106 106 ILE CG2 C 15.849 0.116 1 815 106 106 ILE N N 126.071 0.050 1 816 107 107 VAL H H 8.627 0.009 1 817 107 107 VAL HA H 3.642 0.008 1 818 107 107 VAL HB H 2.115 0.006 1 819 107 107 VAL HG1 H 1.120 0.004 2 820 107 107 VAL HG2 H 0.973 0.012 2 821 107 107 VAL CA C 67.513 0.150 1 822 107 107 VAL CB C 31.913 0.150 1 823 107 107 VAL CG1 C 21.809 0.105 2 824 107 107 VAL CG2 C 20.369 0.079 2 825 107 107 VAL N N 118.957 0.043 1 826 108 108 THR H H 8.135 0.008 1 827 108 108 THR HA H 3.881 0.008 1 828 108 108 THR HB H 4.090 0.004 1 829 108 108 THR HG2 H 1.082 0.010 1 830 108 108 THR CA C 66.742 0.117 1 831 108 108 THR CB C 69.306 0.302 1 832 108 108 THR CG2 C 20.587 0.112 1 833 108 108 THR N N 111.984 0.179 1 834 109 109 SER H H 7.732 0.010 1 835 109 109 SER HA H 4.230 0.006 1 836 109 109 SER HB3 H 3.940 0.016 2 837 109 109 SER CA C 62.901 0.049 1 838 109 109 SER CB C 62.853 0.150 1 839 109 109 SER N N 117.524 0.089 1 840 110 110 VAL H H 8.267 0.016 1 841 110 110 VAL HA H 3.757 0.009 1 842 110 110 VAL HB H 2.316 0.005 1 843 110 110 VAL HG1 H 1.111 0.006 2 844 110 110 VAL HG2 H 0.975 0.010 2 845 110 110 VAL CA C 66.696 0.150 1 846 110 110 VAL CB C 31.692 0.150 1 847 110 110 VAL CG1 C 21.755 0.077 2 848 110 110 VAL CG2 C 20.347 0.103 2 849 110 110 VAL N N 121.685 0.154 1 850 111 111 CYS H H 8.167 0.021 1 851 111 111 CYS HA H 4.220 0.011 1 852 111 111 CYS HB2 H 3.252 0.016 2 853 111 111 CYS HB3 H 2.920 0.004 2 854 111 111 CYS CA C 63.870 0.195 1 855 111 111 CYS CB C 26.328 0.132 1 856 111 111 CYS N N 118.980 0.222 1 857 112 112 VAL H H 8.340 0.020 1 858 112 112 VAL HA H 3.793 0.002 1 859 112 112 VAL HB H 2.290 0.004 1 860 112 112 VAL HG1 H 1.125 0.005 2 861 112 112 VAL HG2 H 0.994 0.005 2 862 112 112 VAL CA C 66.614 0.024 1 863 112 112 VAL CB C 31.796 0.004 1 864 112 112 VAL CG1 C 21.971 0.083 2 865 112 112 VAL CG2 C 20.497 0.107 2 866 112 112 VAL N N 119.247 0.137 1 867 113 113 LEU H H 8.331 0.030 1 868 113 113 LEU HA H 4.217 0.010 1 869 113 113 LEU HB2 H 1.982 0.004 2 870 113 113 LEU HB3 H 1.630 0.005 2 871 113 113 LEU HD1 H 0.929 0.004 2 872 113 113 LEU HD2 H 0.913 0.002 2 873 113 113 LEU HG H 1.847 0.010 1 874 113 113 LEU CA C 58.096 0.012 1 875 113 113 LEU CB C 41.834 0.031 1 876 113 113 LEU CD1 C 23.906 0.042 2 877 113 113 LEU CD2 C 22.665 0.100 2 878 113 113 LEU CG C 26.979 0.150 1 879 113 113 LEU N N 120.601 0.077 1 880 114 114 ASN H H 8.161 0.043 1 881 114 114 ASN HA H 4.638 0.008 1 882 114 114 ASN HB2 H 2.997 0.008 2 883 114 114 ASN HB3 H 2.854 0.008 2 884 114 114 ASN HD21 H 7.515 0.026 2 885 114 114 ASN HD22 H 6.337 0.010 2 886 114 114 ASN CA C 55.833 0.150 1 887 114 114 ASN CB C 39.323 0.001 1 888 114 114 ASN N N 116.609 0.441 1 889 114 114 ASN ND2 N 110.067 0.103 1 890 115 115 VAL H H 8.118 0.055 1 891 115 115 VAL HA H 3.974 0.003 1 892 115 115 VAL HB H 2.202 0.005 1 893 115 115 VAL HG1 H 1.037 0.007 2 894 115 115 VAL HG2 H 0.862 0.005 2 895 115 115 VAL CA C 64.686 0.150 1 896 115 115 VAL CB C 32.110 0.058 1 897 115 115 VAL CG1 C 20.715 0.117 2 898 115 115 VAL CG2 C 20.201 0.055 2 899 115 115 VAL N N 117.996 0.402 1 900 116 116 HIS H H 7.886 0.008 1 901 116 116 HIS HA H 4.629 0.009 1 902 116 116 HIS HB2 H 3.385 0.037 2 903 116 116 HIS HB3 H 3.199 0.046 2 904 116 116 HIS HD2 H 7.229 0.010 1 905 116 116 HIS CA C 56.853 0.029 1 906 116 116 HIS CB C 29.138 0.340 1 907 116 116 HIS N N 116.549 0.055 1 908 117 117 HIS HA H 4.748 0.031 1 909 117 117 HIS HB2 H 3.390 0.063 2 910 117 117 HIS HB3 H 3.204 0.086 2 911 117 117 HIS HD2 H 7.267 0.010 1 912 117 117 HIS CA C 56.001 0.036 1 913 117 117 HIS CB C 29.426 0.362 1 914 118 118 ARG HA H 4.314 0.063 1 915 118 118 ARG HB2 H 1.982 0.014 2 916 118 118 ARG HB3 H 1.825 0.021 2 917 118 118 ARG HD2 H 3.249 0.006 2 918 118 118 ARG HD3 H 3.249 0.006 2 919 118 118 ARG HG2 H 1.707 0.014 2 920 118 118 ARG CA C 57.069 0.458 1 921 118 118 ARG CB C 31.142 0.288 1 922 118 118 ARG CD C 43.356 0.150 1 923 118 118 ARG CG C 27.061 0.018 1 924 119 119 SER H H 7.839 0.011 1 925 119 119 SER HA H 4.812 0.004 1 926 119 119 SER HB2 H 4.075 0.007 2 927 119 119 SER HB3 H 4.075 0.007 2 928 119 119 SER CA C 56.765 0.049 1 929 119 119 SER CB C 63.811 0.049 1 930 119 119 SER N N 115.574 0.054 1 931 120 120 PRO HA H 4.456 0.002 1 932 120 120 PRO HB2 H 2.392 0.019 2 933 120 120 PRO HB3 H 2.011 0.004 2 934 120 120 PRO HD2 H 3.922 0.006 2 935 120 120 PRO HD3 H 3.863 0.009 2 936 120 120 PRO HG2 H 2.089 0.008 2 937 120 120 PRO CA C 63.833 0.150 1 938 120 120 PRO CB C 31.495 0.101 1 939 120 120 PRO CD C 50.755 0.116 1 940 120 120 PRO CG C 26.993 0.150 1 941 121 121 THR H H 7.690 0.004 1 942 121 121 THR HA H 4.585 0.010 1 943 121 121 THR HB H 4.308 0.010 1 944 121 121 THR HG2 H 1.263 0.002 1 945 121 121 THR CA C 62.868 0.150 1 946 121 121 THR CB C 69.826 0.150 1 947 121 121 THR CG2 C 21.064 0.014 1 948 121 121 THR N N 108.425 0.095 1 949 122 122 THR H H 7.702 0.009 1 950 122 122 THR HA H 4.588 0.003 1 951 122 122 THR HB H 4.292 0.011 1 952 122 122 THR HG2 H 1.187 0.009 1 953 122 122 THR CA C 62.691 0.150 1 954 122 122 THR CB C 69.789 0.049 1 955 122 122 THR CG2 C 21.234 0.132 1 956 122 122 THR N N 113.596 0.086 1 957 123 123 HIS HA H 4.577 0.010 1 958 123 123 HIS HB2 H 3.248 0.010 2 959 123 123 HIS HB3 H 3.171 0.008 2 960 123 123 HIS CB C 29.932 0.051 1 961 124 124 THR H H 7.669 0.017 1 962 124 124 THR HA H 4.727 0.004 1 963 124 124 THR HB H 4.300 0.012 1 964 124 124 THR HG2 H 1.285 0.007 1 965 124 124 THR CA C 59.683 0.063 1 966 124 124 THR CB C 69.659 0.080 1 967 124 124 THR CG2 C 21.037 0.033 1 968 124 124 THR N N 113.493 0.079 1 969 125 125 PRO HA H 4.463 0.005 1 970 125 125 PRO HB2 H 2.344 0.005 2 971 125 125 PRO HB3 H 1.997 0.002 2 972 125 125 PRO HD2 H 3.832 0.007 2 973 125 125 PRO HD3 H 3.700 0.003 2 974 125 125 PRO HG2 H 2.096 0.011 2 975 125 125 PRO CA C 63.833 0.150 1 976 125 125 PRO CB C 31.388 0.104 1 977 125 125 PRO CD C 50.597 0.153 1 978 125 125 PRO CG C 27.056 0.068 1 979 126 126 ARG H H 7.777 0.013 1 980 126 126 ARG HA H 4.376 0.007 1 981 126 126 ARG HB2 H 1.958 0.006 2 982 126 126 ARG HB3 H 1.814 0.005 2 983 126 126 ARG HD2 H 3.212 0.001 2 984 126 126 ARG HD3 H 3.212 0.001 2 985 126 126 ARG HG2 H 1.720 0.003 2 986 126 126 ARG HG3 H 1.720 0.003 2 987 126 126 ARG CA C 56.206 0.113 1 988 126 126 ARG CB C 30.854 0.146 1 989 126 126 ARG CD C 43.257 0.020 1 990 126 126 ARG CG C 27.026 0.150 1 991 126 126 ARG N N 118.515 0.044 1 992 127 127 GLY H H 7.951 0.011 1 993 127 127 GLY HA2 H 4.023 0.010 2 994 127 127 GLY CA C 45.354 0.150 1 995 127 127 GLY N N 107.831 0.109 1 996 128 128 GLY H H 7.946 0.008 1 997 128 128 GLY HA2 H 4.023 0.010 2 998 128 128 GLY CA C 45.354 0.150 1 999 128 128 GLY N N 107.597 0.177 1 1000 129 129 GLY H H 7.924 0.005 1 1001 129 129 GLY HA2 H 3.958 0.002 2 1002 129 129 GLY CA C 45.630 0.042 1 1003 129 129 GLY N N 106.755 0.015 1 1004 130 130 GLY H H 7.921 0.007 1 1005 130 130 GLY HA2 H 3.922 0.008 2 1006 130 130 GLY CA C 45.956 0.141 1 1007 130 130 GLY N N 106.755 0.015 1 1008 131 131 TYR H H 7.478 0.013 1 1009 131 131 TYR HA H 4.492 0.009 1 1010 131 131 TYR HB2 H 3.112 0.008 2 1011 131 131 TYR HB3 H 3.112 0.008 2 1012 131 131 TYR HD1 H 7.136 0.002 3 1013 131 131 TYR HD2 H 7.136 0.002 3 1014 131 131 TYR CA C 59.602 0.150 1 1015 131 131 TYR CB C 38.355 0.123 1 1016 131 131 TYR N N 118.944 0.056 1 1017 132 132 VAL H H 7.356 0.013 1 1018 132 132 VAL HA H 3.782 0.008 1 1019 132 132 VAL HB H 2.108 0.004 1 1020 132 132 VAL HG1 H 1.032 0.012 2 1021 132 132 VAL HG2 H 0.986 0.004 2 1022 132 132 VAL CA C 65.415 0.069 1 1023 132 132 VAL CB C 31.815 0.059 1 1024 132 132 VAL CG1 C 20.950 0.084 2 1025 132 132 VAL CG2 C 20.384 0.192 2 1026 132 132 VAL N N 118.215 0.049 1 1027 133 133 ALA H H 7.406 0.012 1 1028 133 133 ALA HA H 4.101 0.009 1 1029 133 133 ALA HB H 1.478 0.004 1 1030 133 133 ALA CA C 54.790 0.057 1 1031 133 133 ALA CB C 17.994 0.146 1 1032 133 133 ALA N N 121.042 0.035 1 1033 134 134 MET H H 7.614 0.009 1 1034 134 134 MET HA H 4.284 0.013 1 1035 134 134 MET HB2 H 2.261 0.006 2 1036 134 134 MET HB3 H 2.198 0.004 2 1037 134 134 MET HE H 2.111 0.004 1 1038 134 134 MET HG2 H 2.721 0.007 2 1039 134 134 MET HG3 H 2.633 0.013 2 1040 134 134 MET CA C 58.160 0.150 1 1041 134 134 MET CB C 32.242 0.191 1 1042 134 134 MET CE C 16.300 0.150 1 1043 134 134 MET CG C 32.279 0.025 1 1044 134 134 MET N N 114.581 0.066 1 1045 135 135 VAL H H 7.651 0.011 1 1046 135 135 VAL HA H 3.840 0.009 1 1047 135 135 VAL HB H 2.276 0.009 1 1048 135 135 VAL HG1 H 0.995 0.006 2 1049 135 135 VAL CA C 65.635 0.126 1 1050 135 135 VAL CB C 32.068 0.129 1 1051 135 135 VAL CG1 C 20.966 0.087 2 1052 135 135 VAL N N 118.734 0.093 1 1053 136 136 ILE H H 7.914 0.013 1 1054 136 136 ILE HA H 3.881 0.008 1 1055 136 136 ILE HB H 1.971 0.005 1 1056 136 136 ILE HD1 H 0.935 0.015 1 1057 136 136 ILE HG12 H 1.665 0.008 2 1058 136 136 ILE HG13 H 1.306 0.007 2 1059 136 136 ILE HG2 H 0.972 0.009 1 1060 136 136 ILE CA C 64.511 0.152 1 1061 136 136 ILE CB C 38.007 0.152 1 1062 136 136 ILE CD1 C 12.190 0.150 1 1063 136 136 ILE CG1 C 28.343 0.161 1 1064 136 136 ILE CG2 C 16.727 0.041 1 1065 136 136 ILE N N 119.422 0.042 1 1066 137 137 ASP H H 8.129 0.011 1 1067 137 137 ASP HA H 4.570 0.009 1 1068 137 137 ASP HB2 H 2.915 0.008 2 1069 137 137 ASP HB3 H 2.796 0.004 2 1070 137 137 ASP CA C 57.060 0.150 1 1071 137 137 ASP CB C 40.555 0.144 1 1072 137 137 ASP N N 118.607 0.056 1 1073 138 138 ARG H H 7.690 0.007 1 1074 138 138 ARG HA H 4.235 0.007 1 1075 138 138 ARG HB2 H 2.033 0.012 2 1076 138 138 ARG HB3 H 1.978 0.010 2 1077 138 138 ARG HD2 H 3.239 0.012 2 1078 138 138 ARG HD3 H 3.239 0.012 2 1079 138 138 ARG HG2 H 1.833 0.006 2 1080 138 138 ARG CA C 58.314 0.057 1 1081 138 138 ARG CB C 29.987 0.093 1 1082 138 138 ARG CD C 43.315 0.150 1 1083 138 138 ARG CG C 26.907 0.150 1 1084 138 138 ARG N N 116.935 0.070 1 1085 139 139 LEU H H 8.173 0.017 1 1086 139 139 LEU HA H 4.337 0.005 1 1087 139 139 LEU HB2 H 1.807 0.008 2 1088 139 139 LEU HD1 H 0.949 0.002 2 1089 139 139 LEU HD2 H 0.886 0.010 2 1090 139 139 LEU HG H 1.780 0.010 1 1091 139 139 LEU CA C 57.876 0.173 1 1092 139 139 LEU CB C 42.215 0.115 1 1093 139 139 LEU CD1 C 23.736 0.002 2 1094 139 139 LEU CD2 C 23.043 0.150 2 1095 139 139 LEU CG C 27.080 0.006 1 1096 139 139 LEU N N 120.668 0.045 1 1097 140 140 PHE H H 8.201 0.015 1 1098 140 140 PHE HA H 4.441 0.005 1 1099 140 140 PHE HB2 H 3.250 0.003 2 1100 140 140 PHE HB3 H 3.250 0.003 2 1101 140 140 PHE HD1 H 7.256 0.008 3 1102 140 140 PHE HD2 H 7.256 0.008 3 1103 140 140 PHE CA C 60.671 0.117 1 1104 140 140 PHE CB C 38.857 0.053 1 1105 140 140 PHE N N 116.829 0.086 1 1106 141 141 LEU H H 7.830 0.013 1 1107 141 141 LEU HA H 4.275 0.007 1 1108 141 141 LEU HB2 H 1.847 0.008 2 1109 141 141 LEU HD2 H 0.942 0.005 2 1110 141 141 LEU HG H 1.826 0.001 1 1111 141 141 LEU CA C 58.137 0.029 1 1112 141 141 LEU CB C 42.245 0.124 1 1113 141 141 LEU CD2 C 24.532 0.125 2 1114 141 141 LEU CG C 27.120 0.030 1 1115 141 141 LEU N N 119.428 0.168 1 1116 142 142 TRP H H 7.885 0.010 1 1117 142 142 TRP HA H 4.452 0.011 1 1118 142 142 TRP HB2 H 3.526 0.015 2 1119 142 142 TRP HB3 H 3.475 0.009 2 1120 142 142 TRP HD1 H 7.165 0.010 1 1121 142 142 TRP HE1 H 8.917 0.005 1 1122 142 142 TRP HZ2 H 7.283 0.010 1 1123 142 142 TRP CA C 60.452 0.150 1 1124 142 142 TRP CB C 28.889 0.112 1 1125 142 142 TRP N N 117.782 0.234 1 1126 142 142 TRP NE1 N 124.433 0.045 1 1127 143 143 ILE H H 8.019 0.009 1 1128 143 143 ILE HA H 3.697 0.010 1 1129 143 143 ILE HB H 1.898 0.007 1 1130 143 143 ILE HD1 H 0.884 0.010 1 1131 143 143 ILE HG12 H 1.715 0.013 2 1132 143 143 ILE HG13 H 1.116 0.009 2 1133 143 143 ILE HG2 H 0.905 0.010 1 1134 143 143 ILE CA C 65.010 0.039 1 1135 143 143 ILE CB C 38.113 0.195 1 1136 143 143 ILE CD1 C 12.030 0.079 1 1137 143 143 ILE CG1 C 28.587 0.045 1 1138 143 143 ILE CG2 C 16.569 0.088 1 1139 143 143 ILE N N 118.787 0.101 1 1140 144 144 PHE H H 8.037 0.009 1 1141 144 144 PHE HA H 4.242 0.011 1 1142 144 144 PHE HB2 H 3.259 0.006 2 1143 144 144 PHE HB3 H 3.135 0.009 2 1144 144 144 PHE CA C 61.643 0.134 1 1145 144 144 PHE CB C 39.012 0.098 1 1146 144 144 PHE N N 119.551 0.105 1 1147 145 145 VAL H H 8.292 0.012 1 1148 145 145 VAL HA H 3.471 0.010 1 1149 145 145 VAL HB H 2.159 0.005 1 1150 145 145 VAL HG1 H 1.154 0.003 2 1151 145 145 VAL HG2 H 0.827 0.014 2 1152 145 145 VAL CA C 67.124 0.128 1 1153 145 145 VAL CB C 31.852 0.086 1 1154 145 145 VAL CG1 C 22.098 0.050 2 1155 145 145 VAL CG2 C 20.550 0.056 2 1156 145 145 VAL N N 118.671 0.066 1 1157 146 146 PHE H H 8.201 0.011 1 1158 146 146 PHE HA H 4.116 0.006 1 1159 146 146 PHE HB2 H 3.070 0.004 2 1160 146 146 PHE HB3 H 2.832 0.004 2 1161 146 146 PHE HD1 H 7.103 0.010 3 1162 146 146 PHE HD2 H 7.103 0.010 3 1163 146 146 PHE CA C 61.953 0.125 1 1164 146 146 PHE CB C 38.884 0.145 1 1165 146 146 PHE N N 119.298 0.101 1 1166 147 147 VAL H H 8.587 0.007 1 1167 147 147 VAL HA H 3.650 0.011 1 1168 147 147 VAL HB H 2.288 0.007 1 1169 147 147 VAL HG1 H 1.143 0.008 2 1170 147 147 VAL HG2 H 0.985 0.003 2 1171 147 147 VAL CA C 66.563 0.066 1 1172 147 147 VAL CB C 31.872 0.068 1 1173 147 147 VAL CG1 C 21.975 0.086 2 1174 147 147 VAL CG2 C 20.466 0.069 2 1175 147 147 VAL N N 117.968 0.036 1 1176 148 148 CYS H H 8.034 0.010 1 1177 148 148 CYS HA H 4.097 0.009 1 1178 148 148 CYS HB2 H 2.926 0.008 2 1179 148 148 CYS HB3 H 2.668 0.006 2 1180 148 148 CYS CA C 63.170 0.067 1 1181 148 148 CYS CB C 26.555 0.105 1 1182 148 148 CYS N N 117.816 0.143 1 1183 149 149 VAL H H 8.325 0.012 1 1184 149 149 VAL HA H 3.696 0.009 1 1185 149 149 VAL HB H 2.120 0.005 1 1186 149 149 VAL HG1 H 0.878 0.007 2 1187 149 149 VAL HG2 H 0.689 0.007 2 1188 149 149 VAL CA C 66.409 0.042 1 1189 149 149 VAL CB C 31.841 0.184 1 1190 149 149 VAL CG1 C 21.730 0.150 2 1191 149 149 VAL CG2 C 20.000 0.048 2 1192 149 149 VAL N N 121.138 0.067 1 1193 150 150 PHE H H 8.621 0.013 1 1194 150 150 PHE HA H 4.234 0.010 1 1195 150 150 PHE HB2 H 2.964 0.006 2 1196 150 150 PHE HB3 H 2.847 0.005 2 1197 150 150 PHE HD1 H 7.078 0.010 3 1198 150 150 PHE HD2 H 7.078 0.010 3 1199 150 150 PHE CA C 61.032 0.114 1 1200 150 150 PHE CB C 38.476 0.137 1 1201 150 150 PHE N N 119.540 0.087 1 1202 151 151 GLY H H 8.041 0.011 1 1203 151 151 GLY HA2 H 3.939 0.007 2 1204 151 151 GLY HA3 H 3.785 0.003 2 1205 151 151 GLY CA C 46.682 0.081 1 1206 151 151 GLY N N 105.789 0.112 1 1207 152 152 THR H H 7.612 0.011 1 1208 152 152 THR HA H 4.207 0.006 1 1209 152 152 THR HB H 4.336 0.012 1 1210 152 152 THR HG2 H 1.285 0.004 1 1211 152 152 THR CA C 65.063 0.103 1 1212 152 152 THR CB C 69.500 0.150 1 1213 152 152 THR CG2 C 21.002 0.074 1 1214 152 152 THR N N 114.697 0.026 1 1215 153 153 ILE H H 7.983 0.013 1 1216 153 153 ILE HA H 4.037 0.008 1 1217 153 153 ILE HB H 1.981 0.004 1 1218 153 153 ILE HD1 H 0.873 0.003 1 1219 153 153 ILE HG12 H 1.638 0.007 2 1220 153 153 ILE HG13 H 1.257 0.011 2 1221 153 153 ILE HG2 H 0.977 0.004 1 1222 153 153 ILE CA C 64.436 0.087 1 1223 153 153 ILE CB C 38.310 0.105 1 1224 153 153 ILE CD1 C 12.204 0.120 1 1225 153 153 ILE CG1 C 28.284 0.024 1 1226 153 153 ILE CG2 C 16.750 0.054 1 1227 153 153 ILE N N 120.255 0.073 1 1228 154 154 GLY H H 8.024 0.008 1 1229 154 154 GLY HA2 H 3.786 0.004 2 1230 154 154 GLY HA3 H 3.779 0.007 2 1231 154 154 GLY CA C 46.829 0.178 1 1232 154 154 GLY N N 105.994 0.107 1 1233 155 155 MET H H 7.747 0.010 1 1234 155 155 MET HA H 4.254 0.013 1 1235 155 155 MET HB2 H 2.086 0.010 2 1236 155 155 MET HB3 H 1.969 0.007 2 1237 155 155 MET HE H 2.002 0.003 1 1238 155 155 MET HG2 H 2.462 0.017 2 1239 155 155 MET HG3 H 2.415 0.001 2 1240 155 155 MET CA C 57.932 0.121 1 1241 155 155 MET CB C 31.851 0.097 1 1242 155 155 MET CE C 16.084 0.133 1 1243 155 155 MET CG C 31.959 0.084 1 1244 155 155 MET N N 118.450 0.044 1 1245 156 156 PHE H H 7.832 0.017 1 1246 156 156 PHE HA H 4.520 0.007 1 1247 156 156 PHE HB2 H 3.306 0.003 2 1248 156 156 PHE HB3 H 3.166 0.008 2 1249 156 156 PHE HD1 H 7.279 0.010 3 1250 156 156 PHE HD2 H 7.279 0.010 3 1251 156 156 PHE CA C 60.926 0.150 1 1252 156 156 PHE CB C 39.049 0.125 1 1253 156 156 PHE N N 117.958 0.086 1 1254 157 157 LEU H H 7.780 0.010 1 1255 157 157 LEU HA H 4.423 0.003 1 1256 157 157 LEU HB2 H 1.828 0.005 2 1257 157 157 LEU HB3 H 1.677 0.004 2 1258 157 157 LEU HD1 H 0.925 0.013 2 1259 157 157 LEU HG H 1.843 0.010 1 1260 157 157 LEU CA C 55.446 0.110 1 1261 157 157 LEU CB C 42.207 0.060 1 1262 157 157 LEU CD1 C 22.615 0.150 2 1263 157 157 LEU CG C 26.961 0.150 1 1264 157 157 LEU N N 117.606 0.174 1 1265 158 158 GLN H H 7.608 0.007 1 1266 158 158 GLN HA H 4.334 0.007 1 1267 158 158 GLN HB2 H 2.229 0.004 2 1268 158 158 GLN HB3 H 2.229 0.004 2 1269 158 158 GLN HE21 H 7.157 0.005 2 1270 158 158 GLN HE22 H 6.204 0.010 2 1271 158 158 GLN HG2 H 2.548 0.007 2 1272 158 158 GLN HG3 H 2.520 0.010 2 1273 158 158 GLN CA C 58.442 0.148 1 1274 158 158 GLN CB C 27.562 0.121 1 1275 158 158 GLN CG C 33.764 0.144 1 1276 158 158 GLN N N 118.202 0.063 1 1277 158 158 GLN NE2 N 108.383 0.028 1 1278 159 159 PRO HA H 4.345 0.003 1 1279 159 159 PRO HB2 H 2.306 0.011 2 1280 159 159 PRO HB3 H 1.779 0.005 2 1281 159 159 PRO HD2 H 3.741 0.007 2 1282 159 159 PRO HD3 H 3.593 0.006 2 1283 159 159 PRO HG2 H 2.088 0.004 2 1284 159 159 PRO HG3 H 1.965 0.002 2 1285 159 159 PRO CA C 65.326 0.065 1 1286 159 159 PRO CB C 31.064 0.156 1 1287 159 159 PRO CD C 50.496 0.107 1 1288 159 159 PRO CG C 27.655 0.101 1 1289 160 160 LEU H H 7.495 0.010 1 1290 160 160 LEU HA H 4.184 0.006 1 1291 160 160 LEU HB2 H 1.654 0.007 2 1292 160 160 LEU HB3 H 1.440 0.005 2 1293 160 160 LEU HD1 H 0.923 0.005 2 1294 160 160 LEU HD2 H 0.826 0.005 2 1295 160 160 LEU HG H 1.577 0.008 1 1296 160 160 LEU CA C 56.727 0.032 1 1297 160 160 LEU CB C 41.887 0.083 1 1298 160 160 LEU CD1 C 24.030 0.150 2 1299 160 160 LEU CD2 C 22.679 0.180 2 1300 160 160 LEU CG C 27.096 0.113 1 1301 160 160 LEU N N 116.106 0.090 1 1302 161 161 PHE H H 7.652 0.015 1 1303 161 161 PHE HA H 4.628 0.004 1 1304 161 161 PHE HB2 H 3.327 0.011 2 1305 161 161 PHE HB3 H 3.044 0.004 2 1306 161 161 PHE HD1 H 7.251 0.013 3 1307 161 161 PHE HD2 H 7.251 0.013 3 1308 161 161 PHE CA C 57.920 0.175 1 1309 161 161 PHE CB C 39.160 0.122 1 1310 161 161 PHE N N 116.888 0.043 1 1311 162 162 GLN H H 7.786 0.009 1 1312 162 162 GLN HA H 4.341 0.004 1 1313 162 162 GLN HB2 H 2.166 0.008 2 1314 162 162 GLN HB3 H 2.025 0.006 2 1315 162 162 GLN HE21 H 7.251 0.007 2 1316 162 162 GLN HE22 H 6.313 0.010 2 1317 162 162 GLN HG2 H 2.398 0.007 2 1318 162 162 GLN HG3 H 2.398 0.007 2 1319 162 162 GLN CA C 56.319 0.135 1 1320 162 162 GLN CB C 29.144 0.093 1 1321 162 162 GLN CG C 33.697 0.238 1 1322 162 162 GLN N N 117.968 0.076 1 1323 162 162 GLN NE2 N 109.279 0.017 1 1324 163 163 ASN H H 7.892 0.012 1 1325 163 163 ASN HA H 4.779 0.003 1 1326 163 163 ASN HB2 H 2.802 0.002 2 1327 163 163 ASN HB3 H 2.711 0.006 2 1328 163 163 ASN HD21 H 7.229 0.006 2 1329 163 163 ASN HD22 H 6.420 0.010 2 1330 163 163 ASN CA C 53.348 0.119 1 1331 163 163 ASN CB C 39.461 0.168 1 1332 163 163 ASN N N 118.292 0.082 1 1333 163 163 ASN ND2 N 110.161 0.014 1 1334 164 164 TYR H H 7.504 0.011 1 1335 164 164 TYR HA H 4.459 0.004 1 1336 164 164 TYR HB2 H 3.130 0.004 2 1337 164 164 TYR HB3 H 2.988 0.004 2 1338 164 164 TYR HD1 H 7.136 0.010 3 1339 164 164 TYR HD2 H 7.136 0.010 3 1340 164 164 TYR CA C 59.297 0.150 1 1341 164 164 TYR CB C 39.270 0.158 1 1342 164 164 TYR N N 124.565 0.062 1 stop_ save_